USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 427 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 87 GLN : amide:sc= 0.615 K(o=2.3,f=-3.8) USER MOD Set 1.2: A 90 ASN : amide:sc= 1.67 K(o=2.3,f=-3.7!) USER MOD Set 2.1: A 38 SER OG : rot 139:sc= 0.551 USER MOD Set 2.2: A 49 LYS NZ :NH3+ -175:sc= 0.612 (180deg=0) USER MOD Set 3.1: A 28 THR OG1 : rot -163:sc= 0.634 USER MOD Set 3.2: A 31 GLN : amide:sc= 0.705 X(o=1.3,f=1.1) USER MOD Set 4.1: A 25 THR OG1 : rot -76:sc= 2.02 USER MOD Set 4.2: A 27 SER OG : rot -102:sc= 1.21 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.344 X(o=0.34,f=-0.05) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 178:sc= -0.224 (180deg=-0.229) USER MOD Single : A 39 THR OG1 : rot 152:sc= 0.0876 USER MOD Single : A 85 SER OG : rot -22:sc= 0.167 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.187 2.844 -1.576 1.00 0.00 N ATOM 197 CA GLU A 13 13.702 2.854 -2.951 1.00 0.00 C ATOM 198 C GLU A 13 13.895 4.293 -3.471 1.00 0.00 C ATOM 199 O GLU A 13 14.925 4.605 -4.065 1.00 0.00 O ATOM 200 CB GLU A 13 12.726 2.076 -3.845 1.00 0.00 C ATOM 201 CG GLU A 13 12.680 0.573 -3.540 1.00 0.00 C ATOM 202 CD GLU A 13 13.959 -0.157 -3.990 1.00 0.00 C ATOM 203 OE1 GLU A 13 14.052 -0.517 -5.190 1.00 0.00 O ATOM 204 OE2 GLU A 13 14.859 -0.397 -3.149 1.00 0.00 O ATOM 0 HA GLU A 13 14.682 2.377 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.726 2.493 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.009 2.218 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.539 0.427 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.818 0.130 -4.038 1.00 0.00 H new ATOM 211 N VAL A 14 12.936 5.186 -3.184 1.00 0.00 N ATOM 212 CA VAL A 14 13.001 6.619 -3.546 1.00 0.00 C ATOM 213 C VAL A 14 14.063 7.347 -2.713 1.00 0.00 C ATOM 214 O VAL A 14 14.853 8.118 -3.252 1.00 0.00 O ATOM 215 CB VAL A 14 11.619 7.293 -3.379 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.597 8.731 -3.915 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.508 6.531 -4.113 1.00 0.00 C ATOM 0 H VAL A 14 12.081 4.935 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 14 13.288 6.687 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 14 11.441 7.288 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.604 9.157 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.330 9.331 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.842 8.727 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.557 7.043 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.737 6.490 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.439 5.518 -3.717 1.00 0.00 H new ATOM 227 N ASP A 15 14.114 7.073 -1.405 1.00 0.00 N ATOM 228 CA ASP A 15 15.138 7.616 -0.495 1.00 0.00 C ATOM 229 C ASP A 15 16.565 7.190 -0.897 1.00 0.00 C ATOM 230 O ASP A 15 17.468 8.024 -0.988 1.00 0.00 O ATOM 231 CB ASP A 15 14.799 7.141 0.922 1.00 0.00 C ATOM 232 CG ASP A 15 15.892 7.482 1.945 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.156 8.690 2.147 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.440 6.546 2.574 1.00 0.00 O ATOM 0 H ASP A 15 13.441 6.463 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 15 15.128 8.705 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.860 7.595 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.643 6.062 0.910 1.00 0.00 H new ATOM 239 N GLU A 16 16.759 5.905 -1.198 1.00 0.00 N ATOM 240 CA GLU A 16 18.027 5.352 -1.676 1.00 0.00 C ATOM 241 C GLU A 16 18.422 5.936 -3.037 1.00 0.00 C ATOM 242 O GLU A 16 19.586 6.284 -3.231 1.00 0.00 O ATOM 243 CB GLU A 16 17.931 3.817 -1.738 1.00 0.00 C ATOM 244 CG GLU A 16 19.232 3.201 -2.271 1.00 0.00 C ATOM 245 CD GLU A 16 19.213 1.663 -2.177 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.422 1.117 -1.064 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.027 0.986 -3.219 1.00 0.00 O ATOM 0 H GLU A 16 16.022 5.204 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 16 18.812 5.631 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.719 3.423 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.099 3.528 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.378 3.501 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.078 3.590 -1.704 1.00 0.00 H new ATOM 254 N ALA A 17 17.474 6.090 -3.969 1.00 0.00 N ATOM 255 CA ALA A 17 17.755 6.704 -5.265 1.00 0.00 C ATOM 256 C ALA A 17 18.205 8.173 -5.119 1.00 0.00 C ATOM 257 O ALA A 17 19.192 8.571 -5.738 1.00 0.00 O ATOM 258 CB ALA A 17 16.521 6.569 -6.164 1.00 0.00 C ATOM 0 H ALA A 17 16.505 5.796 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 17 18.589 6.180 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.725 7.025 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.285 5.514 -6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.674 7.072 -5.697 1.00 0.00 H new ATOM 264 N ILE A 18 17.540 8.957 -4.258 1.00 0.00 N ATOM 265 CA ILE A 18 17.951 10.335 -3.935 1.00 0.00 C ATOM 266 C ILE A 18 19.366 10.360 -3.344 1.00 0.00 C ATOM 267 O ILE A 18 20.201 11.122 -3.826 1.00 0.00 O ATOM 268 CB ILE A 18 16.907 11.006 -3.005 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.638 11.335 -3.824 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.442 12.291 -2.337 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.415 11.700 -2.975 1.00 0.00 C ATOM 0 H ILE A 18 16.700 8.655 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 18 17.986 10.919 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 18 16.679 10.302 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.859 12.164 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.389 10.476 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.669 12.718 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.319 12.050 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.717 13.013 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.570 11.916 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.164 10.865 -2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.641 12.579 -2.371 1.00 0.00 H new ATOM 283 N ASP A 19 19.672 9.518 -2.355 1.00 0.00 N ATOM 284 CA ASP A 19 21.009 9.455 -1.746 1.00 0.00 C ATOM 285 C ASP A 19 22.096 8.996 -2.736 1.00 0.00 C ATOM 286 O ASP A 19 23.186 9.569 -2.772 1.00 0.00 O ATOM 287 CB ASP A 19 20.955 8.523 -0.528 1.00 0.00 C ATOM 288 CG ASP A 19 22.315 8.460 0.188 1.00 0.00 C ATOM 289 OD1 ASP A 19 22.680 9.444 0.875 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.018 7.424 0.073 1.00 0.00 O ATOM 0 H ASP A 19 19.004 8.861 -1.952 1.00 0.00 H new ATOM 0 HA ASP A 19 21.288 10.463 -1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.192 8.873 0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.662 7.522 -0.846 1.00 0.00 H new ATOM 295 N ASN A 20 21.790 8.021 -3.599 1.00 0.00 N ATOM 296 CA ASN A 20 22.697 7.557 -4.648 1.00 0.00 C ATOM 297 C ASN A 20 23.001 8.667 -5.672 1.00 0.00 C ATOM 298 O ASN A 20 24.165 8.867 -6.012 1.00 0.00 O ATOM 299 CB ASN A 20 22.092 6.309 -5.314 1.00 0.00 C ATOM 300 CG ASN A 20 22.992 5.756 -6.409 1.00 0.00 C ATOM 301 OD1 ASN A 20 22.806 6.020 -7.588 1.00 0.00 O ATOM 302 ND2 ASN A 20 24.002 4.992 -6.060 1.00 0.00 N ATOM 0 H ASN A 20 20.897 7.529 -3.587 1.00 0.00 H new ATOM 0 HA ASN A 20 23.655 7.291 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.924 5.540 -4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.119 6.559 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 20 24.630 4.620 -6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.158 4.771 -5.077 1.00 0.00 H new ATOM 309 N ILE A 21 21.992 9.433 -6.103 1.00 0.00 N ATOM 310 CA ILE A 21 22.178 10.609 -6.977 1.00 0.00 C ATOM 311 C ILE A 21 23.010 11.683 -6.274 1.00 0.00 C ATOM 312 O ILE A 21 23.967 12.196 -6.853 1.00 0.00 O ATOM 313 CB ILE A 21 20.803 11.156 -7.432 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.201 10.226 -8.507 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.932 12.590 -7.979 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.683 10.393 -8.660 1.00 0.00 C ATOM 0 H ILE A 21 21.018 9.258 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 21 22.730 10.305 -7.866 1.00 0.00 H new ATOM 0 HB ILE A 21 20.139 11.184 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.682 10.427 -9.464 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.423 9.190 -8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.952 12.950 -8.291 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.327 13.242 -7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.609 12.594 -8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.318 9.713 -9.430 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.195 10.164 -7.713 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.457 11.420 -8.946 1.00 0.00 H new ATOM 328 N LEU A 22 22.679 11.996 -5.022 1.00 0.00 N ATOM 329 CA LEU A 22 23.360 13.011 -4.217 1.00 0.00 C ATOM 330 C LEU A 22 24.858 12.684 -4.029 1.00 0.00 C ATOM 331 O LEU A 22 25.707 13.567 -4.160 1.00 0.00 O ATOM 332 CB LEU A 22 22.582 13.098 -2.889 1.00 0.00 C ATOM 333 CG LEU A 22 23.048 14.175 -1.904 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.849 15.581 -2.464 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.245 14.066 -0.606 1.00 0.00 C ATOM 0 H LEU A 22 21.912 11.541 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 22 23.360 13.982 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.531 13.274 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.642 12.130 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 22 24.111 14.012 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.192 16.315 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.421 15.690 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.791 15.743 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.578 14.833 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.186 14.206 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.399 13.081 -0.165 1.00 0.00 H new ATOM 347 N ARG A 23 25.191 11.403 -3.815 1.00 0.00 N ATOM 348 CA ARG A 23 26.577 10.904 -3.756 1.00 0.00 C ATOM 349 C ARG A 23 27.261 10.904 -5.129 1.00 0.00 C ATOM 350 O ARG A 23 28.370 11.419 -5.250 1.00 0.00 O ATOM 351 CB ARG A 23 26.565 9.507 -3.103 1.00 0.00 C ATOM 352 CG ARG A 23 27.948 8.855 -2.919 1.00 0.00 C ATOM 353 CD ARG A 23 28.894 9.661 -2.016 1.00 0.00 C ATOM 354 NE ARG A 23 30.179 8.956 -1.824 1.00 0.00 N ATOM 355 CZ ARG A 23 30.483 8.061 -0.899 1.00 0.00 C ATOM 356 NH1 ARG A 23 29.629 7.665 0.001 1.00 0.00 N ATOM 357 NH2 ARG A 23 31.675 7.534 -0.867 1.00 0.00 N ATOM 0 H ARG A 23 24.495 10.671 -3.675 1.00 0.00 H new ATOM 0 HA ARG A 23 27.176 11.581 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.085 9.584 -2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.947 8.845 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.817 7.859 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.413 8.728 -3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 23 29.076 10.641 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 23 28.421 9.831 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 23 30.921 9.188 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.684 8.048 0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.906 6.972 0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 23 32.374 7.812 -1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 23 31.908 6.844 -0.153 1.00 0.00 H new ATOM 371 N TYR A 24 26.592 10.389 -6.164 1.00 0.00 N ATOM 372 CA TYR A 24 27.129 10.299 -7.533 1.00 0.00 C ATOM 373 C TYR A 24 27.474 11.676 -8.136 1.00 0.00 C ATOM 374 O TYR A 24 28.529 11.845 -8.749 1.00 0.00 O ATOM 375 CB TYR A 24 26.092 9.573 -8.405 1.00 0.00 C ATOM 376 CG TYR A 24 26.378 9.559 -9.895 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.514 8.890 -10.394 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.496 10.208 -10.785 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.776 8.881 -11.778 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.753 10.192 -12.167 1.00 0.00 C ATOM 381 CZ TYR A 24 26.896 9.535 -12.670 1.00 0.00 C ATOM 382 OH TYR A 24 27.137 9.530 -14.012 1.00 0.00 O ATOM 0 H TYR A 24 25.647 10.016 -6.078 1.00 0.00 H new ATOM 0 HA TYR A 24 28.067 9.745 -7.500 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.012 8.542 -8.060 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.120 10.039 -8.245 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.184 8.384 -9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.623 10.717 -10.404 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.650 8.374 -12.158 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.073 10.684 -12.846 1.00 0.00 H new ATOM 0 HH TYR A 24 26.429 10.027 -14.473 1.00 0.00 H new ATOM 392 N THR A 25 26.618 12.678 -7.908 1.00 0.00 N ATOM 393 CA THR A 25 26.854 14.067 -8.348 1.00 0.00 C ATOM 394 C THR A 25 27.771 14.870 -7.415 1.00 0.00 C ATOM 395 O THR A 25 28.138 15.995 -7.759 1.00 0.00 O ATOM 396 CB THR A 25 25.537 14.833 -8.510 1.00 0.00 C ATOM 397 OG1 THR A 25 24.843 14.862 -7.284 1.00 0.00 O ATOM 398 CG2 THR A 25 24.604 14.247 -9.566 1.00 0.00 C ATOM 0 H THR A 25 25.736 12.553 -7.411 1.00 0.00 H new ATOM 0 HA THR A 25 27.360 13.969 -9.308 1.00 0.00 H new ATOM 0 HB THR A 25 25.820 15.833 -8.839 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.429 13.989 -7.122 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.694 14.845 -9.620 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.102 14.255 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.349 13.222 -9.297 1.00 0.00 H new ATOM 406 N ASN A 26 28.111 14.326 -6.235 1.00 0.00 N ATOM 407 CA ASN A 26 28.832 15.000 -5.143 1.00 0.00 C ATOM 408 C ASN A 26 28.256 16.390 -4.774 1.00 0.00 C ATOM 409 O ASN A 26 28.992 17.304 -4.388 1.00 0.00 O ATOM 410 CB ASN A 26 30.362 14.920 -5.354 1.00 0.00 C ATOM 411 CG ASN A 26 30.911 15.714 -6.534 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.318 15.162 -7.547 1.00 0.00 O ATOM 413 ND2 ASN A 26 30.989 17.022 -6.426 1.00 0.00 N ATOM 0 H ASN A 26 27.880 13.359 -6.006 1.00 0.00 H new ATOM 0 HA ASN A 26 28.649 14.443 -4.224 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.854 15.268 -4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.638 13.874 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.388 17.574 -7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 26 30.650 17.485 -5.583 1.00 0.00 H new ATOM 420 N SER A 27 26.936 16.540 -4.923 1.00 0.00 N ATOM 421 CA SER A 27 26.206 17.806 -4.744 1.00 0.00 C ATOM 422 C SER A 27 25.586 17.949 -3.341 1.00 0.00 C ATOM 423 O SER A 27 25.755 17.090 -2.469 1.00 0.00 O ATOM 424 CB SER A 27 25.138 17.913 -5.839 1.00 0.00 C ATOM 425 OG SER A 27 24.135 16.934 -5.649 1.00 0.00 O ATOM 0 H SER A 27 26.326 15.764 -5.179 1.00 0.00 H new ATOM 0 HA SER A 27 26.917 18.628 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.692 18.907 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.599 17.785 -6.819 1.00 0.00 H new ATOM 0 HG SER A 27 24.282 16.190 -6.270 1.00 0.00 H new ATOM 431 N THR A 28 24.876 19.062 -3.115 1.00 0.00 N ATOM 432 CA THR A 28 24.009 19.256 -1.941 1.00 0.00 C ATOM 433 C THR A 28 22.550 19.080 -2.347 1.00 0.00 C ATOM 434 O THR A 28 22.165 19.371 -3.481 1.00 0.00 O ATOM 435 CB THR A 28 24.215 20.620 -1.274 1.00 0.00 C ATOM 436 OG1 THR A 28 23.936 21.655 -2.191 1.00 0.00 O ATOM 437 CG2 THR A 28 25.646 20.828 -0.791 1.00 0.00 C ATOM 0 H THR A 28 24.886 19.862 -3.747 1.00 0.00 H new ATOM 0 HA THR A 28 24.283 18.502 -1.204 1.00 0.00 H new ATOM 0 HB THR A 28 23.540 20.642 -0.418 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.319 22.495 -1.862 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.734 21.810 -0.327 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.899 20.058 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.329 20.764 -1.638 1.00 0.00 H new ATOM 445 N GLU A 29 21.701 18.639 -1.422 1.00 0.00 N ATOM 446 CA GLU A 29 20.285 18.381 -1.705 1.00 0.00 C ATOM 447 C GLU A 29 19.532 19.652 -2.130 1.00 0.00 C ATOM 448 O GLU A 29 18.663 19.583 -2.994 1.00 0.00 O ATOM 449 CB GLU A 29 19.613 17.639 -0.530 1.00 0.00 C ATOM 450 CG GLU A 29 19.710 18.307 0.855 1.00 0.00 C ATOM 451 CD GLU A 29 20.984 17.886 1.621 1.00 0.00 C ATOM 452 OE1 GLU A 29 22.075 18.429 1.329 1.00 0.00 O ATOM 453 OE2 GLU A 29 20.896 17.015 2.520 1.00 0.00 O ATOM 0 H GLU A 29 21.971 18.450 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 29 20.234 17.717 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 29 18.558 17.505 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 29 20.053 16.644 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.702 19.390 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 29 18.831 18.045 1.444 1.00 0.00 H new ATOM 460 N GLN A 30 19.923 20.832 -1.628 1.00 0.00 N ATOM 461 CA GLN A 30 19.375 22.111 -2.093 1.00 0.00 C ATOM 462 C GLN A 30 19.781 22.452 -3.543 1.00 0.00 C ATOM 463 O GLN A 30 18.949 22.955 -4.297 1.00 0.00 O ATOM 464 CB GLN A 30 19.696 23.239 -1.093 1.00 0.00 C ATOM 465 CG GLN A 30 21.189 23.585 -0.947 1.00 0.00 C ATOM 466 CD GLN A 30 21.416 24.658 0.121 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.754 24.377 1.264 1.00 0.00 O ATOM 468 NE2 GLN A 30 21.231 25.923 -0.198 1.00 0.00 N ATOM 0 H GLN A 30 20.624 20.925 -0.893 1.00 0.00 H new ATOM 0 HA GLN A 30 18.291 22.007 -2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 30 19.160 24.137 -1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.308 22.956 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 30 21.748 22.686 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.577 23.935 -1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.949 26.174 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 30 21.369 26.651 0.503 1.00 0.00 H new ATOM 477 N GLN A 31 21.005 22.113 -3.974 1.00 0.00 N ATOM 478 CA GLN A 31 21.409 22.258 -5.382 1.00 0.00 C ATOM 479 C GLN A 31 20.680 21.252 -6.284 1.00 0.00 C ATOM 480 O GLN A 31 20.239 21.616 -7.371 1.00 0.00 O ATOM 481 CB GLN A 31 22.931 22.112 -5.529 1.00 0.00 C ATOM 482 CG GLN A 31 23.683 23.354 -5.031 1.00 0.00 C ATOM 483 CD GLN A 31 25.194 23.187 -5.173 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.817 23.637 -6.126 1.00 0.00 O ATOM 485 NE2 GLN A 31 25.839 22.515 -4.243 1.00 0.00 N ATOM 0 H GLN A 31 21.734 21.736 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 31 21.124 23.259 -5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.266 21.238 -4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.178 21.935 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.358 24.228 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.433 23.538 -3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.332 22.135 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 31 26.846 22.374 -4.321 1.00 0.00 H new ATOM 494 N PHE A 32 20.481 20.012 -5.821 1.00 0.00 N ATOM 495 CA PHE A 32 19.686 19.010 -6.541 1.00 0.00 C ATOM 496 C PHE A 32 18.216 19.455 -6.676 1.00 0.00 C ATOM 497 O PHE A 32 17.658 19.384 -7.769 1.00 0.00 O ATOM 498 CB PHE A 32 19.861 17.653 -5.829 1.00 0.00 C ATOM 499 CG PHE A 32 19.168 16.424 -6.411 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.712 16.367 -7.747 1.00 0.00 C ATOM 501 CD2 PHE A 32 18.997 15.300 -5.580 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.040 15.227 -8.220 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.335 14.155 -6.058 1.00 0.00 C ATOM 504 CZ PHE A 32 17.833 14.128 -7.370 1.00 0.00 C ATOM 0 H PHE A 32 20.866 19.675 -4.938 1.00 0.00 H new ATOM 0 HA PHE A 32 20.040 18.902 -7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.929 17.439 -5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.515 17.772 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.881 17.204 -8.408 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.377 15.317 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.682 15.196 -9.239 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.212 13.295 -5.416 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.289 13.265 -7.724 1.00 0.00 H new ATOM 514 N LEU A 33 17.602 20.006 -5.619 1.00 0.00 N ATOM 515 CA LEU A 33 16.239 20.561 -5.672 1.00 0.00 C ATOM 516 C LEU A 33 16.145 21.752 -6.633 1.00 0.00 C ATOM 517 O LEU A 33 15.246 21.796 -7.467 1.00 0.00 O ATOM 518 CB LEU A 33 15.793 20.897 -4.231 1.00 0.00 C ATOM 519 CG LEU A 33 14.345 21.379 -3.980 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.094 22.829 -4.395 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.291 20.491 -4.647 1.00 0.00 C ATOM 0 H LEU A 33 18.037 20.080 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 33 15.550 19.822 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.952 20.007 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.465 21.667 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 33 14.241 21.308 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.057 23.092 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.755 23.488 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.291 22.942 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.297 20.883 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.453 20.481 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.372 19.476 -4.259 1.00 0.00 H new ATOM 533 N GLU A 34 17.102 22.676 -6.571 1.00 0.00 N ATOM 534 CA GLU A 34 17.159 23.836 -7.472 1.00 0.00 C ATOM 535 C GLU A 34 17.322 23.425 -8.945 1.00 0.00 C ATOM 536 O GLU A 34 16.648 23.968 -9.823 1.00 0.00 O ATOM 537 CB GLU A 34 18.285 24.780 -7.017 1.00 0.00 C ATOM 538 CG GLU A 34 18.334 26.079 -7.827 1.00 0.00 C ATOM 539 CD GLU A 34 19.402 27.040 -7.264 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.582 26.951 -7.685 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.069 27.896 -6.408 1.00 0.00 O ATOM 0 H GLU A 34 17.864 22.645 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 34 16.207 24.363 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.148 25.020 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.242 24.266 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.556 25.854 -8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.357 26.562 -7.806 1.00 0.00 H new ATOM 548 N ALA A 35 18.152 22.419 -9.220 1.00 0.00 N ATOM 549 CA ALA A 35 18.306 21.856 -10.559 1.00 0.00 C ATOM 550 C ALA A 35 17.030 21.142 -11.030 1.00 0.00 C ATOM 551 O ALA A 35 16.597 21.368 -12.154 1.00 0.00 O ATOM 552 CB ALA A 35 19.527 20.937 -10.573 1.00 0.00 C ATOM 0 H ALA A 35 18.739 21.970 -8.516 1.00 0.00 H new ATOM 0 HA ALA A 35 18.469 22.664 -11.272 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.651 20.511 -11.569 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.416 21.510 -10.310 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.386 20.134 -9.850 1.00 0.00 H new ATOM 558 N MET A 36 16.378 20.351 -10.176 1.00 0.00 N ATOM 559 CA MET A 36 15.092 19.722 -10.501 1.00 0.00 C ATOM 560 C MET A 36 13.987 20.757 -10.767 1.00 0.00 C ATOM 561 O MET A 36 13.191 20.579 -11.686 1.00 0.00 O ATOM 562 CB MET A 36 14.691 18.773 -9.363 1.00 0.00 C ATOM 563 CG MET A 36 15.537 17.494 -9.349 1.00 0.00 C ATOM 564 SD MET A 36 15.072 16.285 -10.612 1.00 0.00 S ATOM 565 CE MET A 36 13.591 15.586 -9.835 1.00 0.00 C ATOM 0 H MET A 36 16.723 20.128 -9.242 1.00 0.00 H new ATOM 0 HA MET A 36 15.214 19.156 -11.425 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.798 19.288 -8.408 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.638 18.509 -9.466 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.584 17.763 -9.487 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.454 17.028 -8.367 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.149 14.842 -10.498 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.864 15.115 -8.891 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.868 16.381 -9.649 1.00 0.00 H new ATOM 575 N GLU A 37 13.952 21.870 -10.034 1.00 0.00 N ATOM 576 CA GLU A 37 13.047 22.991 -10.327 1.00 0.00 C ATOM 577 C GLU A 37 13.381 23.654 -11.681 1.00 0.00 C ATOM 578 O GLU A 37 12.478 23.965 -12.459 1.00 0.00 O ATOM 579 CB GLU A 37 13.102 23.990 -9.156 1.00 0.00 C ATOM 580 CG GLU A 37 12.083 25.124 -9.303 1.00 0.00 C ATOM 581 CD GLU A 37 12.090 26.040 -8.063 1.00 0.00 C ATOM 582 OE1 GLU A 37 12.922 26.977 -7.995 1.00 0.00 O ATOM 583 OE2 GLU A 37 11.251 25.840 -7.150 1.00 0.00 O ATOM 0 H GLU A 37 14.548 22.024 -9.221 1.00 0.00 H new ATOM 0 HA GLU A 37 12.027 22.620 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.918 23.460 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.104 24.413 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.312 25.710 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.086 24.706 -9.444 1.00 0.00 H new ATOM 590 N SER A 38 14.674 23.805 -11.998 1.00 0.00 N ATOM 591 CA SER A 38 15.153 24.325 -13.290 1.00 0.00 C ATOM 592 C SER A 38 14.800 23.421 -14.487 1.00 0.00 C ATOM 593 O SER A 38 14.545 23.931 -15.583 1.00 0.00 O ATOM 594 CB SER A 38 16.673 24.536 -13.197 1.00 0.00 C ATOM 595 OG SER A 38 17.216 25.104 -14.379 1.00 0.00 O ATOM 0 H SER A 38 15.430 23.566 -11.356 1.00 0.00 H new ATOM 0 HA SER A 38 14.642 25.269 -13.479 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.895 25.185 -12.350 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.158 23.580 -13.001 1.00 0.00 H new ATOM 0 HG SER A 38 17.885 25.779 -14.140 1.00 0.00 H new ATOM 601 N THR A 39 14.729 22.094 -14.298 1.00 0.00 N ATOM 602 CA THR A 39 14.460 21.121 -15.381 1.00 0.00 C ATOM 603 C THR A 39 13.007 20.630 -15.450 1.00 0.00 C ATOM 604 O THR A 39 12.674 19.817 -16.315 1.00 0.00 O ATOM 605 CB THR A 39 15.410 19.919 -15.309 1.00 0.00 C ATOM 606 OG1 THR A 39 15.157 19.161 -14.146 1.00 0.00 O ATOM 607 CG2 THR A 39 16.875 20.341 -15.330 1.00 0.00 C ATOM 0 H THR A 39 14.857 21.658 -13.385 1.00 0.00 H new ATOM 0 HA THR A 39 14.642 21.680 -16.299 1.00 0.00 H new ATOM 0 HB THR A 39 15.222 19.312 -16.195 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.403 18.226 -14.305 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.509 19.456 -15.277 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.084 20.883 -16.252 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.080 20.986 -14.476 1.00 0.00 H new ATOM 615 N GLY A 40 12.127 21.097 -14.553 1.00 0.00 N ATOM 616 CA GLY A 40 10.728 20.644 -14.486 1.00 0.00 C ATOM 617 C GLY A 40 10.570 19.219 -13.931 1.00 0.00 C ATOM 618 O GLY A 40 9.651 18.496 -14.317 1.00 0.00 O ATOM 0 H GLY A 40 12.364 21.800 -13.853 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.161 21.334 -13.861 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.292 20.687 -15.484 1.00 0.00 H new ATOM 622 N GLY A 41 11.493 18.799 -13.057 1.00 0.00 N ATOM 623 CA GLY A 41 11.507 17.477 -12.426 1.00 0.00 C ATOM 624 C GLY A 41 12.221 16.381 -13.225 1.00 0.00 C ATOM 625 O GLY A 41 12.116 15.209 -12.871 1.00 0.00 O ATOM 0 H GLY A 41 12.272 19.388 -12.762 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.985 17.563 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.478 17.165 -12.251 1.00 0.00 H new ATOM 629 N ARG A 42 12.957 16.722 -14.293 1.00 0.00 N ATOM 630 CA ARG A 42 13.698 15.737 -15.113 1.00 0.00 C ATOM 631 C ARG A 42 15.025 15.381 -14.452 1.00 0.00 C ATOM 632 O ARG A 42 16.011 16.095 -14.620 1.00 0.00 O ATOM 633 CB ARG A 42 13.878 16.286 -16.545 1.00 0.00 C ATOM 634 CG ARG A 42 12.635 16.079 -17.424 1.00 0.00 C ATOM 635 CD ARG A 42 12.519 14.637 -17.944 1.00 0.00 C ATOM 636 NE ARG A 42 11.523 14.536 -19.031 1.00 0.00 N ATOM 637 CZ ARG A 42 10.205 14.457 -18.936 1.00 0.00 C ATOM 638 NH1 ARG A 42 9.580 14.460 -17.791 1.00 0.00 N ATOM 639 NH2 ARG A 42 9.477 14.374 -20.013 1.00 0.00 N ATOM 0 H ARG A 42 13.059 17.684 -14.617 1.00 0.00 H new ATOM 0 HA ARG A 42 13.126 14.812 -15.184 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.108 17.350 -16.495 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.733 15.797 -17.012 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.742 16.329 -16.851 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.673 16.765 -18.270 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.490 14.299 -18.306 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.236 13.975 -17.126 1.00 0.00 H new ATOM 0 HE ARG A 42 11.900 14.526 -19.979 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.109 14.525 -16.921 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.562 14.397 -17.765 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.922 14.370 -20.931 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.462 14.313 -19.939 1.00 0.00 H new ATOM 653 N VAL A 43 15.058 14.239 -13.758 1.00 0.00 N ATOM 654 CA VAL A 43 16.237 13.743 -13.015 1.00 0.00 C ATOM 655 C VAL A 43 17.475 13.658 -13.907 1.00 0.00 C ATOM 656 O VAL A 43 18.518 14.177 -13.529 1.00 0.00 O ATOM 657 CB VAL A 43 15.937 12.379 -12.343 1.00 0.00 C ATOM 658 CG1 VAL A 43 17.139 11.838 -11.559 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.774 12.494 -11.346 1.00 0.00 C ATOM 0 H VAL A 43 14.253 13.616 -13.691 1.00 0.00 H new ATOM 0 HA VAL A 43 16.454 14.466 -12.229 1.00 0.00 H new ATOM 0 HB VAL A 43 15.689 11.702 -13.160 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.878 10.881 -11.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.983 11.702 -12.235 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.412 12.546 -10.776 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.587 11.521 -10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 43 15.030 13.215 -10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.878 12.828 -11.869 1.00 0.00 H new ATOM 669 N ARG A 44 17.357 13.122 -15.132 1.00 0.00 N ATOM 670 CA ARG A 44 18.501 13.000 -16.064 1.00 0.00 C ATOM 671 C ARG A 44 19.139 14.348 -16.428 1.00 0.00 C ATOM 672 O ARG A 44 20.359 14.488 -16.411 1.00 0.00 O ATOM 673 CB ARG A 44 18.094 12.152 -17.289 1.00 0.00 C ATOM 674 CG ARG A 44 17.050 12.782 -18.237 1.00 0.00 C ATOM 675 CD ARG A 44 16.622 11.814 -19.354 1.00 0.00 C ATOM 676 NE ARG A 44 17.744 11.492 -20.263 1.00 0.00 N ATOM 677 CZ ARG A 44 18.354 10.330 -20.434 1.00 0.00 C ATOM 678 NH1 ARG A 44 18.021 9.254 -19.777 1.00 0.00 N ATOM 679 NH2 ARG A 44 19.332 10.228 -21.288 1.00 0.00 N ATOM 0 H ARG A 44 16.479 12.763 -15.506 1.00 0.00 H new ATOM 0 HA ARG A 44 19.301 12.470 -15.547 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.992 11.931 -17.866 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.702 11.200 -16.932 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.174 13.082 -17.662 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.464 13.687 -18.681 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.238 10.895 -18.911 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.807 12.257 -19.926 1.00 0.00 H new ATOM 0 HE ARG A 44 18.092 12.265 -20.831 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.261 9.286 -19.097 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.520 8.380 -19.943 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.628 11.043 -21.825 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.802 9.333 -21.420 1.00 0.00 H new ATOM 693 N ILE A 45 18.308 15.372 -16.645 1.00 0.00 N ATOM 694 CA ILE A 45 18.779 16.733 -16.968 1.00 0.00 C ATOM 695 C ILE A 45 19.314 17.417 -15.700 1.00 0.00 C ATOM 696 O ILE A 45 20.320 18.112 -15.757 1.00 0.00 O ATOM 697 CB ILE A 45 17.684 17.561 -17.688 1.00 0.00 C ATOM 698 CG1 ILE A 45 17.063 16.794 -18.881 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.284 18.891 -18.193 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.947 17.546 -19.619 1.00 0.00 C ATOM 0 H ILE A 45 17.292 15.287 -16.603 1.00 0.00 H new ATOM 0 HA ILE A 45 19.606 16.663 -17.675 1.00 0.00 H new ATOM 0 HB ILE A 45 16.891 17.753 -16.965 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.854 16.556 -19.593 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.665 15.846 -18.518 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.511 19.470 -18.699 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.669 19.461 -17.347 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.096 18.683 -18.890 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.574 16.931 -20.438 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.133 17.761 -18.926 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.340 18.481 -20.018 1.00 0.00 H new ATOM 712 N ALA A 46 18.704 17.173 -14.535 1.00 0.00 N ATOM 713 CA ALA A 46 19.161 17.744 -13.264 1.00 0.00 C ATOM 714 C ALA A 46 20.548 17.204 -12.867 1.00 0.00 C ATOM 715 O ALA A 46 21.454 17.989 -12.578 1.00 0.00 O ATOM 716 CB ALA A 46 18.101 17.478 -12.188 1.00 0.00 C ATOM 0 H ALA A 46 17.882 16.576 -14.447 1.00 0.00 H new ATOM 0 HA ALA A 46 19.282 18.822 -13.373 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.432 17.899 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.160 17.942 -12.482 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.957 16.403 -12.077 1.00 0.00 H new ATOM 722 N ILE A 47 20.762 15.883 -12.951 1.00 0.00 N ATOM 723 CA ILE A 47 22.085 15.290 -12.693 1.00 0.00 C ATOM 724 C ILE A 47 23.094 15.697 -13.774 1.00 0.00 C ATOM 725 O ILE A 47 24.236 15.991 -13.430 1.00 0.00 O ATOM 726 CB ILE A 47 22.032 13.769 -12.433 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.721 12.935 -13.696 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.047 13.489 -11.286 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.650 11.421 -13.453 1.00 0.00 C ATOM 0 H ILE A 47 20.039 15.206 -13.195 1.00 0.00 H new ATOM 0 HA ILE A 47 22.448 15.708 -11.754 1.00 0.00 H new ATOM 0 HB ILE A 47 23.029 13.444 -12.137 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.771 13.269 -14.113 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.486 13.135 -14.446 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.004 12.416 -11.097 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.382 14.003 -10.385 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.056 13.848 -11.562 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.428 10.912 -14.391 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.607 11.069 -13.067 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.865 11.205 -12.728 1.00 0.00 H new ATOM 741 N ALA A 48 22.679 15.837 -15.041 1.00 0.00 N ATOM 742 CA ALA A 48 23.538 16.405 -16.087 1.00 0.00 C ATOM 743 C ALA A 48 24.000 17.846 -15.772 1.00 0.00 C ATOM 744 O ALA A 48 25.193 18.133 -15.867 1.00 0.00 O ATOM 745 CB ALA A 48 22.795 16.327 -17.425 1.00 0.00 C ATOM 0 H ALA A 48 21.751 15.564 -15.366 1.00 0.00 H new ATOM 0 HA ALA A 48 24.455 15.817 -16.138 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.420 16.746 -18.213 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.569 15.286 -17.655 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.866 16.894 -17.359 1.00 0.00 H new ATOM 751 N LYS A 49 23.095 18.732 -15.319 1.00 0.00 N ATOM 752 CA LYS A 49 23.431 20.121 -14.932 1.00 0.00 C ATOM 753 C LYS A 49 24.296 20.201 -13.670 1.00 0.00 C ATOM 754 O LYS A 49 25.140 21.089 -13.569 1.00 0.00 O ATOM 755 CB LYS A 49 22.151 20.968 -14.777 1.00 0.00 C ATOM 756 CG LYS A 49 21.505 21.289 -16.138 1.00 0.00 C ATOM 757 CD LYS A 49 20.312 22.256 -16.046 1.00 0.00 C ATOM 758 CE LYS A 49 20.774 23.666 -15.631 1.00 0.00 C ATOM 759 NZ LYS A 49 19.717 24.704 -15.798 1.00 0.00 N ATOM 0 H LYS A 49 22.106 18.508 -15.209 1.00 0.00 H new ATOM 0 HA LYS A 49 24.033 20.533 -15.742 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.435 20.433 -14.153 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.391 21.898 -14.261 1.00 0.00 H new ATOM 0 HG2 LYS A 49 22.260 21.720 -16.796 1.00 0.00 H new ATOM 0 HG3 LYS A 49 21.173 20.360 -16.600 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.804 22.305 -17.009 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.589 21.879 -15.323 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.092 23.645 -14.589 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.645 23.945 -16.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.114 25.641 -15.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.370 24.691 -16.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.929 24.505 -15.149 1.00 0.00 H new ATOM 773 N LEU A 50 24.138 19.263 -12.733 1.00 0.00 N ATOM 774 CA LEU A 50 25.037 19.112 -11.578 1.00 0.00 C ATOM 775 C LEU A 50 26.441 18.634 -12.001 1.00 0.00 C ATOM 776 O LEU A 50 27.436 19.201 -11.552 1.00 0.00 O ATOM 777 CB LEU A 50 24.395 18.155 -10.551 1.00 0.00 C ATOM 778 CG LEU A 50 23.642 18.833 -9.392 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.648 19.900 -9.839 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.847 17.782 -8.619 1.00 0.00 C ATOM 0 H LEU A 50 23.380 18.581 -12.751 1.00 0.00 H new ATOM 0 HA LEU A 50 25.175 20.088 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.702 17.498 -11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.177 17.522 -10.132 1.00 0.00 H new ATOM 0 HG LEU A 50 24.409 19.315 -8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.159 20.330 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.176 20.684 -10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 50 21.898 19.449 -10.490 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.313 18.261 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.131 17.303 -9.287 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.529 17.031 -8.220 1.00 0.00 H new ATOM 792 N LEU A 51 26.534 17.642 -12.895 1.00 0.00 N ATOM 793 CA LEU A 51 27.819 17.112 -13.382 1.00 0.00 C ATOM 794 C LEU A 51 28.595 18.123 -14.251 1.00 0.00 C ATOM 795 O LEU A 51 29.822 18.182 -14.159 1.00 0.00 O ATOM 796 CB LEU A 51 27.570 15.794 -14.147 1.00 0.00 C ATOM 797 CG LEU A 51 27.167 14.603 -13.253 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.658 13.458 -14.128 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.331 14.079 -12.411 1.00 0.00 C ATOM 0 H LEU A 51 25.721 17.182 -13.303 1.00 0.00 H new ATOM 0 HA LEU A 51 28.451 16.919 -12.515 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.786 15.960 -14.885 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.474 15.531 -14.696 1.00 0.00 H new ATOM 0 HG LEU A 51 26.392 14.963 -12.577 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.373 12.616 -13.497 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.792 13.793 -14.698 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.446 13.147 -14.814 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.991 13.242 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.135 13.747 -13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.698 14.875 -11.762 1.00 0.00 H new ATOM 1252 N SER A 85 10.300 10.248 -11.532 1.00 0.00 N ATOM 1253 CA SER A 85 10.651 11.683 -11.538 1.00 0.00 C ATOM 1254 C SER A 85 9.821 12.542 -10.575 1.00 0.00 C ATOM 1255 O SER A 85 10.383 13.298 -9.779 1.00 0.00 O ATOM 1256 CB SER A 85 10.490 12.224 -12.971 1.00 0.00 C ATOM 1257 OG SER A 85 9.195 11.923 -13.476 1.00 0.00 O ATOM 0 HA SER A 85 11.681 11.753 -11.189 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.648 13.303 -12.978 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.250 11.786 -13.618 1.00 0.00 H new ATOM 0 HG SER A 85 8.821 11.163 -12.984 1.00 0.00 H new ATOM 1263 N GLN A 86 8.495 12.377 -10.575 1.00 0.00 N ATOM 1264 CA GLN A 86 7.586 13.140 -9.708 1.00 0.00 C ATOM 1265 C GLN A 86 7.714 12.746 -8.226 1.00 0.00 C ATOM 1266 O GLN A 86 7.678 13.617 -7.360 1.00 0.00 O ATOM 1267 CB GLN A 86 6.137 12.982 -10.196 1.00 0.00 C ATOM 1268 CG GLN A 86 5.917 13.592 -11.590 1.00 0.00 C ATOM 1269 CD GLN A 86 4.450 13.526 -12.010 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.687 14.471 -11.855 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.989 12.414 -12.541 1.00 0.00 N ATOM 0 H GLN A 86 8.018 11.708 -11.179 1.00 0.00 H new ATOM 0 HA GLN A 86 7.874 14.189 -9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.879 11.923 -10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.463 13.458 -9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.249 14.630 -11.590 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.529 13.062 -12.320 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.611 11.617 -12.677 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.009 12.348 -12.817 1.00 0.00 H new ATOM 1280 N GLN A 87 7.930 11.463 -7.917 1.00 0.00 N ATOM 1281 CA GLN A 87 8.100 11.001 -6.530 1.00 0.00 C ATOM 1282 C GLN A 87 9.504 11.323 -5.984 1.00 0.00 C ATOM 1283 O GLN A 87 9.639 11.709 -4.823 1.00 0.00 O ATOM 1284 CB GLN A 87 7.752 9.505 -6.444 1.00 0.00 C ATOM 1285 CG GLN A 87 7.458 9.041 -5.003 1.00 0.00 C ATOM 1286 CD GLN A 87 6.177 9.654 -4.433 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.194 10.659 -3.735 1.00 0.00 O ATOM 1288 NE2 GLN A 87 5.018 9.106 -4.727 1.00 0.00 N ATOM 0 H GLN A 87 7.992 10.719 -8.612 1.00 0.00 H new ATOM 0 HA GLN A 87 7.410 11.546 -5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.883 9.302 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.579 8.921 -6.847 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.374 7.954 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.299 9.306 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.983 8.268 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.155 9.519 -4.375 1.00 0.00 H new ATOM 1297 N ILE A 88 10.533 11.269 -6.840 1.00 0.00 N ATOM 1298 CA ILE A 88 11.888 11.761 -6.525 1.00 0.00 C ATOM 1299 C ILE A 88 11.823 13.254 -6.184 1.00 0.00 C ATOM 1300 O ILE A 88 12.318 13.654 -5.134 1.00 0.00 O ATOM 1301 CB ILE A 88 12.863 11.462 -7.694 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.089 9.945 -7.901 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.220 12.176 -7.528 1.00 0.00 C ATOM 1304 CD1 ILE A 88 14.011 9.257 -6.885 1.00 0.00 C ATOM 0 H ILE A 88 10.451 10.880 -7.779 1.00 0.00 H new ATOM 0 HA ILE A 88 12.277 11.236 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 88 12.376 11.859 -8.585 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.120 9.447 -7.878 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.502 9.792 -8.898 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.865 11.933 -8.373 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.062 13.254 -7.490 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.694 11.846 -6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.095 8.198 -7.129 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.998 9.717 -6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.595 9.367 -5.884 1.00 0.00 H new ATOM 1316 N LEU A 89 11.144 14.070 -7.003 1.00 0.00 N ATOM 1317 CA LEU A 89 10.925 15.490 -6.700 1.00 0.00 C ATOM 1318 C LEU A 89 10.132 15.686 -5.403 1.00 0.00 C ATOM 1319 O LEU A 89 10.541 16.487 -4.572 1.00 0.00 O ATOM 1320 CB LEU A 89 10.237 16.175 -7.900 1.00 0.00 C ATOM 1321 CG LEU A 89 9.903 17.668 -7.705 1.00 0.00 C ATOM 1322 CD1 LEU A 89 11.126 18.513 -7.337 1.00 0.00 C ATOM 1323 CD2 LEU A 89 9.311 18.230 -8.998 1.00 0.00 C ATOM 0 H LEU A 89 10.735 13.767 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 89 11.894 15.961 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.882 16.075 -8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.314 15.639 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 89 9.194 17.723 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.826 19.553 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.555 18.146 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.870 18.442 -8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.075 19.285 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.034 18.122 -9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.402 17.684 -9.249 1.00 0.00 H new ATOM 1335 N ASN A 90 9.050 14.938 -5.187 1.00 0.00 N ATOM 1336 CA ASN A 90 8.231 15.059 -3.978 1.00 0.00 C ATOM 1337 C ASN A 90 9.047 14.805 -2.698 1.00 0.00 C ATOM 1338 O ASN A 90 9.066 15.650 -1.805 1.00 0.00 O ATOM 1339 CB ASN A 90 7.027 14.107 -4.104 1.00 0.00 C ATOM 1340 CG ASN A 90 6.036 14.259 -2.960 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.769 15.353 -2.483 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.462 13.173 -2.492 1.00 0.00 N ATOM 0 H ASN A 90 8.716 14.232 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 90 7.868 16.083 -3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.517 14.296 -5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.385 13.078 -4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.790 13.240 -1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.688 12.263 -2.894 1.00 0.00 H new ATOM 1349 N ARG A 91 9.801 13.698 -2.626 1.00 0.00 N ATOM 1350 CA ARG A 91 10.617 13.374 -1.437 1.00 0.00 C ATOM 1351 C ARG A 91 11.843 14.283 -1.290 1.00 0.00 C ATOM 1352 O ARG A 91 12.192 14.647 -0.170 1.00 0.00 O ATOM 1353 CB ARG A 91 10.935 11.864 -1.445 1.00 0.00 C ATOM 1354 CG ARG A 91 11.656 11.406 -0.163 1.00 0.00 C ATOM 1355 CD ARG A 91 11.564 9.886 0.052 1.00 0.00 C ATOM 1356 NE ARG A 91 10.174 9.478 0.382 1.00 0.00 N ATOM 1357 CZ ARG A 91 9.582 9.490 1.568 1.00 0.00 C ATOM 1358 NH1 ARG A 91 10.214 9.822 2.657 1.00 0.00 N ATOM 1359 NH2 ARG A 91 8.329 9.164 1.680 1.00 0.00 N ATOM 0 H ARG A 91 9.865 13.009 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 91 10.043 13.585 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.008 11.301 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.556 11.631 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.704 11.700 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.223 11.918 0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.895 9.367 -0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.235 9.588 0.857 1.00 0.00 H new ATOM 0 HE ARG A 91 9.606 9.149 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.199 10.085 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.724 9.819 3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.796 8.897 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.879 9.175 2.595 1.00 0.00 H new ATOM 1373 N LEU A 92 12.429 14.747 -2.397 1.00 0.00 N ATOM 1374 CA LEU A 92 13.497 15.758 -2.370 1.00 0.00 C ATOM 1375 C LEU A 92 12.975 17.119 -1.870 1.00 0.00 C ATOM 1376 O LEU A 92 13.642 17.772 -1.074 1.00 0.00 O ATOM 1377 CB LEU A 92 14.102 15.840 -3.784 1.00 0.00 C ATOM 1378 CG LEU A 92 15.286 16.807 -3.951 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.508 16.394 -3.131 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.674 16.835 -5.427 1.00 0.00 C ATOM 0 H LEU A 92 12.180 14.436 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 92 14.274 15.470 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.428 14.842 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.316 16.135 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 92 14.970 17.787 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.312 17.113 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.245 16.369 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.840 15.404 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.513 17.516 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.961 15.833 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.825 17.176 -6.020 1.00 0.00 H new ATOM 1392 N ARG A 93 11.758 17.513 -2.261 1.00 0.00 N ATOM 1393 CA ARG A 93 11.100 18.748 -1.804 1.00 0.00 C ATOM 1394 C ARG A 93 10.728 18.666 -0.323 1.00 0.00 C ATOM 1395 O ARG A 93 10.944 19.632 0.395 1.00 0.00 O ATOM 1396 CB ARG A 93 9.883 19.014 -2.710 1.00 0.00 C ATOM 1397 CG ARG A 93 9.126 20.322 -2.389 1.00 0.00 C ATOM 1398 CD ARG A 93 7.686 20.341 -2.940 1.00 0.00 C ATOM 1399 NE ARG A 93 6.872 19.191 -2.475 1.00 0.00 N ATOM 1400 CZ ARG A 93 6.562 18.859 -1.234 1.00 0.00 C ATOM 1401 NH1 ARG A 93 6.805 19.609 -0.201 1.00 0.00 N ATOM 1402 NH2 ARG A 93 6.010 17.722 -0.950 1.00 0.00 N ATOM 0 H ARG A 93 11.190 16.975 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 93 11.786 19.591 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.217 19.046 -3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.191 18.177 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.097 20.461 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.678 21.165 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.200 21.269 -2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.720 20.338 -4.029 1.00 0.00 H new ATOM 0 HE ARG A 93 6.506 18.580 -3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.261 20.513 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.540 19.294 0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.803 17.055 -1.694 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.782 17.493 0.018 1.00 0.00 H new ATOM 1416 N GLU A 94 10.260 17.519 0.169 1.00 0.00 N ATOM 1417 CA GLU A 94 10.047 17.319 1.612 1.00 0.00 C ATOM 1418 C GLU A 94 11.367 17.459 2.393 1.00 0.00 C ATOM 1419 O GLU A 94 11.441 18.260 3.327 1.00 0.00 O ATOM 1420 CB GLU A 94 9.416 15.941 1.876 1.00 0.00 C ATOM 1421 CG GLU A 94 7.960 15.837 1.410 1.00 0.00 C ATOM 1422 CD GLU A 94 7.004 16.675 2.286 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.800 16.330 3.474 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.441 17.677 1.780 1.00 0.00 O ATOM 0 H GLU A 94 10.020 16.711 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 94 9.363 18.093 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.007 15.177 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.464 15.727 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.887 16.171 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.648 14.793 1.431 1.00 0.00 H new ATOM 1431 N ARG A 95 12.428 16.751 1.969 1.00 0.00 N ATOM 1432 CA ARG A 95 13.740 16.773 2.649 1.00 0.00 C ATOM 1433 C ARG A 95 14.411 18.155 2.644 1.00 0.00 C ATOM 1434 O ARG A 95 15.037 18.532 3.637 1.00 0.00 O ATOM 1435 CB ARG A 95 14.631 15.685 2.019 1.00 0.00 C ATOM 1436 CG ARG A 95 16.020 15.590 2.680 1.00 0.00 C ATOM 1437 CD ARG A 95 16.715 14.259 2.364 1.00 0.00 C ATOM 1438 NE ARG A 95 16.067 13.145 3.086 1.00 0.00 N ATOM 1439 CZ ARG A 95 16.153 11.855 2.820 1.00 0.00 C ATOM 1440 NH1 ARG A 95 16.875 11.364 1.858 1.00 0.00 N ATOM 1441 NH2 ARG A 95 15.508 10.980 3.523 1.00 0.00 N ATOM 0 H ARG A 95 12.403 16.148 1.147 1.00 0.00 H new ATOM 0 HA ARG A 95 13.586 16.557 3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.129 14.721 2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.754 15.893 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.643 16.415 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.916 15.698 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.681 14.072 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.767 14.317 2.644 1.00 0.00 H new ATOM 0 HE ARG A 95 15.485 13.403 3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.417 11.986 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.900 10.356 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.920 11.283 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.588 9.988 3.301 1.00 0.00 H new ATOM 1455 N VAL A 96 14.275 18.911 1.549 1.00 0.00 N ATOM 1456 CA VAL A 96 14.912 20.231 1.384 1.00 0.00 C ATOM 1457 C VAL A 96 14.051 21.380 1.921 1.00 0.00 C ATOM 1458 O VAL A 96 14.573 22.259 2.612 1.00 0.00 O ATOM 1459 CB VAL A 96 15.268 20.459 -0.097 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.793 21.872 -0.380 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.368 19.475 -0.508 1.00 0.00 C ATOM 0 H VAL A 96 13.717 18.626 0.744 1.00 0.00 H new ATOM 0 HA VAL A 96 15.824 20.228 1.981 1.00 0.00 H new ATOM 0 HB VAL A 96 14.347 20.314 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.026 21.968 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.033 22.604 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.694 22.050 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.624 19.632 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.251 19.638 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.013 18.454 -0.371 1.00 0.00 H new ATOM 1471 N SER A 97 12.751 21.375 1.616 1.00 0.00 N ATOM 1472 CA SER A 97 11.845 22.509 1.854 1.00 0.00 C ATOM 1473 C SER A 97 10.842 22.301 3.004 1.00 0.00 C ATOM 1474 O SER A 97 10.204 23.269 3.423 1.00 0.00 O ATOM 1475 CB SER A 97 11.101 22.875 0.561 1.00 0.00 C ATOM 1476 OG SER A 97 12.010 23.064 -0.519 1.00 0.00 O ATOM 0 H SER A 97 12.288 20.572 1.190 1.00 0.00 H new ATOM 0 HA SER A 97 12.486 23.332 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.392 22.086 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.522 23.785 0.716 1.00 0.00 H new ATOM 0 HG SER A 97 11.511 23.294 -1.330 1.00 0.00 H new