USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 386 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 46 ASN : amide:sc= 0.0193 K(o=0.19,f=-1.2) USER MOD Set 1.2: A 49 GLN : amide:sc= 0.172 K(o=0.19,f=-1.2) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= -0.0327 USER MOD Set 2.2: A 17 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : A 19 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0328 X(o=-0.033,f=-0.033) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 34 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 37 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.056) USER MOD Single : A 56 ASN : amide:sc= -0.0163 K(o=-0.016,f=-1.4!) USER MOD Single : A 57 LYS NZ :NH3+ -107:sc= 0.741 (180deg=0.0271) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 8.730 -0.532 -6.430 1.00 0.00 N ATOM 183 CA PHE A 13 8.570 0.628 -5.595 1.00 0.00 C ATOM 184 C PHE A 13 9.909 1.303 -5.518 1.00 0.00 C ATOM 185 O PHE A 13 10.939 0.716 -5.850 1.00 0.00 O ATOM 186 CB PHE A 13 8.127 0.298 -4.147 1.00 0.00 C ATOM 187 CG PHE A 13 6.808 -0.435 -4.143 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.718 -1.814 -4.419 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.627 0.272 -3.868 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.472 -2.454 -4.474 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.387 -0.370 -3.901 1.00 0.00 C ATOM 192 CZ PHE A 13 4.303 -1.727 -4.220 1.00 0.00 C ATOM 0 HA PHE A 13 7.790 1.248 -6.036 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.888 -0.311 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.038 1.219 -3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.619 -2.384 -4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.678 1.324 -3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.414 -3.506 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.488 0.186 -3.679 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.340 -2.214 -4.271 1.00 0.00 H new ATOM 202 N THR A 14 9.900 2.573 -5.066 1.00 0.00 N ATOM 203 CA THR A 14 11.084 3.356 -4.810 1.00 0.00 C ATOM 204 C THR A 14 11.121 3.527 -3.318 1.00 0.00 C ATOM 205 O THR A 14 10.279 2.987 -2.609 1.00 0.00 O ATOM 206 CB THR A 14 11.138 4.695 -5.544 1.00 0.00 C ATOM 207 OG1 THR A 14 10.063 5.561 -5.196 1.00 0.00 O ATOM 208 CG2 THR A 14 11.118 4.449 -7.065 1.00 0.00 C ATOM 0 H THR A 14 9.036 3.079 -4.870 1.00 0.00 H new ATOM 0 HA THR A 14 11.962 2.840 -5.197 1.00 0.00 H new ATOM 0 HB THR A 14 12.063 5.187 -5.242 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.147 6.402 -5.692 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.156 5.404 -7.589 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.981 3.845 -7.347 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.203 3.923 -7.337 1.00 0.00 H new ATOM 216 N ALA A 15 12.099 4.301 -2.798 1.00 0.00 N ATOM 217 CA ALA A 15 12.251 4.556 -1.383 1.00 0.00 C ATOM 218 C ALA A 15 11.146 5.452 -0.884 1.00 0.00 C ATOM 219 O ALA A 15 10.724 5.345 0.266 1.00 0.00 O ATOM 220 CB ALA A 15 13.595 5.239 -1.070 1.00 0.00 C ATOM 0 H ALA A 15 12.804 4.763 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 15 12.212 3.588 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.673 5.414 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.414 4.596 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.651 6.191 -1.598 1.00 0.00 H new ATOM 226 N GLU A 16 10.646 6.343 -1.773 1.00 0.00 N ATOM 227 CA GLU A 16 9.616 7.311 -1.508 1.00 0.00 C ATOM 228 C GLU A 16 8.252 6.677 -1.473 1.00 0.00 C ATOM 229 O GLU A 16 7.339 7.198 -0.835 1.00 0.00 O ATOM 230 CB GLU A 16 9.591 8.387 -2.615 1.00 0.00 C ATOM 231 CG GLU A 16 10.914 9.164 -2.726 1.00 0.00 C ATOM 232 CD GLU A 16 10.796 10.219 -3.825 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.613 9.826 -5.007 1.00 0.00 O ATOM 234 OE2 GLU A 16 10.889 11.432 -3.497 1.00 0.00 O ATOM 0 H GLU A 16 10.983 6.388 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 16 9.844 7.751 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.374 7.912 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.780 9.087 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.149 9.640 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.732 8.480 -2.951 1.00 0.00 H new ATOM 241 N GLN A 17 8.085 5.532 -2.172 1.00 0.00 N ATOM 242 CA GLN A 17 6.814 4.865 -2.299 1.00 0.00 C ATOM 243 C GLN A 17 6.626 3.945 -1.126 1.00 0.00 C ATOM 244 O GLN A 17 5.586 3.997 -0.473 1.00 0.00 O ATOM 245 CB GLN A 17 6.680 4.120 -3.648 1.00 0.00 C ATOM 246 CG GLN A 17 6.663 5.106 -4.831 1.00 0.00 C ATOM 247 CD GLN A 17 6.526 4.372 -6.172 1.00 0.00 C ATOM 248 OE1 GLN A 17 7.459 3.693 -6.613 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.344 4.535 -6.840 1.00 0.00 N ATOM 0 H GLN A 17 8.846 5.059 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 17 6.020 5.612 -2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.509 3.422 -3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.764 3.529 -3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.836 5.805 -4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.581 5.694 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.603 5.106 -6.434 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.203 4.085 -7.745 1.00 0.00 H new ATOM 258 N LEU A 18 7.659 3.126 -0.801 1.00 0.00 N ATOM 259 CA LEU A 18 7.704 2.213 0.321 1.00 0.00 C ATOM 260 C LEU A 18 7.358 2.866 1.638 1.00 0.00 C ATOM 261 O LEU A 18 6.515 2.352 2.371 1.00 0.00 O ATOM 262 CB LEU A 18 9.118 1.603 0.488 1.00 0.00 C ATOM 263 CG LEU A 18 9.541 0.607 -0.617 1.00 0.00 C ATOM 264 CD1 LEU A 18 11.052 0.317 -0.553 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.727 -0.696 -0.587 1.00 0.00 C ATOM 0 H LEU A 18 8.515 3.099 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 18 6.961 1.451 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.845 2.415 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.165 1.094 1.451 1.00 0.00 H new ATOM 0 HG LEU A 18 9.322 1.089 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.321 -0.386 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.607 1.245 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.299 -0.114 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.068 -1.356 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.864 -1.189 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.671 -0.469 -0.731 1.00 0.00 H new ATOM 277 N GLN A 19 8.007 4.017 1.956 1.00 0.00 N ATOM 278 CA GLN A 19 7.958 4.665 3.251 1.00 0.00 C ATOM 279 C GLN A 19 6.585 5.128 3.645 1.00 0.00 C ATOM 280 O GLN A 19 6.208 5.052 4.814 1.00 0.00 O ATOM 281 CB GLN A 19 8.975 5.829 3.378 1.00 0.00 C ATOM 282 CG GLN A 19 8.840 7.014 2.395 1.00 0.00 C ATOM 283 CD GLN A 19 7.851 8.087 2.876 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.559 8.211 4.071 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.338 8.896 1.898 1.00 0.00 N ATOM 0 H GLN A 19 8.590 4.517 1.284 1.00 0.00 H new ATOM 0 HA GLN A 19 8.245 3.883 3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.906 6.225 4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.976 5.413 3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.819 7.470 2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.515 6.638 1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.609 8.755 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.685 9.640 2.142 1.00 0.00 H new ATOM 294 N ARG A 20 5.804 5.603 2.655 1.00 0.00 N ATOM 295 CA ARG A 20 4.477 6.123 2.856 1.00 0.00 C ATOM 296 C ARG A 20 3.495 5.008 3.107 1.00 0.00 C ATOM 297 O ARG A 20 2.588 5.155 3.921 1.00 0.00 O ATOM 298 CB ARG A 20 3.989 6.951 1.649 1.00 0.00 C ATOM 299 CG ARG A 20 2.806 7.861 2.013 1.00 0.00 C ATOM 300 CD ARG A 20 2.161 8.568 0.813 1.00 0.00 C ATOM 301 NE ARG A 20 1.569 7.545 -0.112 1.00 0.00 N ATOM 302 CZ ARG A 20 0.395 6.885 0.128 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.389 7.185 1.203 1.00 0.00 N ATOM 304 NH2 ARG A 20 0.002 5.906 -0.738 1.00 0.00 N ATOM 0 H ARG A 20 6.103 5.627 1.680 1.00 0.00 H new ATOM 0 HA ARG A 20 4.530 6.775 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.811 7.559 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.694 6.278 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.047 7.265 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.147 8.614 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.387 9.255 1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.906 9.164 0.285 1.00 0.00 H new ATOM 0 HE ARG A 20 2.073 7.329 -0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.105 7.918 1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.260 6.676 1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.580 5.678 -1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.870 5.402 -0.577 1.00 0.00 H new ATOM 318 N LEU A 21 3.671 3.851 2.422 1.00 0.00 N ATOM 319 CA LEU A 21 2.800 2.696 2.537 1.00 0.00 C ATOM 320 C LEU A 21 2.942 1.994 3.859 1.00 0.00 C ATOM 321 O LEU A 21 2.042 1.270 4.270 1.00 0.00 O ATOM 322 CB LEU A 21 3.103 1.634 1.462 1.00 0.00 C ATOM 323 CG LEU A 21 2.896 2.144 0.026 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.578 1.220 -0.994 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.408 2.363 -0.314 1.00 0.00 C ATOM 0 H LEU A 21 4.441 3.710 1.768 1.00 0.00 H new ATOM 0 HA LEU A 21 1.795 3.102 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.133 1.297 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.464 0.767 1.628 1.00 0.00 H new ATOM 0 HG LEU A 21 3.374 3.122 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.415 1.606 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.648 1.180 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.156 0.218 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.318 2.723 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.869 1.421 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.984 3.100 0.368 1.00 0.00 H new ATOM 337 N LYS A 22 4.085 2.197 4.553 1.00 0.00 N ATOM 338 CA LYS A 22 4.361 1.632 5.855 1.00 0.00 C ATOM 339 C LYS A 22 3.668 2.427 6.927 1.00 0.00 C ATOM 340 O LYS A 22 3.439 1.919 8.023 1.00 0.00 O ATOM 341 CB LYS A 22 5.879 1.605 6.131 1.00 0.00 C ATOM 342 CG LYS A 22 6.589 0.573 5.243 1.00 0.00 C ATOM 343 CD LYS A 22 8.046 0.915 4.908 1.00 0.00 C ATOM 344 CE LYS A 22 8.980 0.947 6.123 1.00 0.00 C ATOM 345 NZ LYS A 22 10.366 1.268 5.709 1.00 0.00 N ATOM 0 H LYS A 22 4.847 2.775 4.198 1.00 0.00 H new ATOM 0 HA LYS A 22 3.984 0.609 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.301 2.594 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.056 1.368 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.562 -0.396 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.031 0.468 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.424 0.184 4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.075 1.887 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.628 1.689 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.960 -0.018 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.983 1.285 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.706 0.545 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.383 2.200 5.247 1.00 0.00 H new ATOM 359 N ALA A 23 3.281 3.687 6.612 1.00 0.00 N ATOM 360 CA ALA A 23 2.477 4.522 7.475 1.00 0.00 C ATOM 361 C ALA A 23 1.023 4.144 7.333 1.00 0.00 C ATOM 362 O ALA A 23 0.258 4.251 8.291 1.00 0.00 O ATOM 363 CB ALA A 23 2.621 6.023 7.156 1.00 0.00 C ATOM 0 H ALA A 23 3.533 4.139 5.733 1.00 0.00 H new ATOM 0 HA ALA A 23 2.832 4.357 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.995 6.601 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.662 6.323 7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.308 6.208 6.128 1.00 0.00 H new ATOM 369 N GLU A 24 0.619 3.666 6.127 1.00 0.00 N ATOM 370 CA GLU A 24 -0.723 3.202 5.847 1.00 0.00 C ATOM 371 C GLU A 24 -0.948 1.859 6.491 1.00 0.00 C ATOM 372 O GLU A 24 -2.055 1.565 6.932 1.00 0.00 O ATOM 373 CB GLU A 24 -1.023 3.044 4.331 1.00 0.00 C ATOM 374 CG GLU A 24 -0.805 4.318 3.495 1.00 0.00 C ATOM 375 CD GLU A 24 -1.688 5.460 3.993 1.00 0.00 C ATOM 376 OE1 GLU A 24 -2.935 5.349 3.861 1.00 0.00 O ATOM 377 OE2 GLU A 24 -1.124 6.464 4.506 1.00 0.00 O ATOM 0 H GLU A 24 1.244 3.600 5.323 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.387 3.966 6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.392 2.251 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.057 2.720 4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.242 4.615 3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.027 4.112 2.448 1.00 0.00 H new ATOM 384 N PHE A 25 0.127 1.030 6.572 1.00 0.00 N ATOM 385 CA PHE A 25 0.134 -0.289 7.162 1.00 0.00 C ATOM 386 C PHE A 25 -0.079 -0.183 8.650 1.00 0.00 C ATOM 387 O PHE A 25 -0.851 -0.944 9.232 1.00 0.00 O ATOM 388 CB PHE A 25 1.492 -1.009 6.890 1.00 0.00 C ATOM 389 CG PHE A 25 1.444 -2.484 7.216 1.00 0.00 C ATOM 390 CD1 PHE A 25 1.616 -2.949 8.534 1.00 0.00 C ATOM 391 CD2 PHE A 25 1.226 -3.421 6.194 1.00 0.00 C ATOM 392 CE1 PHE A 25 1.499 -4.314 8.829 1.00 0.00 C ATOM 393 CE2 PHE A 25 1.116 -4.786 6.483 1.00 0.00 C ATOM 394 CZ PHE A 25 1.227 -5.230 7.805 1.00 0.00 C ATOM 0 H PHE A 25 1.040 1.297 6.205 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.671 -0.870 6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.763 -0.881 5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.275 -0.535 7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.840 -2.248 9.324 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.142 -3.084 5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.618 -4.659 9.845 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.946 -5.495 5.687 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.103 -6.278 8.036 1.00 0.00 H new ATOM 404 N GLN A 26 0.627 0.787 9.282 1.00 0.00 N ATOM 405 CA GLN A 26 0.726 0.975 10.707 1.00 0.00 C ATOM 406 C GLN A 26 -0.608 1.252 11.338 1.00 0.00 C ATOM 407 O GLN A 26 -0.945 0.668 12.368 1.00 0.00 O ATOM 408 CB GLN A 26 1.671 2.161 11.022 1.00 0.00 C ATOM 409 CG GLN A 26 1.982 2.393 12.513 1.00 0.00 C ATOM 410 CD GLN A 26 2.655 1.160 13.130 1.00 0.00 C ATOM 411 OE1 GLN A 26 2.070 0.488 13.987 1.00 0.00 O ATOM 412 NE2 GLN A 26 3.914 0.871 12.677 1.00 0.00 N ATOM 0 H GLN A 26 1.162 1.483 8.763 1.00 0.00 H new ATOM 0 HA GLN A 26 1.119 0.046 11.121 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.612 2.002 10.495 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.229 3.071 10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.633 3.260 12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.060 2.616 13.050 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.349 1.461 11.967 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.417 0.066 13.049 1.00 0.00 H new ATOM 421 N THR A 27 -1.400 2.153 10.714 1.00 0.00 N ATOM 422 CA THR A 27 -2.667 2.599 11.243 1.00 0.00 C ATOM 423 C THR A 27 -3.698 1.538 10.996 1.00 0.00 C ATOM 424 O THR A 27 -4.172 0.880 11.921 1.00 0.00 O ATOM 425 CB THR A 27 -3.129 3.919 10.640 1.00 0.00 C ATOM 426 OG1 THR A 27 -2.076 4.875 10.679 1.00 0.00 O ATOM 427 CG2 THR A 27 -4.346 4.473 11.413 1.00 0.00 C ATOM 0 H THR A 27 -1.157 2.583 9.822 1.00 0.00 H new ATOM 0 HA THR A 27 -2.537 2.771 12.311 1.00 0.00 H new ATOM 0 HB THR A 27 -3.415 3.735 9.604 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.385 5.718 10.287 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.661 5.416 10.967 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.166 3.756 11.363 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.071 4.638 12.455 1.00 0.00 H new ATOM 435 N ASN A 28 -4.057 1.378 9.711 1.00 0.00 N ATOM 436 CA ASN A 28 -5.166 0.596 9.270 1.00 0.00 C ATOM 437 C ASN A 28 -4.657 -0.616 8.561 1.00 0.00 C ATOM 438 O ASN A 28 -3.837 -0.538 7.650 1.00 0.00 O ATOM 439 CB ASN A 28 -6.034 1.384 8.268 1.00 0.00 C ATOM 440 CG ASN A 28 -6.871 2.426 9.022 1.00 0.00 C ATOM 441 OD1 ASN A 28 -7.768 2.063 9.792 1.00 0.00 O ATOM 442 ND2 ASN A 28 -6.564 3.738 8.793 1.00 0.00 N ATOM 0 H ASN A 28 -3.548 1.816 8.943 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.761 0.331 10.144 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.400 1.876 7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.687 0.703 7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.086 4.474 9.268 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.813 3.981 8.147 1.00 0.00 H new ATOM 449 N ARG A 29 -5.210 -1.772 8.973 1.00 0.00 N ATOM 450 CA ARG A 29 -5.189 -3.005 8.220 1.00 0.00 C ATOM 451 C ARG A 29 -6.575 -3.229 7.691 1.00 0.00 C ATOM 452 O ARG A 29 -6.833 -4.200 6.981 1.00 0.00 O ATOM 453 CB ARG A 29 -4.741 -4.220 9.057 1.00 0.00 C ATOM 454 CG ARG A 29 -3.277 -4.152 9.537 1.00 0.00 C ATOM 455 CD ARG A 29 -2.207 -4.495 8.483 1.00 0.00 C ATOM 456 NE ARG A 29 -2.093 -3.385 7.477 1.00 0.00 N ATOM 457 CZ ARG A 29 -2.270 -3.547 6.128 1.00 0.00 C ATOM 458 NH1 ARG A 29 -2.343 -4.782 5.556 1.00 0.00 N ATOM 459 NH2 ARG A 29 -2.397 -2.435 5.345 1.00 0.00 N ATOM 0 H ARG A 29 -5.694 -1.859 9.867 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.458 -2.910 7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.393 -4.308 9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.876 -5.125 8.464 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.083 -3.146 9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.160 -4.832 10.381 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.245 -4.654 8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.468 -5.426 7.980 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.869 -2.451 7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.265 -5.618 6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.475 -4.870 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.359 -1.507 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.530 -2.532 4.338 1.00 0.00 H new ATOM 473 N TYR A 30 -7.482 -2.272 7.995 1.00 0.00 N ATOM 474 CA TYR A 30 -8.784 -2.117 7.412 1.00 0.00 C ATOM 475 C TYR A 30 -8.597 -1.316 6.147 1.00 0.00 C ATOM 476 O TYR A 30 -8.886 -0.122 6.089 1.00 0.00 O ATOM 477 CB TYR A 30 -9.714 -1.325 8.355 1.00 0.00 C ATOM 478 CG TYR A 30 -9.923 -2.084 9.637 1.00 0.00 C ATOM 479 CD1 TYR A 30 -10.744 -3.224 9.660 1.00 0.00 C ATOM 480 CD2 TYR A 30 -9.295 -1.672 10.825 1.00 0.00 C ATOM 481 CE1 TYR A 30 -10.936 -3.940 10.851 1.00 0.00 C ATOM 482 CE2 TYR A 30 -9.483 -2.385 12.016 1.00 0.00 C ATOM 483 CZ TYR A 30 -10.305 -3.520 12.030 1.00 0.00 C ATOM 484 OH TYR A 30 -10.498 -4.242 13.229 1.00 0.00 O ATOM 0 H TYR A 30 -7.288 -1.559 8.698 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.231 -3.093 7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.281 -0.348 8.569 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.673 -1.149 7.868 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.231 -3.552 8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.661 -0.797 10.820 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -11.570 -4.814 10.859 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.995 -2.060 12.923 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.989 -3.818 13.951 1.00 0.00 H new ATOM 494 N LEU A 31 -8.067 -1.993 5.108 1.00 0.00 N ATOM 495 CA LEU A 31 -7.665 -1.412 3.858 1.00 0.00 C ATOM 496 C LEU A 31 -8.818 -1.641 2.920 1.00 0.00 C ATOM 497 O LEU A 31 -9.222 -2.781 2.695 1.00 0.00 O ATOM 498 CB LEU A 31 -6.380 -2.117 3.355 1.00 0.00 C ATOM 499 CG LEU A 31 -5.462 -1.329 2.392 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.113 -0.938 1.059 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.791 -0.107 3.046 1.00 0.00 C ATOM 0 H LEU A 31 -7.910 -3.000 5.142 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.437 -0.349 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.789 -2.400 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.676 -3.040 2.857 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.682 -2.051 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.394 -0.389 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.426 -1.838 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.982 -0.309 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.162 0.398 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.557 0.581 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.178 -0.434 3.886 1.00 0.00 H new ATOM 513 N THR A 32 -9.397 -0.541 2.384 1.00 0.00 N ATOM 514 CA THR A 32 -10.610 -0.579 1.598 1.00 0.00 C ATOM 515 C THR A 32 -10.217 -0.502 0.157 1.00 0.00 C ATOM 516 O THR A 32 -9.050 -0.310 -0.159 1.00 0.00 O ATOM 517 CB THR A 32 -11.625 0.499 1.976 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.205 1.817 1.646 1.00 0.00 O ATOM 519 CG2 THR A 32 -11.823 0.439 3.497 1.00 0.00 C ATOM 0 H THR A 32 -9.016 0.398 2.498 1.00 0.00 H new ATOM 0 HA THR A 32 -11.132 -1.513 1.804 1.00 0.00 H new ATOM 0 HB THR A 32 -12.537 0.299 1.414 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.898 2.457 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.544 1.198 3.800 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.195 -0.547 3.777 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.871 0.623 3.995 1.00 0.00 H new ATOM 527 N GLU A 33 -11.203 -0.645 -0.756 1.00 0.00 N ATOM 528 CA GLU A 33 -11.003 -0.482 -2.177 1.00 0.00 C ATOM 529 C GLU A 33 -10.848 0.979 -2.522 1.00 0.00 C ATOM 530 O GLU A 33 -10.263 1.315 -3.549 1.00 0.00 O ATOM 531 CB GLU A 33 -12.157 -1.087 -3.014 1.00 0.00 C ATOM 532 CG GLU A 33 -13.554 -0.513 -2.701 1.00 0.00 C ATOM 533 CD GLU A 33 -14.603 -1.222 -3.554 1.00 0.00 C ATOM 534 OE1 GLU A 33 -14.529 -1.099 -4.807 1.00 0.00 O ATOM 535 OE2 GLU A 33 -15.492 -1.895 -2.968 1.00 0.00 O ATOM 0 H GLU A 33 -12.163 -0.879 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.091 -1.024 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.943 -0.927 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.178 -2.165 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.783 -0.643 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.571 0.558 -2.902 1.00 0.00 H new ATOM 542 N GLN A 34 -11.374 1.872 -1.648 1.00 0.00 N ATOM 543 CA GLN A 34 -11.438 3.294 -1.862 1.00 0.00 C ATOM 544 C GLN A 34 -10.157 3.936 -1.408 1.00 0.00 C ATOM 545 O GLN A 34 -9.681 4.898 -2.008 1.00 0.00 O ATOM 546 CB GLN A 34 -12.632 3.910 -1.097 1.00 0.00 C ATOM 547 CG GLN A 34 -12.872 5.408 -1.354 1.00 0.00 C ATOM 548 CD GLN A 34 -13.151 5.649 -2.843 1.00 0.00 C ATOM 549 OE1 GLN A 34 -14.144 5.148 -3.384 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.249 6.433 -3.512 1.00 0.00 N ATOM 0 H GLN A 34 -11.772 1.588 -0.753 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.578 3.477 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.536 3.362 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.474 3.762 -0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.715 5.757 -0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.000 5.983 -1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.446 6.822 -3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.380 6.628 -4.505 1.00 0.00 H new ATOM 559 N ARG A 35 -9.547 3.375 -0.341 1.00 0.00 N ATOM 560 CA ARG A 35 -8.252 3.761 0.158 1.00 0.00 C ATOM 561 C ARG A 35 -7.209 3.291 -0.797 1.00 0.00 C ATOM 562 O ARG A 35 -6.318 4.056 -1.142 1.00 0.00 O ATOM 563 CB ARG A 35 -7.903 3.065 1.486 1.00 0.00 C ATOM 564 CG ARG A 35 -8.564 3.717 2.710 1.00 0.00 C ATOM 565 CD ARG A 35 -8.438 2.909 4.006 1.00 0.00 C ATOM 566 NE ARG A 35 -6.984 2.672 4.257 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.184 3.487 5.012 1.00 0.00 C ATOM 568 NH1 ARG A 35 -6.683 4.589 5.640 1.00 0.00 N ATOM 569 NH2 ARG A 35 -4.854 3.191 5.127 1.00 0.00 N ATOM 0 H ARG A 35 -9.973 2.621 0.198 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.281 4.843 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.209 2.020 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.821 3.074 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.121 4.701 2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.621 3.874 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.886 3.451 4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.970 1.962 3.919 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.558 1.846 3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.672 4.821 5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.067 5.181 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.471 2.373 4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.245 3.789 5.686 1.00 0.00 H new ATOM 583 N ARG A 36 -7.318 2.009 -1.218 1.00 0.00 N ATOM 584 CA ARG A 36 -6.366 1.316 -2.066 1.00 0.00 C ATOM 585 C ARG A 36 -6.117 2.014 -3.376 1.00 0.00 C ATOM 586 O ARG A 36 -4.985 2.062 -3.856 1.00 0.00 O ATOM 587 CB ARG A 36 -6.835 -0.117 -2.402 1.00 0.00 C ATOM 588 CG ARG A 36 -5.778 -0.985 -3.097 1.00 0.00 C ATOM 589 CD ARG A 36 -6.267 -2.414 -3.384 1.00 0.00 C ATOM 590 NE ARG A 36 -6.498 -3.150 -2.097 1.00 0.00 N ATOM 591 CZ ARG A 36 -5.487 -3.758 -1.405 1.00 0.00 C ATOM 592 NH1 ARG A 36 -4.202 -3.717 -1.863 1.00 0.00 N ATOM 593 NH2 ARG A 36 -5.765 -4.414 -0.240 1.00 0.00 N ATOM 0 H ARG A 36 -8.109 1.421 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.446 1.300 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.143 -0.610 -1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.716 -0.057 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.487 -0.512 -4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.886 -1.031 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.190 -2.381 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.530 -2.944 -3.988 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.446 -3.199 -1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.986 -3.228 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.458 -4.175 -1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.723 -4.449 0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.015 -4.869 0.280 1.00 0.00 H new ATOM 607 N GLN A 37 -7.188 2.582 -3.974 1.00 0.00 N ATOM 608 CA GLN A 37 -7.115 3.230 -5.265 1.00 0.00 C ATOM 609 C GLN A 37 -6.669 4.660 -5.124 1.00 0.00 C ATOM 610 O GLN A 37 -6.377 5.316 -6.121 1.00 0.00 O ATOM 611 CB GLN A 37 -8.461 3.230 -6.025 1.00 0.00 C ATOM 612 CG GLN A 37 -9.541 4.100 -5.364 1.00 0.00 C ATOM 613 CD GLN A 37 -10.903 3.850 -6.022 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.784 3.205 -5.441 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.066 4.384 -7.271 1.00 0.00 N ATOM 0 H GLN A 37 -8.120 2.594 -3.559 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.392 2.649 -5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.294 3.584 -7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.827 2.206 -6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.597 3.875 -4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.274 5.153 -5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.306 4.908 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.948 4.258 -7.768 1.00 0.00 H new ATOM 624 N SER A 38 -6.604 5.171 -3.870 1.00 0.00 N ATOM 625 CA SER A 38 -6.157 6.510 -3.576 1.00 0.00 C ATOM 626 C SER A 38 -4.689 6.442 -3.259 1.00 0.00 C ATOM 627 O SER A 38 -3.980 7.437 -3.383 1.00 0.00 O ATOM 628 CB SER A 38 -6.915 7.101 -2.372 1.00 0.00 C ATOM 629 OG SER A 38 -6.666 8.494 -2.204 1.00 0.00 O ATOM 0 H SER A 38 -6.869 4.640 -3.040 1.00 0.00 H new ATOM 0 HA SER A 38 -6.347 7.153 -4.435 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.985 6.939 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.622 6.570 -1.466 1.00 0.00 H new ATOM 0 HG SER A 38 -7.168 8.825 -1.430 1.00 0.00 H new ATOM 635 N LEU A 39 -4.195 5.236 -2.877 1.00 0.00 N ATOM 636 CA LEU A 39 -2.786 4.969 -2.708 1.00 0.00 C ATOM 637 C LEU A 39 -2.221 4.778 -4.090 1.00 0.00 C ATOM 638 O LEU A 39 -1.060 5.093 -4.353 1.00 0.00 O ATOM 639 CB LEU A 39 -2.455 3.676 -1.912 1.00 0.00 C ATOM 640 CG LEU A 39 -3.162 3.466 -0.551 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.541 2.279 0.213 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.251 4.714 0.347 1.00 0.00 C ATOM 0 H LEU A 39 -4.788 4.430 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.368 5.803 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.691 2.822 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.379 3.656 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.196 3.238 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.054 2.151 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.645 1.370 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.484 2.475 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.763 4.459 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.247 5.072 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.806 5.496 -0.171 1.00 0.00 H new ATOM 654 N ALA A 40 -3.082 4.260 -5.006 1.00 0.00 N ATOM 655 CA ALA A 40 -2.765 4.051 -6.395 1.00 0.00 C ATOM 656 C ALA A 40 -2.770 5.350 -7.149 1.00 0.00 C ATOM 657 O ALA A 40 -2.104 5.483 -8.172 1.00 0.00 O ATOM 658 CB ALA A 40 -3.767 3.110 -7.083 1.00 0.00 C ATOM 0 H ALA A 40 -4.032 3.978 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.773 3.600 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.487 2.982 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.758 2.141 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.768 3.539 -7.025 1.00 0.00 H new ATOM 664 N GLN A 41 -3.527 6.355 -6.651 1.00 0.00 N ATOM 665 CA GLN A 41 -3.616 7.652 -7.272 1.00 0.00 C ATOM 666 C GLN A 41 -2.385 8.452 -6.932 1.00 0.00 C ATOM 667 O GLN A 41 -1.913 9.259 -7.732 1.00 0.00 O ATOM 668 CB GLN A 41 -4.865 8.415 -6.764 1.00 0.00 C ATOM 669 CG GLN A 41 -5.137 9.757 -7.465 1.00 0.00 C ATOM 670 CD GLN A 41 -6.393 10.405 -6.868 1.00 0.00 C ATOM 671 OE1 GLN A 41 -6.303 11.428 -6.179 1.00 0.00 O ATOM 672 NE2 GLN A 41 -7.582 9.786 -7.145 1.00 0.00 N ATOM 0 H GLN A 41 -4.087 6.266 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.695 7.517 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.738 7.774 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.751 8.597 -5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.281 10.421 -7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.271 9.599 -8.535 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.597 8.944 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.453 10.167 -6.777 1.00 0.00 H new ATOM 681 N GLU A 42 -1.852 8.238 -5.706 1.00 0.00 N ATOM 682 CA GLU A 42 -0.959 9.164 -5.063 1.00 0.00 C ATOM 683 C GLU A 42 0.465 8.992 -5.473 1.00 0.00 C ATOM 684 O GLU A 42 1.063 9.888 -6.067 1.00 0.00 O ATOM 685 CB GLU A 42 -1.068 9.051 -3.529 1.00 0.00 C ATOM 686 CG GLU A 42 -0.344 10.170 -2.759 1.00 0.00 C ATOM 687 CD GLU A 42 -0.711 10.157 -1.272 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.588 9.351 -0.866 1.00 0.00 O ATOM 689 OE2 GLU A 42 -0.109 10.972 -0.522 1.00 0.00 O ATOM 0 H GLU A 42 -2.046 7.404 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.272 10.156 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.122 9.057 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.661 8.089 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.734 10.051 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.604 11.137 -3.190 1.00 0.00 H new ATOM 696 N LEU A 43 1.028 7.808 -5.164 1.00 0.00 N ATOM 697 CA LEU A 43 2.380 7.432 -5.491 1.00 0.00 C ATOM 698 C LEU A 43 2.440 7.130 -6.950 1.00 0.00 C ATOM 699 O LEU A 43 3.470 7.289 -7.604 1.00 0.00 O ATOM 700 CB LEU A 43 2.766 6.152 -4.730 1.00 0.00 C ATOM 701 CG LEU A 43 2.726 6.344 -3.204 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.866 5.000 -2.474 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.771 7.365 -2.713 1.00 0.00 C ATOM 0 H LEU A 43 0.522 7.077 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 43 3.058 8.242 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.087 5.347 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.768 5.843 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 43 1.748 6.759 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.834 5.166 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.047 4.341 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.816 4.538 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.702 7.464 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.770 7.022 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.582 8.332 -3.179 1.00 0.00 H new ATOM 715 N GLY A 44 1.275 6.706 -7.472 1.00 0.00 N ATOM 716 CA GLY A 44 1.072 6.456 -8.876 1.00 0.00 C ATOM 717 C GLY A 44 1.282 4.999 -9.102 1.00 0.00 C ATOM 718 O GLY A 44 1.938 4.593 -10.060 1.00 0.00 O ATOM 0 H GLY A 44 0.446 6.530 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.067 6.750 -9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.769 7.042 -9.475 1.00 0.00 H new ATOM 722 N LEU A 45 0.702 4.181 -8.196 1.00 0.00 N ATOM 723 CA LEU A 45 0.759 2.736 -8.287 1.00 0.00 C ATOM 724 C LEU A 45 -0.488 2.285 -9.004 1.00 0.00 C ATOM 725 O LEU A 45 -1.218 3.091 -9.580 1.00 0.00 O ATOM 726 CB LEU A 45 0.828 2.048 -6.898 1.00 0.00 C ATOM 727 CG LEU A 45 2.068 2.435 -6.059 1.00 0.00 C ATOM 728 CD1 LEU A 45 1.797 2.184 -4.565 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.347 1.720 -6.527 1.00 0.00 C ATOM 0 H LEU A 45 0.184 4.522 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 45 1.667 2.455 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.071 2.300 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.822 0.967 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 45 2.246 3.500 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.677 2.460 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.947 2.785 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.575 1.128 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.186 2.029 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.212 0.642 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.551 1.982 -7.565 1.00 0.00 H new ATOM 741 N ASN A 46 -0.760 0.963 -8.975 1.00 0.00 N ATOM 742 CA ASN A 46 -2.049 0.406 -9.297 1.00 0.00 C ATOM 743 C ASN A 46 -2.511 -0.177 -7.998 1.00 0.00 C ATOM 744 O ASN A 46 -1.825 -0.069 -6.984 1.00 0.00 O ATOM 745 CB ASN A 46 -2.011 -0.712 -10.373 1.00 0.00 C ATOM 746 CG ASN A 46 -1.536 -0.147 -11.720 1.00 0.00 C ATOM 747 OD1 ASN A 46 -0.529 -0.605 -12.274 1.00 0.00 O ATOM 748 ND2 ASN A 46 -2.294 0.858 -12.254 1.00 0.00 N ATOM 0 H ASN A 46 -0.066 0.260 -8.721 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.697 1.174 -9.720 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.343 -1.511 -10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.003 -1.151 -10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.038 1.268 -13.152 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.115 1.198 -11.754 1.00 0.00 H new ATOM 755 N GLU A 47 -3.703 -0.810 -7.993 1.00 0.00 N ATOM 756 CA GLU A 47 -4.249 -1.503 -6.851 1.00 0.00 C ATOM 757 C GLU A 47 -3.512 -2.787 -6.640 1.00 0.00 C ATOM 758 O GLU A 47 -3.203 -3.182 -5.517 1.00 0.00 O ATOM 759 CB GLU A 47 -5.732 -1.867 -7.067 1.00 0.00 C ATOM 760 CG GLU A 47 -6.572 -0.602 -7.267 1.00 0.00 C ATOM 761 CD GLU A 47 -8.033 -0.889 -6.936 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.678 -1.641 -7.714 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.521 -0.372 -5.895 1.00 0.00 O ATOM 0 H GLU A 47 -4.311 -0.843 -8.811 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.151 -0.837 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.830 -2.517 -7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.104 -2.426 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.196 0.198 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.485 -0.257 -8.297 1.00 0.00 H new ATOM 770 N SER A 48 -3.228 -3.438 -7.782 1.00 0.00 N ATOM 771 CA SER A 48 -2.694 -4.773 -7.922 1.00 0.00 C ATOM 772 C SER A 48 -1.297 -4.902 -7.377 1.00 0.00 C ATOM 773 O SER A 48 -0.907 -5.972 -6.912 1.00 0.00 O ATOM 774 CB SER A 48 -2.657 -5.219 -9.401 1.00 0.00 C ATOM 775 OG SER A 48 -3.962 -5.192 -9.962 1.00 0.00 O ATOM 0 H SER A 48 -3.383 -2.998 -8.689 1.00 0.00 H new ATOM 0 HA SER A 48 -3.367 -5.408 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.997 -4.563 -9.968 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.245 -6.225 -9.473 1.00 0.00 H new ATOM 0 HG SER A 48 -3.921 -5.475 -10.899 1.00 0.00 H new ATOM 781 N GLN A 49 -0.515 -3.797 -7.412 1.00 0.00 N ATOM 782 CA GLN A 49 0.844 -3.746 -6.944 1.00 0.00 C ATOM 783 C GLN A 49 0.898 -3.788 -5.440 1.00 0.00 C ATOM 784 O GLN A 49 1.826 -4.357 -4.866 1.00 0.00 O ATOM 785 CB GLN A 49 1.534 -2.441 -7.399 1.00 0.00 C ATOM 786 CG GLN A 49 1.656 -2.337 -8.930 1.00 0.00 C ATOM 787 CD GLN A 49 2.400 -1.048 -9.294 1.00 0.00 C ATOM 788 OE1 GLN A 49 3.356 -0.660 -8.613 1.00 0.00 O ATOM 789 NE2 GLN A 49 1.960 -0.385 -10.406 1.00 0.00 N ATOM 0 H GLN A 49 -0.844 -2.905 -7.781 1.00 0.00 H new ATOM 0 HA GLN A 49 1.356 -4.612 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.970 -1.587 -7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.528 -2.386 -6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.190 -3.202 -9.323 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.666 -2.340 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.166 -0.746 -10.934 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.426 0.471 -10.707 1.00 0.00 H new ATOM 798 N ILE A 50 -0.109 -3.178 -4.769 1.00 0.00 N ATOM 799 CA ILE A 50 -0.125 -3.011 -3.337 1.00 0.00 C ATOM 800 C ILE A 50 -0.691 -4.251 -2.688 1.00 0.00 C ATOM 801 O ILE A 50 -0.419 -4.506 -1.520 1.00 0.00 O ATOM 802 CB ILE A 50 -0.928 -1.805 -2.863 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.998 -0.717 -3.956 1.00 0.00 C ATOM 804 CG2 ILE A 50 -0.252 -1.272 -1.578 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.799 0.506 -3.524 1.00 0.00 C ATOM 0 H ILE A 50 -0.931 -2.792 -5.233 1.00 0.00 H new ATOM 0 HA ILE A 50 0.911 -2.841 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.957 -2.094 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.014 -0.408 -4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.447 -1.140 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.802 -0.406 -1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.252 -2.052 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.775 -0.982 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.813 1.236 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.820 0.207 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.337 0.950 -2.642 1.00 0.00 H new ATOM 817 N LYS A 51 -1.478 -5.072 -3.434 1.00 0.00 N ATOM 818 CA LYS A 51 -2.037 -6.320 -2.960 1.00 0.00 C ATOM 819 C LYS A 51 -0.942 -7.302 -2.644 1.00 0.00 C ATOM 820 O LYS A 51 -1.015 -8.029 -1.657 1.00 0.00 O ATOM 821 CB LYS A 51 -2.961 -6.971 -4.012 1.00 0.00 C ATOM 822 CG LYS A 51 -4.278 -6.208 -4.214 1.00 0.00 C ATOM 823 CD LYS A 51 -5.171 -6.807 -5.311 1.00 0.00 C ATOM 824 CE LYS A 51 -6.371 -5.918 -5.671 1.00 0.00 C ATOM 825 NZ LYS A 51 -7.272 -5.724 -4.511 1.00 0.00 N ATOM 0 H LYS A 51 -1.733 -4.860 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.614 -6.083 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.433 -7.030 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.184 -7.994 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.830 -6.196 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.053 -5.171 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.572 -6.976 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.535 -7.781 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.015 -4.949 -6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.926 -6.370 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.071 -5.119 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.631 -6.647 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.748 -5.270 -3.736 1.00 0.00 H new ATOM 839 N ILE A 52 0.124 -7.299 -3.477 1.00 0.00 N ATOM 840 CA ILE A 52 1.316 -8.084 -3.343 1.00 0.00 C ATOM 841 C ILE A 52 2.079 -7.605 -2.140 1.00 0.00 C ATOM 842 O ILE A 52 2.483 -8.407 -1.304 1.00 0.00 O ATOM 843 CB ILE A 52 2.126 -7.936 -4.627 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.377 -8.619 -5.802 1.00 0.00 C ATOM 845 CG2 ILE A 52 3.558 -8.464 -4.433 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.997 -8.345 -7.177 1.00 0.00 C ATOM 0 H ILE A 52 0.150 -6.702 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 52 1.089 -9.140 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 52 2.225 -6.880 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.358 -9.695 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.342 -8.278 -5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.117 -8.348 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.050 -7.900 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.523 -9.519 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.417 -8.856 -7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.992 -7.272 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.023 -8.711 -7.193 1.00 0.00 H new ATOM 858 N TRP A 53 2.260 -6.273 -2.042 1.00 0.00 N ATOM 859 CA TRP A 53 3.013 -5.575 -1.025 1.00 0.00 C ATOM 860 C TRP A 53 2.504 -5.809 0.379 1.00 0.00 C ATOM 861 O TRP A 53 3.304 -5.961 1.298 1.00 0.00 O ATOM 862 CB TRP A 53 3.029 -4.050 -1.324 1.00 0.00 C ATOM 863 CG TRP A 53 4.046 -3.242 -0.543 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.359 -3.005 -0.837 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.795 -2.621 0.730 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.946 -2.277 0.168 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.011 -2.037 1.146 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.655 -2.546 1.521 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.106 -1.384 2.368 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.758 -1.907 2.763 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.968 -1.341 3.183 1.00 0.00 C ATOM 0 H TRP A 53 1.852 -5.632 -2.722 1.00 0.00 H new ATOM 0 HA TRP A 53 4.023 -5.984 -1.064 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.218 -3.908 -2.388 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.037 -3.647 -1.120 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.863 -3.342 -1.731 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.917 -1.965 0.186 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.718 -2.968 1.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.031 -0.923 2.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.892 -1.850 3.406 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.024 -0.864 4.150 1.00 0.00 H new ATOM 882 N PHE A 54 1.167 -5.856 0.589 1.00 0.00 N ATOM 883 CA PHE A 54 0.566 -6.059 1.883 1.00 0.00 C ATOM 884 C PHE A 54 0.720 -7.493 2.304 1.00 0.00 C ATOM 885 O PHE A 54 0.957 -7.756 3.478 1.00 0.00 O ATOM 886 CB PHE A 54 -0.949 -5.721 1.878 1.00 0.00 C ATOM 887 CG PHE A 54 -1.209 -4.234 1.787 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.583 -3.332 2.666 1.00 0.00 C ATOM 889 CD2 PHE A 54 -2.128 -3.724 0.853 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.830 -1.957 2.583 1.00 0.00 C ATOM 891 CE2 PHE A 54 -2.384 -2.349 0.772 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.730 -1.463 1.635 1.00 0.00 C ATOM 0 H PHE A 54 0.485 -5.750 -0.162 1.00 0.00 H new ATOM 0 HA PHE A 54 1.077 -5.392 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.427 -6.223 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.409 -6.112 2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.098 -3.706 3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.644 -4.402 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.324 -1.277 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.087 -1.973 0.043 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.920 -0.402 1.569 1.00 0.00 H new ATOM 902 N GLN A 55 0.620 -8.450 1.350 1.00 0.00 N ATOM 903 CA GLN A 55 0.738 -9.865 1.601 1.00 0.00 C ATOM 904 C GLN A 55 2.176 -10.288 1.786 1.00 0.00 C ATOM 905 O GLN A 55 2.433 -11.368 2.315 1.00 0.00 O ATOM 906 CB GLN A 55 0.124 -10.686 0.447 1.00 0.00 C ATOM 907 CG GLN A 55 -1.411 -10.579 0.407 1.00 0.00 C ATOM 908 CD GLN A 55 -1.962 -11.353 -0.798 1.00 0.00 C ATOM 909 OE1 GLN A 55 -2.466 -10.754 -1.755 1.00 0.00 O ATOM 910 NE2 GLN A 55 -1.862 -12.717 -0.732 1.00 0.00 N ATOM 0 H GLN A 55 0.451 -8.230 0.368 1.00 0.00 H new ATOM 0 HA GLN A 55 0.192 -10.061 2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.535 -10.340 -0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.410 -11.732 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.835 -10.976 1.329 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.709 -9.532 0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.436 -13.158 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.213 -13.292 -1.498 1.00 0.00 H new ATOM 919 N ASN A 56 3.149 -9.432 1.388 1.00 0.00 N ATOM 920 CA ASN A 56 4.561 -9.622 1.622 1.00 0.00 C ATOM 921 C ASN A 56 4.859 -9.350 3.070 1.00 0.00 C ATOM 922 O ASN A 56 5.650 -10.058 3.686 1.00 0.00 O ATOM 923 CB ASN A 56 5.427 -8.644 0.793 1.00 0.00 C ATOM 924 CG ASN A 56 5.461 -9.039 -0.689 1.00 0.00 C ATOM 925 OD1 ASN A 56 5.048 -10.139 -1.078 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.978 -8.096 -1.535 1.00 0.00 N ATOM 0 H ASN A 56 2.943 -8.571 0.882 1.00 0.00 H new ATOM 0 HA ASN A 56 4.799 -10.646 1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.032 -7.633 0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.442 -8.629 1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.036 -8.285 -2.536 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.305 -7.204 -1.165 1.00 0.00 H new ATOM 933 N LYS A 57 4.202 -8.317 3.649 1.00 0.00 N ATOM 934 CA LYS A 57 4.294 -7.976 5.056 1.00 0.00 C ATOM 935 C LYS A 57 3.671 -9.044 5.917 1.00 0.00 C ATOM 936 O LYS A 57 4.166 -9.319 7.007 1.00 0.00 O ATOM 937 CB LYS A 57 3.619 -6.630 5.413 1.00 0.00 C ATOM 938 CG LYS A 57 4.523 -5.380 5.427 1.00 0.00 C ATOM 939 CD LYS A 57 4.883 -4.801 4.056 1.00 0.00 C ATOM 940 CE LYS A 57 6.110 -5.463 3.424 1.00 0.00 C ATOM 941 NZ LYS A 57 6.432 -4.875 2.107 1.00 0.00 N ATOM 0 H LYS A 57 3.585 -7.696 3.125 1.00 0.00 H new ATOM 0 HA LYS A 57 5.363 -7.889 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.811 -6.457 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.162 -6.730 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.027 -4.603 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.447 -5.629 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.031 -4.915 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.067 -3.732 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.966 -5.354 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.929 -6.532 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.175 -5.546 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.897 -3.992 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.451 -4.672 2.057 1.00 0.00 H new