USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 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 78 SER OG : rot 180:sc= 0.0263 USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 81 GLN : amide:sc= -0.751 K(o=-0.72,f=-3.5!) USER MOD Set 2.1: A 63 ASN : amide:sc= 0 K(o=1.1,f=0.54) USER MOD Set 2.2: A 89 THR OG1 : rot 62:sc= 1.13 USER MOD Set 3.1: A 15 ASN : amide:sc= -0.197 X(o=-0.26,f=-0.15) USER MOD Set 3.2: A 19 ASN : amide:sc= -0.0615 K(o=-0.26,f=-1.5) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0761 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.195 USER MOD Single : A 36 SER OG : rot -18:sc= 0.805 USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= -0.0909 (180deg=-0.811) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -0.0472 (180deg=-0.236) USER MOD Single : A 43 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.6) USER MOD Single : A 44 TYR OH : rot 154:sc= 0.633 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00851) USER MOD Single : A 50 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00441 USER MOD Single : A 60 SER OG : rot 106:sc= 1.23 USER MOD Single : A 62 MET CE :methyl -173:sc= -0.829 (180deg=-0.972) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.0931 X(o=0.093,f=-0.03) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0657) USER MOD Single : A 84 LYS NZ :NH3+ 158:sc= -0.237 (180deg=-0.617) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 90:sc=0.000697 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 9.732 -4.782 9.128 1.00 71.20 N ATOM 195 CA ARG A 13 8.545 -3.937 9.175 1.00 34.51 C ATOM 196 C ARG A 13 8.370 -3.171 7.868 1.00 53.33 C ATOM 197 O ARG A 13 7.248 -2.905 7.437 1.00 31.24 O ATOM 198 CB ARG A 13 8.638 -2.957 10.345 1.00 14.24 C ATOM 199 CG ARG A 13 9.933 -2.163 10.374 1.00 0.41 C ATOM 200 CD ARG A 13 10.834 -2.609 11.515 1.00 65.44 C ATOM 201 NE ARG A 13 10.904 -1.613 12.579 1.00 33.43 N ATOM 202 CZ ARG A 13 11.659 -1.748 13.664 1.00 52.52 C ATOM 203 NH1 ARG A 13 12.406 -2.830 13.825 1.00 63.32 N ATOM 204 NH2 ARG A 13 11.669 -0.796 14.590 1.00 33.31 N ATOM 0 HA ARG A 13 7.677 -4.581 9.317 1.00 34.51 H new ATOM 0 HB2 ARG A 13 7.798 -2.264 10.295 1.00 14.24 H new ATOM 0 HB3 ARG A 13 8.540 -3.510 11.279 1.00 14.24 H new ATOM 0 HG2 ARG A 13 10.457 -2.285 9.426 1.00 0.41 H new ATOM 0 HG3 ARG A 13 9.708 -1.102 10.480 1.00 0.41 H new ATOM 0 HD2 ARG A 13 10.463 -3.549 11.923 1.00 65.44 H new ATOM 0 HD3 ARG A 13 11.836 -2.801 11.132 1.00 65.44 H new ATOM 0 HE ARG A 13 10.343 -0.767 12.485 1.00 33.43 H new ATOM 0 HH11 ARG A 13 12.403 -3.562 13.115 1.00 63.32 H new ATOM 0 HH12 ARG A 13 12.985 -2.931 14.659 1.00 63.32 H new ATOM 0 HH21 ARG A 13 11.097 0.040 14.469 1.00 33.31 H new ATOM 0 HH22 ARG A 13 12.249 -0.900 15.423 1.00 33.31 H new ATOM 218 N SER A 14 9.488 -2.818 7.241 1.00 32.11 N ATOM 219 CA SER A 14 9.458 -2.078 5.985 1.00 41.01 C ATOM 220 C SER A 14 8.996 -2.972 4.839 1.00 54.41 C ATOM 221 O SER A 14 8.102 -2.608 4.076 1.00 10.20 O ATOM 222 CB SER A 14 10.843 -1.506 5.673 1.00 13.22 C ATOM 223 OG SER A 14 11.865 -2.301 6.249 1.00 40.05 O ATOM 0 H SER A 14 10.425 -3.032 7.582 1.00 32.11 H new ATOM 0 HA SER A 14 8.749 -1.257 6.092 1.00 41.01 H new ATOM 0 HB2 SER A 14 10.984 -1.454 4.593 1.00 13.22 H new ATOM 0 HB3 SER A 14 10.913 -0.487 6.053 1.00 13.22 H new ATOM 0 HG SER A 14 12.740 -1.915 6.034 1.00 40.05 H new ATOM 229 N ASN A 15 9.612 -4.144 4.724 1.00 13.52 N ATOM 230 CA ASN A 15 9.264 -5.091 3.670 1.00 2.44 C ATOM 231 C ASN A 15 7.868 -5.663 3.893 1.00 72.11 C ATOM 232 O ASN A 15 7.243 -6.178 2.966 1.00 43.30 O ATOM 233 CB ASN A 15 10.290 -6.225 3.617 1.00 13.42 C ATOM 234 CG ASN A 15 9.766 -7.444 2.883 1.00 42.42 C ATOM 235 OD1 ASN A 15 9.544 -7.404 1.672 1.00 21.30 O ATOM 236 ND2 ASN A 15 9.566 -8.534 3.613 1.00 24.53 N ATOM 0 H ASN A 15 10.355 -4.461 5.347 1.00 13.52 H new ATOM 0 HA ASN A 15 9.271 -4.558 2.719 1.00 2.44 H new ATOM 0 HB2 ASN A 15 11.196 -5.869 3.125 1.00 13.42 H new ATOM 0 HB3 ASN A 15 10.568 -6.507 4.632 1.00 13.42 H new ATOM 0 HD21 ASN A 15 9.214 -9.385 3.174 1.00 24.53 H new ATOM 0 HD22 ASN A 15 9.764 -8.521 4.614 1.00 24.53 H new ATOM 243 N GLN A 16 7.385 -5.568 5.128 1.00 32.40 N ATOM 244 CA GLN A 16 6.062 -6.077 5.471 1.00 12.03 C ATOM 245 C GLN A 16 4.984 -5.396 4.636 1.00 74.12 C ATOM 246 O GLN A 16 4.180 -6.059 3.982 1.00 21.44 O ATOM 247 CB GLN A 16 5.782 -5.863 6.960 1.00 31.32 C ATOM 248 CG GLN A 16 4.433 -6.405 7.408 1.00 3.25 C ATOM 249 CD GLN A 16 4.533 -7.790 8.015 1.00 23.20 C ATOM 250 OE1 GLN A 16 4.332 -8.795 7.333 1.00 1.14 O ATOM 251 NE2 GLN A 16 4.847 -7.851 9.305 1.00 54.53 N ATOM 0 H GLN A 16 7.889 -5.144 5.907 1.00 32.40 H new ATOM 0 HA GLN A 16 6.043 -7.145 5.254 1.00 12.03 H new ATOM 0 HB2 GLN A 16 6.569 -6.343 7.542 1.00 31.32 H new ATOM 0 HB3 GLN A 16 5.828 -4.797 7.181 1.00 31.32 H new ATOM 0 HG2 GLN A 16 3.996 -5.723 8.138 1.00 3.25 H new ATOM 0 HG3 GLN A 16 3.756 -6.435 6.554 1.00 3.25 H new ATOM 0 HE21 GLN A 16 5.005 -6.992 9.833 1.00 54.53 H new ATOM 0 HE22 GLN A 16 4.930 -8.756 9.767 1.00 54.53 H new ATOM 260 N ALA A 17 4.972 -4.067 4.663 1.00 53.44 N ATOM 261 CA ALA A 17 3.992 -3.296 3.906 1.00 43.12 C ATOM 262 C ALA A 17 3.941 -3.751 2.452 1.00 71.54 C ATOM 263 O ALA A 17 2.862 -3.933 1.888 1.00 70.52 O ATOM 264 CB ALA A 17 4.315 -1.811 3.986 1.00 53.24 C ATOM 0 H ALA A 17 5.629 -3.502 5.201 1.00 53.44 H new ATOM 0 HA ALA A 17 3.010 -3.468 4.347 1.00 43.12 H new ATOM 0 HB1 ALA A 17 3.576 -1.247 3.417 1.00 53.24 H new ATOM 0 HB2 ALA A 17 4.294 -1.490 5.027 1.00 53.24 H new ATOM 0 HB3 ALA A 17 5.307 -1.632 3.571 1.00 53.24 H new ATOM 270 N GLU A 18 5.113 -3.932 1.850 1.00 73.40 N ATOM 271 CA GLU A 18 5.198 -4.364 0.461 1.00 61.25 C ATOM 272 C GLU A 18 4.413 -5.654 0.242 1.00 20.52 C ATOM 273 O GLU A 18 3.651 -5.775 -0.716 1.00 63.25 O ATOM 274 CB GLU A 18 6.660 -4.570 0.057 1.00 33.20 C ATOM 275 CG GLU A 18 6.838 -4.981 -1.396 1.00 12.33 C ATOM 276 CD GLU A 18 8.023 -5.905 -1.599 1.00 11.21 C ATOM 277 OE1 GLU A 18 9.169 -5.409 -1.608 1.00 53.10 O ATOM 278 OE2 GLU A 18 7.804 -7.125 -1.750 1.00 20.44 O ATOM 0 H GLU A 18 6.015 -3.786 2.303 1.00 73.40 H new ATOM 0 HA GLU A 18 4.761 -3.584 -0.162 1.00 61.25 H new ATOM 0 HB2 GLU A 18 7.211 -3.646 0.235 1.00 33.20 H new ATOM 0 HB3 GLU A 18 7.101 -5.333 0.698 1.00 33.20 H new ATOM 0 HG2 GLU A 18 5.932 -5.477 -1.743 1.00 12.33 H new ATOM 0 HG3 GLU A 18 6.968 -4.089 -2.009 1.00 12.33 H new ATOM 285 N ASN A 19 4.605 -6.616 1.139 1.00 11.35 N ATOM 286 CA ASN A 19 3.915 -7.897 1.045 1.00 62.30 C ATOM 287 C ASN A 19 2.411 -7.721 1.225 1.00 13.53 C ATOM 288 O ASN A 19 1.614 -8.372 0.550 1.00 31.40 O ATOM 289 CB ASN A 19 4.455 -8.870 2.096 1.00 4.41 C ATOM 290 CG ASN A 19 5.880 -9.300 1.808 1.00 63.10 C ATOM 291 OD1 ASN A 19 6.363 -9.172 0.683 1.00 63.44 O ATOM 292 ND2 ASN A 19 6.560 -9.814 2.826 1.00 45.51 N ATOM 0 H ASN A 19 5.232 -6.533 1.939 1.00 11.35 H new ATOM 0 HA ASN A 19 4.098 -8.307 0.052 1.00 62.30 H new ATOM 0 HB2 ASN A 19 4.412 -8.400 3.078 1.00 4.41 H new ATOM 0 HB3 ASN A 19 3.814 -9.750 2.135 1.00 4.41 H new ATOM 0 HD21 ASN A 19 7.523 -10.122 2.692 1.00 45.51 H new ATOM 0 HD22 ASN A 19 6.119 -9.901 3.742 1.00 45.51 H new ATOM 299 N ILE A 20 2.030 -6.836 2.141 1.00 33.30 N ATOM 300 CA ILE A 20 0.622 -6.573 2.408 1.00 14.33 C ATOM 301 C ILE A 20 -0.095 -6.085 1.153 1.00 24.33 C ATOM 302 O ILE A 20 -1.094 -6.668 0.732 1.00 44.05 O ATOM 303 CB ILE A 20 0.448 -5.525 3.525 1.00 73.42 C ATOM 304 CG1 ILE A 20 1.070 -6.028 4.828 1.00 25.22 C ATOM 305 CG2 ILE A 20 -1.027 -5.205 3.725 1.00 4.50 C ATOM 306 CD1 ILE A 20 1.321 -4.934 5.841 1.00 42.42 C ATOM 0 H ILE A 20 2.677 -6.290 2.710 1.00 33.30 H new ATOM 0 HA ILE A 20 0.181 -7.516 2.732 1.00 14.33 H new ATOM 0 HB ILE A 20 0.962 -4.611 3.229 1.00 73.42 H new ATOM 0 HG12 ILE A 20 0.412 -6.777 5.270 1.00 25.22 H new ATOM 0 HG13 ILE A 20 2.013 -6.526 4.602 1.00 25.22 H new ATOM 0 HG21 ILE A 20 -1.134 -4.464 4.517 1.00 4.50 H new ATOM 0 HG22 ILE A 20 -1.442 -4.809 2.798 1.00 4.50 H new ATOM 0 HG23 ILE A 20 -1.562 -6.113 4.003 1.00 4.50 H new ATOM 0 HD11 ILE A 20 1.763 -5.365 6.740 1.00 42.42 H new ATOM 0 HD12 ILE A 20 2.003 -4.197 5.418 1.00 42.42 H new ATOM 0 HD13 ILE A 20 0.378 -4.451 6.096 1.00 42.42 H new ATOM 318 N ILE A 21 0.423 -5.014 0.561 1.00 22.10 N ATOM 319 CA ILE A 21 -0.165 -4.450 -0.647 1.00 72.52 C ATOM 320 C ILE A 21 -0.382 -5.526 -1.706 1.00 62.13 C ATOM 321 O ILE A 21 -1.415 -5.555 -2.377 1.00 44.50 O ATOM 322 CB ILE A 21 0.719 -3.336 -1.237 1.00 13.12 C ATOM 323 CG1 ILE A 21 0.919 -2.218 -0.212 1.00 64.13 C ATOM 324 CG2 ILE A 21 0.099 -2.787 -2.514 1.00 34.41 C ATOM 325 CD1 ILE A 21 1.970 -1.208 -0.617 1.00 63.24 C ATOM 0 H ILE A 21 1.249 -4.520 0.899 1.00 22.10 H new ATOM 0 HA ILE A 21 -1.127 -4.025 -0.361 1.00 72.52 H new ATOM 0 HB ILE A 21 1.694 -3.758 -1.482 1.00 13.12 H new ATOM 0 HG12 ILE A 21 -0.029 -1.702 -0.059 1.00 64.13 H new ATOM 0 HG13 ILE A 21 1.200 -2.659 0.744 1.00 64.13 H new ATOM 0 HG21 ILE A 21 0.736 -2.000 -2.919 1.00 34.41 H new ATOM 0 HG22 ILE A 21 0.003 -3.589 -3.246 1.00 34.41 H new ATOM 0 HG23 ILE A 21 -0.887 -2.378 -2.293 1.00 34.41 H new ATOM 0 HD11 ILE A 21 2.058 -0.445 0.156 1.00 63.24 H new ATOM 0 HD12 ILE A 21 2.929 -1.711 -0.742 1.00 63.24 H new ATOM 0 HD13 ILE A 21 1.681 -0.739 -1.558 1.00 63.24 H new ATOM 337 N THR A 22 0.599 -6.412 -1.851 1.00 70.13 N ATOM 338 CA THR A 22 0.516 -7.491 -2.828 1.00 74.01 C ATOM 339 C THR A 22 -0.735 -8.335 -2.610 1.00 42.31 C ATOM 340 O THR A 22 -1.288 -8.898 -3.555 1.00 21.04 O ATOM 341 CB THR A 22 1.755 -8.404 -2.764 1.00 2.31 C ATOM 342 OG1 THR A 22 2.909 -7.637 -2.401 1.00 64.34 O ATOM 343 CG2 THR A 22 1.993 -9.088 -4.101 1.00 64.32 C ATOM 0 H THR A 22 1.460 -6.403 -1.304 1.00 70.13 H new ATOM 0 HA THR A 22 0.469 -7.024 -3.812 1.00 74.01 H new ATOM 0 HB THR A 22 1.577 -9.171 -2.010 1.00 2.31 H new ATOM 0 HG1 THR A 22 2.917 -7.497 -1.431 1.00 64.34 H new ATOM 0 HG21 THR A 22 2.873 -9.727 -4.031 1.00 64.32 H new ATOM 0 HG22 THR A 22 1.124 -9.693 -4.360 1.00 64.32 H new ATOM 0 HG23 THR A 22 2.152 -8.334 -4.872 1.00 64.32 H new ATOM 351 N ASP A 23 -1.176 -8.419 -1.359 1.00 44.24 N ATOM 352 CA ASP A 23 -2.363 -9.193 -1.018 1.00 62.31 C ATOM 353 C ASP A 23 -3.588 -8.665 -1.758 1.00 61.14 C ATOM 354 O ASP A 23 -4.095 -9.308 -2.679 1.00 71.03 O ATOM 355 CB ASP A 23 -2.608 -9.154 0.492 1.00 51.22 C ATOM 356 CG ASP A 23 -3.741 -10.065 0.919 1.00 61.53 C ATOM 357 OD1 ASP A 23 -3.857 -11.173 0.353 1.00 4.24 O ATOM 358 OD2 ASP A 23 -4.511 -9.672 1.820 1.00 53.13 O ATOM 0 H ASP A 23 -0.729 -7.960 -0.565 1.00 44.24 H new ATOM 0 HA ASP A 23 -2.193 -10.225 -1.324 1.00 62.31 H new ATOM 0 HB2 ASP A 23 -1.696 -9.445 1.013 1.00 51.22 H new ATOM 0 HB3 ASP A 23 -2.835 -8.131 0.794 1.00 51.22 H new ATOM 363 N LEU A 24 -4.060 -7.493 -1.349 1.00 52.04 N ATOM 364 CA LEU A 24 -5.227 -6.878 -1.974 1.00 61.42 C ATOM 365 C LEU A 24 -5.091 -6.871 -3.493 1.00 12.34 C ATOM 366 O LEU A 24 -6.030 -7.217 -4.213 1.00 4.33 O ATOM 367 CB LEU A 24 -5.411 -5.449 -1.460 1.00 25.41 C ATOM 368 CG LEU A 24 -5.794 -5.311 0.014 1.00 34.41 C ATOM 369 CD1 LEU A 24 -6.119 -3.863 0.347 1.00 22.32 C ATOM 370 CD2 LEU A 24 -6.974 -6.213 0.346 1.00 62.00 C ATOM 0 H LEU A 24 -3.653 -6.949 -0.588 1.00 52.04 H new ATOM 0 HA LEU A 24 -6.104 -7.469 -1.709 1.00 61.42 H new ATOM 0 HB2 LEU A 24 -4.483 -4.902 -1.627 1.00 25.41 H new ATOM 0 HB3 LEU A 24 -6.180 -4.964 -2.062 1.00 25.41 H new ATOM 0 HG LEU A 24 -4.943 -5.621 0.621 1.00 34.41 H new ATOM 0 HD11 LEU A 24 -6.389 -3.784 1.400 1.00 22.32 H new ATOM 0 HD12 LEU A 24 -5.247 -3.239 0.148 1.00 22.32 H new ATOM 0 HD13 LEU A 24 -6.954 -3.527 -0.268 1.00 22.32 H new ATOM 0 HD21 LEU A 24 -7.232 -6.101 1.399 1.00 62.00 H new ATOM 0 HD22 LEU A 24 -7.830 -5.934 -0.269 1.00 62.00 H new ATOM 0 HD23 LEU A 24 -6.706 -7.251 0.146 1.00 62.00 H new ATOM 382 N LEU A 25 -3.918 -6.476 -3.975 1.00 64.20 N ATOM 383 CA LEU A 25 -3.658 -6.427 -5.410 1.00 13.34 C ATOM 384 C LEU A 25 -3.896 -7.788 -6.055 1.00 25.12 C ATOM 385 O LEU A 25 -4.466 -7.881 -7.142 1.00 13.35 O ATOM 386 CB LEU A 25 -2.222 -5.969 -5.672 1.00 44.10 C ATOM 387 CG LEU A 25 -2.030 -4.474 -5.930 1.00 13.13 C ATOM 388 CD1 LEU A 25 -2.711 -3.653 -4.845 1.00 64.44 C ATOM 389 CD2 LEU A 25 -0.550 -4.132 -6.008 1.00 44.32 C ATOM 0 H LEU A 25 -3.132 -6.185 -3.394 1.00 64.20 H new ATOM 0 HA LEU A 25 -4.349 -5.711 -5.855 1.00 13.34 H new ATOM 0 HB2 LEU A 25 -1.610 -6.251 -4.815 1.00 44.10 H new ATOM 0 HB3 LEU A 25 -1.838 -6.518 -6.532 1.00 44.10 H new ATOM 0 HG LEU A 25 -2.491 -4.228 -6.887 1.00 13.13 H new ATOM 0 HD11 LEU A 25 -2.564 -2.592 -5.045 1.00 64.44 H new ATOM 0 HD12 LEU A 25 -3.778 -3.876 -4.836 1.00 64.44 H new ATOM 0 HD13 LEU A 25 -2.280 -3.902 -3.875 1.00 64.44 H new ATOM 0 HD21 LEU A 25 -0.433 -3.064 -6.192 1.00 44.32 H new ATOM 0 HD22 LEU A 25 -0.066 -4.393 -5.067 1.00 44.32 H new ATOM 0 HD23 LEU A 25 -0.089 -4.693 -6.821 1.00 44.32 H new ATOM 401 N ASP A 26 -3.457 -8.842 -5.376 1.00 41.03 N ATOM 402 CA ASP A 26 -3.625 -10.200 -5.881 1.00 61.12 C ATOM 403 C ASP A 26 -5.104 -10.551 -6.016 1.00 11.31 C ATOM 404 O ASP A 26 -5.591 -10.814 -7.116 1.00 32.44 O ATOM 405 CB ASP A 26 -2.934 -11.201 -4.954 1.00 25.04 C ATOM 406 CG ASP A 26 -2.761 -12.563 -5.597 1.00 70.13 C ATOM 407 OD1 ASP A 26 -2.532 -12.614 -6.824 1.00 45.12 O ATOM 408 OD2 ASP A 26 -2.857 -13.578 -4.876 1.00 4.35 O ATOM 0 H ASP A 26 -2.982 -8.782 -4.475 1.00 41.03 H new ATOM 0 HA ASP A 26 -3.166 -10.253 -6.868 1.00 61.12 H new ATOM 0 HB2 ASP A 26 -1.957 -10.811 -4.667 1.00 25.04 H new ATOM 0 HB3 ASP A 26 -3.517 -11.306 -4.039 1.00 25.04 H new ATOM 413 N ASP A 27 -5.811 -10.553 -4.892 1.00 12.44 N ATOM 414 CA ASP A 27 -7.234 -10.871 -4.884 1.00 1.23 C ATOM 415 C ASP A 27 -8.015 -9.889 -5.753 1.00 0.14 C ATOM 416 O ASP A 27 -9.139 -10.170 -6.169 1.00 34.23 O ATOM 417 CB ASP A 27 -7.776 -10.848 -3.454 1.00 60.21 C ATOM 418 CG ASP A 27 -7.370 -12.075 -2.662 1.00 63.24 C ATOM 419 OD1 ASP A 27 -7.725 -13.198 -3.081 1.00 51.22 O ATOM 420 OD2 ASP A 27 -6.696 -11.915 -1.623 1.00 12.43 O ATOM 0 H ASP A 27 -5.422 -10.338 -3.974 1.00 12.44 H new ATOM 0 HA ASP A 27 -7.359 -11.873 -5.295 1.00 1.23 H new ATOM 0 HB2 ASP A 27 -7.414 -9.955 -2.945 1.00 60.21 H new ATOM 0 HB3 ASP A 27 -8.864 -10.780 -3.482 1.00 60.21 H new ATOM 425 N LEU A 28 -7.412 -8.736 -6.021 1.00 33.01 N ATOM 426 CA LEU A 28 -8.051 -7.711 -6.840 1.00 33.21 C ATOM 427 C LEU A 28 -8.150 -8.160 -8.295 1.00 31.04 C ATOM 428 O LEU A 28 -9.004 -7.685 -9.045 1.00 62.12 O ATOM 429 CB LEU A 28 -7.270 -6.400 -6.750 1.00 54.33 C ATOM 430 CG LEU A 28 -7.829 -5.349 -5.791 1.00 33.32 C ATOM 431 CD1 LEU A 28 -6.823 -4.228 -5.580 1.00 20.34 C ATOM 432 CD2 LEU A 28 -9.145 -4.793 -6.317 1.00 60.43 C ATOM 0 H LEU A 28 -6.482 -8.487 -5.684 1.00 33.01 H new ATOM 0 HA LEU A 28 -9.060 -7.552 -6.459 1.00 33.21 H new ATOM 0 HB2 LEU A 28 -6.248 -6.630 -6.449 1.00 54.33 H new ATOM 0 HB3 LEU A 28 -7.219 -5.962 -7.747 1.00 54.33 H new ATOM 0 HG LEU A 28 -8.017 -5.827 -4.830 1.00 33.32 H new ATOM 0 HD11 LEU A 28 -7.239 -3.490 -4.894 1.00 20.34 H new ATOM 0 HD12 LEU A 28 -5.905 -4.638 -5.159 1.00 20.34 H new ATOM 0 HD13 LEU A 28 -6.603 -3.752 -6.536 1.00 20.34 H new ATOM 0 HD21 LEU A 28 -9.528 -4.046 -5.622 1.00 60.43 H new ATOM 0 HD22 LEU A 28 -8.982 -4.332 -7.291 1.00 60.43 H new ATOM 0 HD23 LEU A 28 -9.868 -5.602 -6.415 1.00 60.43 H new ATOM 552 N SER A 36 -9.240 1.714 -11.009 1.00 63.25 N ATOM 553 CA SER A 36 -8.252 2.783 -11.102 1.00 21.44 C ATOM 554 C SER A 36 -7.586 3.024 -9.750 1.00 51.03 C ATOM 555 O SER A 36 -6.454 3.505 -9.680 1.00 30.21 O ATOM 556 CB SER A 36 -8.909 4.072 -11.596 1.00 73.24 C ATOM 557 OG SER A 36 -10.317 3.927 -11.683 1.00 62.24 O ATOM 0 HA SER A 36 -7.487 2.477 -11.816 1.00 21.44 H new ATOM 0 HB2 SER A 36 -8.666 4.890 -10.918 1.00 73.24 H new ATOM 0 HB3 SER A 36 -8.507 4.337 -12.574 1.00 73.24 H new ATOM 0 HG SER A 36 -10.548 2.975 -11.688 1.00 62.24 H new ATOM 563 N LEU A 37 -8.295 2.688 -8.679 1.00 73.24 N ATOM 564 CA LEU A 37 -7.775 2.868 -7.329 1.00 2.33 C ATOM 565 C LEU A 37 -6.465 2.107 -7.144 1.00 51.01 C ATOM 566 O LEU A 37 -5.550 2.580 -6.471 1.00 3.04 O ATOM 567 CB LEU A 37 -8.801 2.397 -6.298 1.00 23.50 C ATOM 568 CG LEU A 37 -8.832 3.169 -4.978 1.00 62.32 C ATOM 569 CD1 LEU A 37 -7.439 3.243 -4.370 1.00 60.14 C ATOM 570 CD2 LEU A 37 -9.398 4.565 -5.191 1.00 42.33 C ATOM 0 H LEU A 37 -9.233 2.289 -8.719 1.00 73.24 H new ATOM 0 HA LEU A 37 -7.581 3.930 -7.180 1.00 2.33 H new ATOM 0 HB2 LEU A 37 -9.791 2.451 -6.750 1.00 23.50 H new ATOM 0 HB3 LEU A 37 -8.608 1.347 -6.077 1.00 23.50 H new ATOM 0 HG LEU A 37 -9.481 2.637 -4.283 1.00 62.32 H new ATOM 0 HD11 LEU A 37 -7.481 3.796 -3.432 1.00 60.14 H new ATOM 0 HD12 LEU A 37 -7.070 2.235 -4.181 1.00 60.14 H new ATOM 0 HD13 LEU A 37 -6.767 3.752 -5.061 1.00 60.14 H new ATOM 0 HD21 LEU A 37 -9.413 5.100 -4.242 1.00 42.33 H new ATOM 0 HD22 LEU A 37 -8.774 5.106 -5.903 1.00 42.33 H new ATOM 0 HD23 LEU A 37 -10.413 4.490 -5.581 1.00 42.33 H new ATOM 582 N LYS A 38 -6.383 0.927 -7.749 1.00 0.24 N ATOM 583 CA LYS A 38 -5.185 0.102 -7.655 1.00 70.44 C ATOM 584 C LYS A 38 -3.937 0.912 -7.995 1.00 22.34 C ATOM 585 O LYS A 38 -2.849 0.637 -7.487 1.00 14.50 O ATOM 586 CB LYS A 38 -5.295 -1.102 -8.595 1.00 23.42 C ATOM 587 CG LYS A 38 -6.070 -2.267 -8.003 1.00 14.14 C ATOM 588 CD LYS A 38 -6.755 -3.087 -9.083 1.00 31.22 C ATOM 589 CE LYS A 38 -5.763 -3.965 -9.829 1.00 11.10 C ATOM 590 NZ LYS A 38 -5.082 -3.223 -10.926 1.00 70.42 N ATOM 0 H LYS A 38 -7.132 0.521 -8.310 1.00 0.24 H new ATOM 0 HA LYS A 38 -5.098 -0.252 -6.628 1.00 70.44 H new ATOM 0 HB2 LYS A 38 -5.779 -0.787 -9.520 1.00 23.42 H new ATOM 0 HB3 LYS A 38 -4.293 -1.440 -8.858 1.00 23.42 H new ATOM 0 HG2 LYS A 38 -5.393 -2.905 -7.435 1.00 14.14 H new ATOM 0 HG3 LYS A 38 -6.816 -1.891 -7.303 1.00 14.14 H new ATOM 0 HD2 LYS A 38 -7.528 -3.710 -8.633 1.00 31.22 H new ATOM 0 HD3 LYS A 38 -7.253 -2.420 -9.787 1.00 31.22 H new ATOM 0 HE2 LYS A 38 -5.018 -4.345 -9.131 1.00 11.10 H new ATOM 0 HE3 LYS A 38 -6.282 -4.829 -10.243 1.00 11.10 H new ATOM 0 HZ1 LYS A 38 -4.836 -3.883 -11.691 1.00 70.42 H new ATOM 0 HZ2 LYS A 38 -5.718 -2.487 -11.295 1.00 70.42 H new ATOM 0 HZ3 LYS A 38 -4.216 -2.779 -10.559 1.00 70.42 H new ATOM 604 N LYS A 39 -4.102 1.911 -8.855 1.00 32.13 N ATOM 605 CA LYS A 39 -2.991 2.764 -9.259 1.00 70.23 C ATOM 606 C LYS A 39 -2.272 3.335 -8.042 1.00 13.45 C ATOM 607 O LYS A 39 -1.058 3.539 -8.064 1.00 54.14 O ATOM 608 CB LYS A 39 -3.494 3.902 -10.151 1.00 4.35 C ATOM 609 CG LYS A 39 -4.063 5.076 -9.373 1.00 12.53 C ATOM 610 CD LYS A 39 -4.886 5.989 -10.265 1.00 12.31 C ATOM 611 CE LYS A 39 -4.056 6.542 -11.414 1.00 43.53 C ATOM 612 NZ LYS A 39 -2.855 7.276 -10.928 1.00 50.12 N ATOM 0 H LYS A 39 -4.995 2.150 -9.286 1.00 32.13 H new ATOM 0 HA LYS A 39 -2.284 2.155 -9.822 1.00 70.23 H new ATOM 0 HB2 LYS A 39 -2.673 4.254 -10.775 1.00 4.35 H new ATOM 0 HB3 LYS A 39 -4.261 3.515 -10.822 1.00 4.35 H new ATOM 0 HG2 LYS A 39 -4.684 4.706 -8.557 1.00 12.53 H new ATOM 0 HG3 LYS A 39 -3.249 5.644 -8.922 1.00 12.53 H new ATOM 0 HD2 LYS A 39 -5.739 5.439 -10.663 1.00 12.31 H new ATOM 0 HD3 LYS A 39 -5.286 6.813 -9.674 1.00 12.31 H new ATOM 0 HE2 LYS A 39 -3.744 5.724 -12.063 1.00 43.53 H new ATOM 0 HE3 LYS A 39 -4.671 7.210 -12.017 1.00 43.53 H new ATOM 0 HZ1 LYS A 39 -2.420 7.792 -11.719 1.00 50.12 H new ATOM 0 HZ2 LYS A 39 -3.136 7.950 -10.188 1.00 50.12 H new ATOM 0 HZ3 LYS A 39 -2.169 6.599 -10.537 1.00 50.12 H new ATOM 626 N VAL A 40 -3.028 3.591 -6.980 1.00 32.05 N ATOM 627 CA VAL A 40 -2.462 4.137 -5.752 1.00 52.10 C ATOM 628 C VAL A 40 -1.550 3.124 -5.070 1.00 11.04 C ATOM 629 O VAL A 40 -0.381 3.405 -4.802 1.00 1.13 O ATOM 630 CB VAL A 40 -3.566 4.563 -4.766 1.00 14.13 C ATOM 631 CG1 VAL A 40 -3.050 4.525 -3.335 1.00 43.45 C ATOM 632 CG2 VAL A 40 -4.086 5.949 -5.116 1.00 35.00 C ATOM 0 H VAL A 40 -4.034 3.429 -6.945 1.00 32.05 H new ATOM 0 HA VAL A 40 -1.879 5.014 -6.034 1.00 52.10 H new ATOM 0 HB VAL A 40 -4.393 3.857 -4.847 1.00 14.13 H new ATOM 0 HG11 VAL A 40 -3.844 4.829 -2.654 1.00 43.45 H new ATOM 0 HG12 VAL A 40 -2.730 3.512 -3.090 1.00 43.45 H new ATOM 0 HG13 VAL A 40 -2.205 5.206 -3.235 1.00 43.45 H new ATOM 0 HG21 VAL A 40 -4.865 6.234 -4.409 1.00 35.00 H new ATOM 0 HG22 VAL A 40 -3.268 6.668 -5.064 1.00 35.00 H new ATOM 0 HG23 VAL A 40 -4.497 5.939 -6.125 1.00 35.00 H new ATOM 642 N LEU A 41 -2.092 1.944 -4.789 1.00 61.13 N ATOM 643 CA LEU A 41 -1.327 0.885 -4.138 1.00 4.54 C ATOM 644 C LEU A 41 -0.133 0.471 -4.993 1.00 34.51 C ATOM 645 O LEU A 41 0.998 0.417 -4.513 1.00 13.52 O ATOM 646 CB LEU A 41 -2.220 -0.326 -3.867 1.00 14.42 C ATOM 647 CG LEU A 41 -3.151 -0.216 -2.658 1.00 4.11 C ATOM 648 CD1 LEU A 41 -2.352 0.066 -1.395 1.00 21.04 C ATOM 649 CD2 LEU A 41 -4.194 0.867 -2.884 1.00 72.41 C ATOM 0 H LEU A 41 -3.058 1.696 -5.002 1.00 61.13 H new ATOM 0 HA LEU A 41 -0.954 1.272 -3.189 1.00 4.54 H new ATOM 0 HB2 LEU A 41 -2.828 -0.510 -4.753 1.00 14.42 H new ATOM 0 HB3 LEU A 41 -1.582 -1.200 -3.731 1.00 14.42 H new ATOM 0 HG LEU A 41 -3.667 -1.168 -2.533 1.00 4.11 H new ATOM 0 HD11 LEU A 41 -3.030 0.141 -0.545 1.00 21.04 H new ATOM 0 HD12 LEU A 41 -1.644 -0.745 -1.224 1.00 21.04 H new ATOM 0 HD13 LEU A 41 -1.809 1.004 -1.510 1.00 21.04 H new ATOM 0 HD21 LEU A 41 -4.847 0.931 -2.014 1.00 72.41 H new ATOM 0 HD22 LEU A 41 -3.697 1.825 -3.035 1.00 72.41 H new ATOM 0 HD23 LEU A 41 -4.787 0.623 -3.765 1.00 72.41 H new ATOM 661 N GLU A 42 -0.396 0.180 -6.264 1.00 63.23 N ATOM 662 CA GLU A 42 0.657 -0.229 -7.186 1.00 44.03 C ATOM 663 C GLU A 42 1.771 0.813 -7.237 1.00 12.41 C ATOM 664 O GLU A 42 2.937 0.503 -7.000 1.00 22.31 O ATOM 665 CB GLU A 42 0.083 -0.447 -8.587 1.00 14.41 C ATOM 666 CG GLU A 42 -0.786 -1.687 -8.703 1.00 55.11 C ATOM 667 CD GLU A 42 -0.147 -2.771 -9.548 1.00 51.24 C ATOM 668 OE1 GLU A 42 1.099 -2.844 -9.577 1.00 43.44 O ATOM 669 OE2 GLU A 42 -0.893 -3.547 -10.181 1.00 30.13 O ATOM 0 H GLU A 42 -1.328 0.220 -6.677 1.00 63.23 H new ATOM 0 HA GLU A 42 1.077 -1.167 -6.824 1.00 44.03 H new ATOM 0 HB2 GLU A 42 -0.505 0.426 -8.869 1.00 14.41 H new ATOM 0 HB3 GLU A 42 0.905 -0.522 -9.299 1.00 14.41 H new ATOM 0 HG2 GLU A 42 -0.987 -2.080 -7.706 1.00 55.11 H new ATOM 0 HG3 GLU A 42 -1.747 -1.413 -9.137 1.00 55.11 H new ATOM 676 N ASN A 43 1.400 2.051 -7.548 1.00 4.30 N ATOM 677 CA ASN A 43 2.368 3.139 -7.632 1.00 32.03 C ATOM 678 C ASN A 43 3.231 3.198 -6.375 1.00 32.23 C ATOM 679 O ASN A 43 4.436 2.954 -6.425 1.00 62.23 O ATOM 680 CB ASN A 43 1.648 4.475 -7.833 1.00 22.33 C ATOM 681 CG ASN A 43 2.611 5.641 -7.933 1.00 42.22 C ATOM 682 OD1 ASN A 43 3.814 5.454 -8.116 1.00 11.22 O ATOM 683 ND2 ASN A 43 2.085 6.855 -7.812 1.00 71.45 N ATOM 0 H ASN A 43 0.438 2.326 -7.746 1.00 4.30 H new ATOM 0 HA ASN A 43 3.016 2.950 -8.488 1.00 32.03 H new ATOM 0 HB2 ASN A 43 1.045 4.427 -8.740 1.00 22.33 H new ATOM 0 HB3 ASN A 43 0.962 4.644 -7.003 1.00 22.33 H new ATOM 0 HD21 ASN A 43 2.684 7.678 -7.870 1.00 71.45 H new ATOM 0 HD22 ASN A 43 1.082 6.964 -7.661 1.00 71.45 H new ATOM 690 N TYR A 44 2.605 3.524 -5.249 1.00 34.51 N ATOM 691 CA TYR A 44 3.315 3.616 -3.979 1.00 50.31 C ATOM 692 C TYR A 44 4.126 2.352 -3.715 1.00 62.24 C ATOM 693 O TYR A 44 5.262 2.416 -3.241 1.00 74.21 O ATOM 694 CB TYR A 44 2.327 3.851 -2.835 1.00 62.11 C ATOM 695 CG TYR A 44 1.827 5.275 -2.748 1.00 45.11 C ATOM 696 CD1 TYR A 44 2.713 6.334 -2.587 1.00 21.11 C ATOM 697 CD2 TYR A 44 0.471 5.562 -2.826 1.00 21.21 C ATOM 698 CE1 TYR A 44 2.261 7.637 -2.507 1.00 35.00 C ATOM 699 CE2 TYR A 44 0.010 6.862 -2.748 1.00 51.40 C ATOM 700 CZ TYR A 44 0.909 7.896 -2.588 1.00 53.25 C ATOM 701 OH TYR A 44 0.453 9.192 -2.509 1.00 42.21 O ATOM 0 H TYR A 44 1.608 3.729 -5.190 1.00 34.51 H new ATOM 0 HA TYR A 44 4.002 4.460 -4.036 1.00 50.31 H new ATOM 0 HB2 TYR A 44 1.475 3.183 -2.959 1.00 62.11 H new ATOM 0 HB3 TYR A 44 2.806 3.585 -1.893 1.00 62.11 H new ATOM 0 HD1 TYR A 44 3.773 6.135 -2.523 1.00 21.11 H new ATOM 0 HD2 TYR A 44 -0.236 4.755 -2.950 1.00 21.21 H new ATOM 0 HE1 TYR A 44 2.963 8.448 -2.382 1.00 35.00 H new ATOM 0 HE2 TYR A 44 -1.048 7.068 -2.812 1.00 51.40 H new ATOM 0 HH TYR A 44 -0.404 9.267 -2.979 1.00 42.21 H new ATOM 711 N LEU A 45 3.536 1.203 -4.025 1.00 42.25 N ATOM 712 CA LEU A 45 4.203 -0.078 -3.823 1.00 64.04 C ATOM 713 C LEU A 45 5.534 -0.124 -4.568 1.00 12.32 C ATOM 714 O LEU A 45 6.498 -0.727 -4.098 1.00 2.03 O ATOM 715 CB LEU A 45 3.303 -1.223 -4.292 1.00 45.14 C ATOM 716 CG LEU A 45 3.972 -2.592 -4.421 1.00 70.14 C ATOM 717 CD1 LEU A 45 3.326 -3.593 -3.475 1.00 44.43 C ATOM 718 CD2 LEU A 45 3.898 -3.089 -5.858 1.00 32.35 C ATOM 0 H LEU A 45 2.597 1.132 -4.417 1.00 42.25 H new ATOM 0 HA LEU A 45 4.401 -0.192 -2.757 1.00 64.04 H new ATOM 0 HB2 LEU A 45 2.470 -1.312 -3.595 1.00 45.14 H new ATOM 0 HB3 LEU A 45 2.881 -0.954 -5.261 1.00 45.14 H new ATOM 0 HG LEU A 45 5.022 -2.489 -4.147 1.00 70.14 H new ATOM 0 HD11 LEU A 45 3.815 -4.561 -3.581 1.00 44.43 H new ATOM 0 HD12 LEU A 45 3.431 -3.243 -2.448 1.00 44.43 H new ATOM 0 HD13 LEU A 45 2.268 -3.692 -3.718 1.00 44.43 H new ATOM 0 HD21 LEU A 45 4.379 -4.064 -5.931 1.00 32.35 H new ATOM 0 HD22 LEU A 45 2.854 -3.176 -6.160 1.00 32.35 H new ATOM 0 HD23 LEU A 45 4.408 -2.383 -6.514 1.00 32.35 H new ATOM 730 N GLU A 46 5.577 0.520 -5.730 1.00 3.24 N ATOM 731 CA GLU A 46 6.791 0.553 -6.538 1.00 53.42 C ATOM 732 C GLU A 46 7.795 1.552 -5.970 1.00 45.24 C ATOM 733 O GLU A 46 8.997 1.445 -6.215 1.00 14.54 O ATOM 734 CB GLU A 46 6.456 0.918 -7.986 1.00 71.50 C ATOM 735 CG GLU A 46 7.096 -0.004 -9.010 1.00 43.01 C ATOM 736 CD GLU A 46 8.552 -0.296 -8.702 1.00 31.43 C ATOM 737 OE1 GLU A 46 9.357 0.658 -8.676 1.00 73.01 O ATOM 738 OE2 GLU A 46 8.886 -1.480 -8.486 1.00 21.53 O ATOM 0 H GLU A 46 4.787 1.025 -6.132 1.00 3.24 H new ATOM 0 HA GLU A 46 7.240 -0.440 -6.515 1.00 53.42 H new ATOM 0 HB2 GLU A 46 5.374 0.896 -8.116 1.00 71.50 H new ATOM 0 HB3 GLU A 46 6.780 1.941 -8.178 1.00 71.50 H new ATOM 0 HG2 GLU A 46 6.541 -0.941 -9.046 1.00 43.01 H new ATOM 0 HG3 GLU A 46 7.021 0.449 -9.998 1.00 43.01 H new ATOM 745 N GLU A 47 7.294 2.521 -5.212 1.00 35.41 N ATOM 746 CA GLU A 47 8.146 3.539 -4.611 1.00 3.13 C ATOM 747 C GLU A 47 9.111 2.917 -3.605 1.00 34.42 C ATOM 748 O GLU A 47 10.329 3.049 -3.731 1.00 41.34 O ATOM 749 CB GLU A 47 7.295 4.609 -3.923 1.00 25.33 C ATOM 750 CG GLU A 47 6.307 5.292 -4.853 1.00 62.11 C ATOM 751 CD GLU A 47 6.946 6.394 -5.674 1.00 2.31 C ATOM 752 OE1 GLU A 47 8.065 6.824 -5.322 1.00 24.11 O ATOM 753 OE2 GLU A 47 6.329 6.828 -6.669 1.00 52.42 O ATOM 0 H GLU A 47 6.302 2.623 -4.999 1.00 35.41 H new ATOM 0 HA GLU A 47 8.727 4.004 -5.407 1.00 3.13 H new ATOM 0 HB2 GLU A 47 6.748 4.152 -3.098 1.00 25.33 H new ATOM 0 HB3 GLU A 47 7.954 5.362 -3.490 1.00 25.33 H new ATOM 0 HG2 GLU A 47 5.872 4.550 -5.523 1.00 62.11 H new ATOM 0 HG3 GLU A 47 5.489 5.709 -4.265 1.00 62.11 H new ATOM 760 N LEU A 48 8.558 2.237 -2.606 1.00 14.12 N ATOM 761 CA LEU A 48 9.368 1.594 -1.577 1.00 54.32 C ATOM 762 C LEU A 48 10.473 0.750 -2.204 1.00 61.31 C ATOM 763 O LEU A 48 11.518 0.522 -1.592 1.00 55.44 O ATOM 764 CB LEU A 48 8.489 0.720 -0.681 1.00 50.34 C ATOM 765 CG LEU A 48 7.450 -0.145 -1.397 1.00 41.23 C ATOM 766 CD1 LEU A 48 8.028 -1.513 -1.722 1.00 65.33 C ATOM 767 CD2 LEU A 48 6.194 -0.282 -0.548 1.00 44.54 C ATOM 0 H LEU A 48 7.552 2.117 -2.487 1.00 14.12 H new ATOM 0 HA LEU A 48 9.830 2.374 -0.972 1.00 54.32 H new ATOM 0 HB2 LEU A 48 9.137 0.066 -0.097 1.00 50.34 H new ATOM 0 HB3 LEU A 48 7.969 1.367 0.026 1.00 50.34 H new ATOM 0 HG LEU A 48 7.180 0.344 -2.333 1.00 41.23 H new ATOM 0 HD11 LEU A 48 7.275 -2.115 -2.231 1.00 65.33 H new ATOM 0 HD12 LEU A 48 8.897 -1.396 -2.369 1.00 65.33 H new ATOM 0 HD13 LEU A 48 8.327 -2.010 -0.799 1.00 65.33 H new ATOM 0 HD21 LEU A 48 5.466 -0.900 -1.073 1.00 44.54 H new ATOM 0 HD22 LEU A 48 6.447 -0.749 0.404 1.00 44.54 H new ATOM 0 HD23 LEU A 48 5.768 0.705 -0.366 1.00 44.54 H new ATOM 779 N LYS A 49 10.237 0.290 -3.428 1.00 4.31 N ATOM 780 CA LYS A 49 11.214 -0.526 -4.140 1.00 72.21 C ATOM 781 C LYS A 49 12.474 0.276 -4.445 1.00 64.12 C ATOM 782 O LYS A 49 13.589 -0.190 -4.208 1.00 15.03 O ATOM 783 CB LYS A 49 10.610 -1.061 -5.441 1.00 24.35 C ATOM 784 CG LYS A 49 9.248 -1.707 -5.258 1.00 74.51 C ATOM 785 CD LYS A 49 9.346 -3.004 -4.472 1.00 52.24 C ATOM 786 CE LYS A 49 8.010 -3.728 -4.423 1.00 22.52 C ATOM 787 NZ LYS A 49 7.693 -4.398 -5.714 1.00 63.15 N ATOM 0 H LYS A 49 9.378 0.468 -3.948 1.00 4.31 H new ATOM 0 HA LYS A 49 11.485 -1.365 -3.500 1.00 72.21 H new ATOM 0 HB2 LYS A 49 10.521 -0.242 -6.155 1.00 24.35 H new ATOM 0 HB3 LYS A 49 11.293 -1.790 -5.876 1.00 24.35 H new ATOM 0 HG2 LYS A 49 8.583 -1.016 -4.740 1.00 74.51 H new ATOM 0 HG3 LYS A 49 8.804 -1.905 -6.234 1.00 74.51 H new ATOM 0 HD2 LYS A 49 10.095 -3.651 -4.928 1.00 52.24 H new ATOM 0 HD3 LYS A 49 9.683 -2.791 -3.458 1.00 52.24 H new ATOM 0 HE2 LYS A 49 8.028 -4.469 -3.624 1.00 22.52 H new ATOM 0 HE3 LYS A 49 7.221 -3.017 -4.180 1.00 22.52 H new ATOM 0 HZ1 LYS A 49 6.808 -4.936 -5.618 1.00 63.15 H new ATOM 0 HZ2 LYS A 49 7.583 -3.681 -6.459 1.00 63.15 H new ATOM 0 HZ3 LYS A 49 8.466 -5.046 -5.968 1.00 63.15 H new ATOM 801 N GLN A 50 12.290 1.483 -4.970 1.00 52.13 N ATOM 802 CA GLN A 50 13.414 2.349 -5.306 1.00 13.41 C ATOM 803 C GLN A 50 13.981 3.014 -4.056 1.00 11.42 C ATOM 804 O GLN A 50 13.616 2.664 -2.933 1.00 42.05 O ATOM 805 CB GLN A 50 12.980 3.416 -6.313 1.00 20.31 C ATOM 806 CG GLN A 50 12.116 2.873 -7.439 1.00 71.41 C ATOM 807 CD GLN A 50 12.155 3.745 -8.679 1.00 5.34 C ATOM 808 OE1 GLN A 50 13.071 4.550 -8.856 1.00 21.21 O ATOM 809 NE2 GLN A 50 11.161 3.591 -9.544 1.00 51.24 N ATOM 0 H GLN A 50 11.374 1.883 -5.172 1.00 52.13 H new ATOM 0 HA GLN A 50 14.194 1.733 -5.754 1.00 13.41 H new ATOM 0 HB2 GLN A 50 12.430 4.197 -5.788 1.00 20.31 H new ATOM 0 HB3 GLN A 50 13.867 3.883 -6.740 1.00 20.31 H new ATOM 0 HG2 GLN A 50 12.451 1.868 -7.696 1.00 71.41 H new ATOM 0 HG3 GLN A 50 11.086 2.787 -7.092 1.00 71.41 H new ATOM 0 HE21 GLN A 50 10.423 2.912 -9.357 1.00 51.24 H new ATOM 0 HE22 GLN A 50 11.135 4.151 -10.396 1.00 51.24 H new ATOM 818 N LYS A 51 14.876 3.977 -4.257 1.00 62.42 N ATOM 819 CA LYS A 51 15.494 4.692 -3.148 1.00 61.30 C ATOM 820 C LYS A 51 15.134 6.173 -3.188 1.00 13.32 C ATOM 821 O LYS A 51 15.721 6.984 -2.472 1.00 40.31 O ATOM 822 CB LYS A 51 17.014 4.524 -3.189 1.00 44.22 C ATOM 823 CG LYS A 51 17.617 4.782 -4.560 1.00 21.22 C ATOM 824 CD LYS A 51 19.051 5.276 -4.453 1.00 73.24 C ATOM 825 CE LYS A 51 20.030 4.120 -4.320 1.00 33.10 C ATOM 826 NZ LYS A 51 21.444 4.583 -4.369 1.00 71.55 N ATOM 0 H LYS A 51 15.189 4.280 -5.179 1.00 62.42 H new ATOM 0 HA LYS A 51 15.113 4.269 -2.218 1.00 61.30 H new ATOM 0 HB2 LYS A 51 17.466 5.205 -2.468 1.00 44.22 H new ATOM 0 HB3 LYS A 51 17.268 3.512 -2.874 1.00 44.22 H new ATOM 0 HG2 LYS A 51 17.590 3.865 -5.149 1.00 21.22 H new ATOM 0 HG3 LYS A 51 17.015 5.520 -5.090 1.00 21.22 H new ATOM 0 HD2 LYS A 51 19.301 5.866 -5.335 1.00 73.24 H new ATOM 0 HD3 LYS A 51 19.146 5.936 -3.591 1.00 73.24 H new ATOM 0 HE2 LYS A 51 19.851 3.599 -3.380 1.00 33.10 H new ATOM 0 HE3 LYS A 51 19.855 3.402 -5.121 1.00 33.10 H new ATOM 0 HZ1 LYS A 51 22.080 3.766 -4.275 1.00 71.55 H new ATOM 0 HZ2 LYS A 51 21.622 5.058 -5.277 1.00 71.55 H new ATOM 0 HZ3 LYS A 51 21.618 5.249 -3.589 1.00 71.55 H new ATOM 840 N SER A 52 14.163 6.520 -4.028 1.00 42.12 N ATOM 841 CA SER A 52 13.726 7.905 -4.162 1.00 70.33 C ATOM 842 C SER A 52 12.677 8.248 -3.110 1.00 62.13 C ATOM 843 O SER A 52 12.111 9.340 -3.115 1.00 10.52 O ATOM 844 CB SER A 52 13.160 8.149 -5.563 1.00 21.03 C ATOM 845 OG SER A 52 14.177 8.068 -6.545 1.00 50.32 O ATOM 0 H SER A 52 13.664 5.861 -4.626 1.00 42.12 H new ATOM 0 HA SER A 52 14.591 8.550 -4.010 1.00 70.33 H new ATOM 0 HB2 SER A 52 12.384 7.415 -5.778 1.00 21.03 H new ATOM 0 HB3 SER A 52 12.689 9.131 -5.602 1.00 21.03 H new ATOM 0 HG SER A 52 13.789 8.226 -7.431 1.00 50.32 H new ATOM 851 N ALA A 53 12.422 7.305 -2.208 1.00 3.42 N ATOM 852 CA ALA A 53 11.443 7.508 -1.147 1.00 31.31 C ATOM 853 C ALA A 53 11.615 6.477 -0.036 1.00 45.45 C ATOM 854 O ALA A 53 11.755 5.283 -0.301 1.00 0.24 O ATOM 855 CB ALA A 53 10.032 7.446 -1.713 1.00 22.44 C ATOM 0 H ALA A 53 12.880 6.394 -2.191 1.00 3.42 H new ATOM 0 HA ALA A 53 11.608 8.496 -0.718 1.00 31.31 H new ATOM 0 HB1 ALA A 53 9.311 7.599 -0.910 1.00 22.44 H new ATOM 0 HB2 ALA A 53 9.907 8.224 -2.466 1.00 22.44 H new ATOM 0 HB3 ALA A 53 9.865 6.470 -2.169 1.00 22.44 H new ATOM 861 N SER A 54 11.607 6.947 1.207 1.00 33.11 N ATOM 862 CA SER A 54 11.768 6.066 2.359 1.00 54.33 C ATOM 863 C SER A 54 10.489 5.277 2.620 1.00 74.13 C ATOM 864 O SER A 54 9.396 5.698 2.240 1.00 22.33 O ATOM 865 CB SER A 54 12.142 6.878 3.600 1.00 54.22 C ATOM 866 OG SER A 54 12.931 8.004 3.255 1.00 71.14 O ATOM 0 H SER A 54 11.491 7.933 1.443 1.00 33.11 H new ATOM 0 HA SER A 54 12.571 5.362 2.139 1.00 54.33 H new ATOM 0 HB2 SER A 54 11.236 7.207 4.109 1.00 54.22 H new ATOM 0 HB3 SER A 54 12.690 6.247 4.300 1.00 54.22 H new ATOM 0 HG SER A 54 13.155 8.507 4.066 1.00 71.14 H new ATOM 872 N VAL A 55 10.634 4.127 3.272 1.00 71.03 N ATOM 873 CA VAL A 55 9.492 3.278 3.587 1.00 73.41 C ATOM 874 C VAL A 55 8.389 4.072 4.279 1.00 3.20 C ATOM 875 O VAL A 55 7.250 4.131 3.817 1.00 11.14 O ATOM 876 CB VAL A 55 9.901 2.097 4.487 1.00 23.42 C ATOM 877 CG1 VAL A 55 8.749 1.691 5.394 1.00 54.04 C ATOM 878 CG2 VAL A 55 10.366 0.920 3.642 1.00 20.40 C ATOM 0 H VAL A 55 11.531 3.763 3.592 1.00 71.03 H new ATOM 0 HA VAL A 55 9.117 2.890 2.640 1.00 73.41 H new ATOM 0 HB VAL A 55 10.732 2.414 5.117 1.00 23.42 H new ATOM 0 HG11 VAL A 55 9.058 0.855 6.022 1.00 54.04 H new ATOM 0 HG12 VAL A 55 8.468 2.534 6.025 1.00 54.04 H new ATOM 0 HG13 VAL A 55 7.895 1.392 4.786 1.00 54.04 H new ATOM 0 HG21 VAL A 55 10.651 0.094 4.294 1.00 20.40 H new ATOM 0 HG22 VAL A 55 9.556 0.601 2.986 1.00 20.40 H new ATOM 0 HG23 VAL A 55 11.224 1.220 3.040 1.00 20.40 H new ATOM 888 N PRO A 56 8.735 4.698 5.413 1.00 4.11 N ATOM 889 CA PRO A 56 7.790 5.502 6.193 1.00 23.44 C ATOM 890 C PRO A 56 7.403 6.794 5.483 1.00 62.41 C ATOM 891 O PRO A 56 6.412 7.437 5.836 1.00 25.41 O ATOM 892 CB PRO A 56 8.562 5.809 7.479 1.00 65.12 C ATOM 893 CG PRO A 56 9.997 5.728 7.088 1.00 71.40 C ATOM 894 CD PRO A 56 10.076 4.670 6.022 1.00 12.02 C ATOM 0 HA PRO A 56 6.849 4.977 6.359 1.00 23.44 H new ATOM 0 HB2 PRO A 56 8.312 6.797 7.864 1.00 65.12 H new ATOM 0 HB3 PRO A 56 8.325 5.091 8.264 1.00 65.12 H new ATOM 0 HG2 PRO A 56 10.354 6.687 6.713 1.00 71.40 H new ATOM 0 HG3 PRO A 56 10.621 5.468 7.943 1.00 71.40 H new ATOM 0 HD2 PRO A 56 10.854 4.893 5.292 1.00 12.02 H new ATOM 0 HD3 PRO A 56 10.306 3.691 6.443 1.00 12.02 H new ATOM 902 N LEU A 57 8.189 7.170 4.480 1.00 34.43 N ATOM 903 CA LEU A 57 7.927 8.387 3.719 1.00 1.42 C ATOM 904 C LEU A 57 6.879 8.139 2.639 1.00 34.21 C ATOM 905 O LEU A 57 6.186 9.061 2.210 1.00 13.43 O ATOM 906 CB LEU A 57 9.220 8.901 3.082 1.00 64.34 C ATOM 907 CG LEU A 57 10.004 9.932 3.893 1.00 13.21 C ATOM 908 CD1 LEU A 57 9.269 11.264 3.916 1.00 41.15 C ATOM 909 CD2 LEU A 57 10.242 9.428 5.309 1.00 50.51 C ATOM 0 H LEU A 57 9.012 6.650 4.175 1.00 34.43 H new ATOM 0 HA LEU A 57 7.542 9.140 4.406 1.00 1.42 H new ATOM 0 HB2 LEU A 57 9.871 8.048 2.890 1.00 64.34 H new ATOM 0 HB3 LEU A 57 8.975 9.339 2.114 1.00 64.34 H new ATOM 0 HG LEU A 57 10.972 10.082 3.415 1.00 13.21 H new ATOM 0 HD11 LEU A 57 9.842 11.986 4.498 1.00 41.15 H new ATOM 0 HD12 LEU A 57 9.151 11.632 2.897 1.00 41.15 H new ATOM 0 HD13 LEU A 57 8.287 11.130 4.370 1.00 41.15 H new ATOM 0 HD21 LEU A 57 10.802 10.175 5.872 1.00 50.51 H new ATOM 0 HD22 LEU A 57 9.284 9.248 5.797 1.00 50.51 H new ATOM 0 HD23 LEU A 57 10.811 8.499 5.274 1.00 50.51 H new ATOM 921 N ILE A 58 6.767 6.888 2.206 1.00 23.12 N ATOM 922 CA ILE A 58 5.800 6.519 1.180 1.00 73.11 C ATOM 923 C ILE A 58 4.476 6.088 1.802 1.00 65.14 C ATOM 924 O ILE A 58 3.413 6.594 1.438 1.00 23.55 O ATOM 925 CB ILE A 58 6.331 5.380 0.290 1.00 44.40 C ATOM 926 CG1 ILE A 58 7.654 5.788 -0.362 1.00 51.23 C ATOM 927 CG2 ILE A 58 5.304 5.013 -0.771 1.00 2.13 C ATOM 928 CD1 ILE A 58 8.563 4.618 -0.669 1.00 54.11 C ATOM 0 H ILE A 58 7.334 6.113 2.550 1.00 23.12 H new ATOM 0 HA ILE A 58 5.639 7.405 0.565 1.00 73.11 H new ATOM 0 HB ILE A 58 6.509 4.504 0.914 1.00 44.40 H new ATOM 0 HG12 ILE A 58 7.443 6.326 -1.286 1.00 51.23 H new ATOM 0 HG13 ILE A 58 8.177 6.480 0.298 1.00 51.23 H new ATOM 0 HG21 ILE A 58 5.694 4.207 -1.392 1.00 2.13 H new ATOM 0 HG22 ILE A 58 4.383 4.686 -0.288 1.00 2.13 H new ATOM 0 HG23 ILE A 58 5.098 5.883 -1.394 1.00 2.13 H new ATOM 0 HD11 ILE A 58 9.481 4.982 -1.130 1.00 54.11 H new ATOM 0 HD12 ILE A 58 8.804 4.092 0.255 1.00 54.11 H new ATOM 0 HD13 ILE A 58 8.059 3.936 -1.354 1.00 54.11 H new ATOM 940 N LEU A 59 4.548 5.151 2.741 1.00 71.31 N ATOM 941 CA LEU A 59 3.354 4.651 3.416 1.00 40.52 C ATOM 942 C LEU A 59 2.600 5.787 4.100 1.00 1.34 C ATOM 943 O LEU A 59 1.372 5.774 4.174 1.00 52.45 O ATOM 944 CB LEU A 59 3.735 3.584 4.443 1.00 13.24 C ATOM 945 CG LEU A 59 4.132 2.220 3.879 1.00 11.24 C ATOM 946 CD1 LEU A 59 4.498 1.263 5.003 1.00 74.23 C ATOM 947 CD2 LEU A 59 3.007 1.645 3.031 1.00 34.53 C ATOM 0 H LEU A 59 5.419 4.722 3.052 1.00 71.31 H new ATOM 0 HA LEU A 59 2.700 4.207 2.665 1.00 40.52 H new ATOM 0 HB2 LEU A 59 4.564 3.963 5.040 1.00 13.24 H new ATOM 0 HB3 LEU A 59 2.893 3.443 5.120 1.00 13.24 H new ATOM 0 HG LEU A 59 5.007 2.352 3.243 1.00 11.24 H new ATOM 0 HD11 LEU A 59 4.778 0.297 4.582 1.00 74.23 H new ATOM 0 HD12 LEU A 59 5.337 1.669 5.568 1.00 74.23 H new ATOM 0 HD13 LEU A 59 3.642 1.136 5.666 1.00 74.23 H new ATOM 0 HD21 LEU A 59 3.308 0.674 2.638 1.00 34.53 H new ATOM 0 HD22 LEU A 59 2.113 1.528 3.644 1.00 34.53 H new ATOM 0 HD23 LEU A 59 2.793 2.321 2.203 1.00 34.53 H new ATOM 959 N SER A 60 3.345 6.770 4.598 1.00 72.31 N ATOM 960 CA SER A 60 2.747 7.913 5.277 1.00 24.11 C ATOM 961 C SER A 60 1.758 8.630 4.364 1.00 11.33 C ATOM 962 O SER A 60 0.595 8.825 4.721 1.00 1.23 O ATOM 963 CB SER A 60 3.835 8.886 5.736 1.00 30.40 C ATOM 964 OG SER A 60 4.328 8.533 7.016 1.00 2.32 O ATOM 0 H SER A 60 4.363 6.797 4.544 1.00 72.31 H new ATOM 0 HA SER A 60 2.207 7.545 6.150 1.00 24.11 H new ATOM 0 HB2 SER A 60 4.653 8.888 5.016 1.00 30.40 H new ATOM 0 HB3 SER A 60 3.433 9.899 5.764 1.00 30.40 H new ATOM 0 HG SER A 60 5.217 8.131 6.925 1.00 2.32 H new ATOM 970 N ARG A 61 2.227 9.023 3.184 1.00 25.23 N ATOM 971 CA ARG A 61 1.385 9.720 2.220 1.00 23.34 C ATOM 972 C ARG A 61 0.386 8.763 1.577 1.00 23.54 C ATOM 973 O ARG A 61 -0.720 9.158 1.212 1.00 31.45 O ATOM 974 CB ARG A 61 2.247 10.376 1.140 1.00 71.14 C ATOM 975 CG ARG A 61 2.589 11.828 1.431 1.00 10.01 C ATOM 976 CD ARG A 61 3.665 11.943 2.499 1.00 62.21 C ATOM 977 NE ARG A 61 3.886 13.328 2.907 1.00 40.10 N ATOM 978 CZ ARG A 61 4.613 14.192 2.210 1.00 40.20 C ATOM 979 NH1 ARG A 61 5.188 13.817 1.075 1.00 22.44 N ATOM 980 NH2 ARG A 61 4.767 15.436 2.646 1.00 4.22 N ATOM 0 H ARG A 61 3.186 8.870 2.873 1.00 25.23 H new ATOM 0 HA ARG A 61 0.830 10.492 2.752 1.00 23.34 H new ATOM 0 HB2 ARG A 61 3.171 9.809 1.031 1.00 71.14 H new ATOM 0 HB3 ARG A 61 1.724 10.319 0.185 1.00 71.14 H new ATOM 0 HG2 ARG A 61 2.929 12.313 0.516 1.00 10.01 H new ATOM 0 HG3 ARG A 61 1.693 12.356 1.757 1.00 10.01 H new ATOM 0 HD2 ARG A 61 3.378 11.351 3.368 1.00 62.21 H new ATOM 0 HD3 ARG A 61 4.597 11.523 2.121 1.00 62.21 H new ATOM 0 HE ARG A 61 3.458 13.649 3.776 1.00 40.10 H new ATOM 0 HH11 ARG A 61 5.072 12.862 0.736 1.00 22.44 H new ATOM 0 HH12 ARG A 61 5.746 14.484 0.542 1.00 22.44 H new ATOM 0 HH21 ARG A 61 4.326 15.729 3.518 1.00 4.22 H new ATOM 0 HH22 ARG A 61 5.326 16.099 2.109 1.00 4.22 H new ATOM 994 N MET A 62 0.784 7.502 1.443 1.00 44.41 N ATOM 995 CA MET A 62 -0.076 6.488 0.845 1.00 12.14 C ATOM 996 C MET A 62 -1.444 6.471 1.519 1.00 32.32 C ATOM 997 O MET A 62 -2.467 6.699 0.875 1.00 63.14 O ATOM 998 CB MET A 62 0.575 5.108 0.952 1.00 65.21 C ATOM 999 CG MET A 62 -0.229 4.003 0.286 1.00 13.12 C ATOM 1000 SD MET A 62 0.610 2.409 0.332 1.00 43.44 S ATOM 1001 CE MET A 62 -0.060 1.715 1.840 1.00 10.12 C ATOM 0 H MET A 62 1.697 7.158 1.741 1.00 44.41 H new ATOM 0 HA MET A 62 -0.211 6.737 -0.208 1.00 12.14 H new ATOM 0 HB2 MET A 62 1.566 5.147 0.501 1.00 65.21 H new ATOM 0 HB3 MET A 62 0.713 4.861 2.005 1.00 65.21 H new ATOM 0 HG2 MET A 62 -1.196 3.914 0.781 1.00 13.12 H new ATOM 0 HG3 MET A 62 -0.425 4.276 -0.751 1.00 13.12 H new ATOM 0 HE1 MET A 62 0.455 0.783 2.072 1.00 10.12 H new ATOM 0 HE2 MET A 62 0.080 2.421 2.659 1.00 10.12 H new ATOM 0 HE3 MET A 62 -1.124 1.518 1.709 1.00 10.12 H new ATOM 1011 N ASN A 63 -1.455 6.199 2.820 1.00 11.23 N ATOM 1012 CA ASN A 63 -2.698 6.152 3.581 1.00 30.42 C ATOM 1013 C ASN A 63 -3.505 7.432 3.387 1.00 51.44 C ATOM 1014 O ASN A 63 -4.736 7.408 3.379 1.00 50.11 O ATOM 1015 CB ASN A 63 -2.402 5.943 5.068 1.00 35.34 C ATOM 1016 CG ASN A 63 -3.297 4.889 5.693 1.00 50.42 C ATOM 1017 OD1 ASN A 63 -3.306 3.735 5.266 1.00 52.43 O ATOM 1018 ND2 ASN A 63 -4.053 5.283 6.710 1.00 32.11 N ATOM 0 H ASN A 63 -0.617 6.008 3.369 1.00 11.23 H new ATOM 0 HA ASN A 63 -3.288 5.313 3.213 1.00 30.42 H new ATOM 0 HB2 ASN A 63 -1.359 5.650 5.190 1.00 35.34 H new ATOM 0 HB3 ASN A 63 -2.532 6.887 5.598 1.00 35.34 H new ATOM 0 HD21 ASN A 63 -4.674 4.618 7.171 1.00 32.11 H new ATOM 0 HD22 ASN A 63 -4.013 6.250 7.031 1.00 32.11 H new ATOM 1025 N LEU A 64 -2.803 8.548 3.229 1.00 12.53 N ATOM 1026 CA LEU A 64 -3.453 9.840 3.033 1.00 45.13 C ATOM 1027 C LEU A 64 -4.079 9.929 1.645 1.00 62.11 C ATOM 1028 O LEU A 64 -5.075 10.626 1.446 1.00 41.44 O ATOM 1029 CB LEU A 64 -2.445 10.975 3.224 1.00 64.44 C ATOM 1030 CG LEU A 64 -1.711 11.003 4.565 1.00 32.25 C ATOM 1031 CD1 LEU A 64 -0.484 11.896 4.483 1.00 3.55 C ATOM 1032 CD2 LEU A 64 -2.643 11.474 5.672 1.00 24.51 C ATOM 0 H LEU A 64 -1.784 8.585 3.233 1.00 12.53 H new ATOM 0 HA LEU A 64 -4.245 9.937 3.776 1.00 45.13 H new ATOM 0 HB2 LEU A 64 -1.703 10.913 2.428 1.00 64.44 H new ATOM 0 HB3 LEU A 64 -2.968 11.923 3.099 1.00 64.44 H new ATOM 0 HG LEU A 64 -1.382 9.990 4.800 1.00 32.25 H new ATOM 0 HD11 LEU A 64 0.026 11.904 5.447 1.00 3.55 H new ATOM 0 HD12 LEU A 64 0.192 11.515 3.718 1.00 3.55 H new ATOM 0 HD13 LEU A 64 -0.789 12.910 4.226 1.00 3.55 H new ATOM 0 HD21 LEU A 64 -2.105 11.488 6.620 1.00 24.51 H new ATOM 0 HD22 LEU A 64 -3.001 12.478 5.443 1.00 24.51 H new ATOM 0 HD23 LEU A 64 -3.492 10.794 5.747 1.00 24.51 H new ATOM 1044 N ASP A 65 -3.491 9.218 0.690 1.00 61.43 N ATOM 1045 CA ASP A 65 -3.994 9.214 -0.679 1.00 40.14 C ATOM 1046 C ASP A 65 -5.107 8.185 -0.846 1.00 74.13 C ATOM 1047 O ASP A 65 -6.055 8.400 -1.604 1.00 23.54 O ATOM 1048 CB ASP A 65 -2.858 8.918 -1.661 1.00 71.14 C ATOM 1049 CG ASP A 65 -3.085 9.556 -3.017 1.00 11.41 C ATOM 1050 OD1 ASP A 65 -4.203 10.059 -3.257 1.00 62.03 O ATOM 1051 OD2 ASP A 65 -2.144 9.554 -3.839 1.00 51.00 O ATOM 0 H ASP A 65 -2.666 8.637 0.838 1.00 61.43 H new ATOM 0 HA ASP A 65 -4.402 10.202 -0.893 1.00 40.14 H new ATOM 0 HB2 ASP A 65 -1.918 9.280 -1.245 1.00 71.14 H new ATOM 0 HB3 ASP A 65 -2.758 7.839 -1.782 1.00 71.14 H new ATOM 1056 N ILE A 66 -4.986 7.069 -0.136 1.00 75.42 N ATOM 1057 CA ILE A 66 -5.983 6.008 -0.206 1.00 44.01 C ATOM 1058 C ILE A 66 -7.307 6.456 0.402 1.00 34.14 C ATOM 1059 O ILE A 66 -8.351 6.401 -0.248 1.00 13.23 O ATOM 1060 CB ILE A 66 -5.503 4.736 0.518 1.00 42.23 C ATOM 1061 CG1 ILE A 66 -4.240 4.188 -0.150 1.00 3.22 C ATOM 1062 CG2 ILE A 66 -6.602 3.684 0.527 1.00 74.23 C ATOM 1063 CD1 ILE A 66 -3.633 3.010 0.580 1.00 14.43 C ATOM 0 H ILE A 66 -4.208 6.876 0.494 1.00 75.42 H new ATOM 0 HA ILE A 66 -6.129 5.782 -1.262 1.00 44.01 H new ATOM 0 HB ILE A 66 -5.264 4.992 1.550 1.00 42.23 H new ATOM 0 HG12 ILE A 66 -4.479 3.889 -1.170 1.00 3.22 H new ATOM 0 HG13 ILE A 66 -3.499 4.985 -0.217 1.00 3.22 H new ATOM 0 HG21 ILE A 66 -6.247 2.791 1.042 1.00 74.23 H new ATOM 0 HG22 ILE A 66 -7.478 4.077 1.044 1.00 74.23 H new ATOM 0 HG23 ILE A 66 -6.870 3.429 -0.498 1.00 74.23 H new ATOM 0 HD11 ILE A 66 -2.742 2.674 0.050 1.00 14.43 H new ATOM 0 HD12 ILE A 66 -3.362 3.310 1.592 1.00 14.43 H new ATOM 0 HD13 ILE A 66 -4.357 2.197 0.624 1.00 14.43 H new ATOM 1075 N SER A 67 -7.257 6.902 1.654 1.00 60.23 N ATOM 1076 CA SER A 67 -8.452 7.359 2.351 1.00 35.22 C ATOM 1077 C SER A 67 -9.191 8.412 1.531 1.00 52.32 C ATOM 1078 O SER A 67 -10.403 8.321 1.328 1.00 43.32 O ATOM 1079 CB SER A 67 -8.083 7.930 3.721 1.00 32.04 C ATOM 1080 OG SER A 67 -9.240 8.309 4.445 1.00 15.11 O ATOM 0 H SER A 67 -6.401 6.956 2.206 1.00 60.23 H new ATOM 0 HA SER A 67 -9.111 6.502 2.488 1.00 35.22 H new ATOM 0 HB2 SER A 67 -7.522 7.187 4.289 1.00 32.04 H new ATOM 0 HB3 SER A 67 -7.430 8.794 3.594 1.00 32.04 H new ATOM 0 HG SER A 67 -8.977 8.669 5.317 1.00 15.11 H new ATOM 1086 N LYS A 68 -8.452 9.412 1.062 1.00 30.50 N ATOM 1087 CA LYS A 68 -9.034 10.483 0.262 1.00 1.32 C ATOM 1088 C LYS A 68 -9.591 9.942 -1.051 1.00 3.44 C ATOM 1089 O LYS A 68 -10.575 10.459 -1.579 1.00 3.23 O ATOM 1090 CB LYS A 68 -7.986 11.562 -0.021 1.00 72.31 C ATOM 1091 CG LYS A 68 -6.967 11.159 -1.073 1.00 62.05 C ATOM 1092 CD LYS A 68 -6.118 12.341 -1.509 1.00 73.01 C ATOM 1093 CE LYS A 68 -5.258 12.861 -0.368 1.00 70.44 C ATOM 1094 NZ LYS A 68 -4.640 14.176 -0.694 1.00 14.12 N ATOM 0 H LYS A 68 -7.449 9.503 1.222 1.00 30.50 H new ATOM 0 HA LYS A 68 -9.855 10.922 0.829 1.00 1.32 H new ATOM 0 HB2 LYS A 68 -8.492 12.471 -0.346 1.00 72.31 H new ATOM 0 HB3 LYS A 68 -7.464 11.802 0.905 1.00 72.31 H new ATOM 0 HG2 LYS A 68 -6.323 10.375 -0.675 1.00 62.05 H new ATOM 0 HG3 LYS A 68 -7.482 10.741 -1.938 1.00 62.05 H new ATOM 0 HD2 LYS A 68 -5.480 12.044 -2.341 1.00 73.01 H new ATOM 0 HD3 LYS A 68 -6.764 13.140 -1.872 1.00 73.01 H new ATOM 0 HE2 LYS A 68 -5.867 12.959 0.531 1.00 70.44 H new ATOM 0 HE3 LYS A 68 -4.474 12.137 -0.145 1.00 70.44 H new ATOM 0 HZ1 LYS A 68 -4.062 14.496 0.109 1.00 14.12 H new ATOM 0 HZ2 LYS A 68 -4.038 14.077 -1.537 1.00 14.12 H new ATOM 0 HZ3 LYS A 68 -5.388 14.874 -0.882 1.00 14.12 H new ATOM 1108 N ALA A 69 -8.954 8.898 -1.572 1.00 32.21 N ATOM 1109 CA ALA A 69 -9.389 8.285 -2.822 1.00 5.24 C ATOM 1110 C ALA A 69 -10.748 7.613 -2.660 1.00 3.54 C ATOM 1111 O ALA A 69 -11.465 7.401 -3.638 1.00 33.31 O ATOM 1112 CB ALA A 69 -8.354 7.278 -3.301 1.00 50.45 C ATOM 0 H ALA A 69 -8.136 8.459 -1.149 1.00 32.21 H new ATOM 0 HA ALA A 69 -9.490 9.072 -3.570 1.00 5.24 H new ATOM 0 HB1 ALA A 69 -8.690 6.827 -4.235 1.00 50.45 H new ATOM 0 HB2 ALA A 69 -7.402 7.784 -3.464 1.00 50.45 H new ATOM 0 HB3 ALA A 69 -8.227 6.500 -2.548 1.00 50.45 H new ATOM 1118 N ILE A 70 -11.095 7.281 -1.422 1.00 22.13 N ATOM 1119 CA ILE A 70 -12.369 6.634 -1.134 1.00 21.25 C ATOM 1120 C ILE A 70 -13.540 7.546 -1.482 1.00 72.35 C ATOM 1121 O ILE A 70 -14.281 7.286 -2.431 1.00 61.45 O ATOM 1122 CB ILE A 70 -12.472 6.229 0.349 1.00 60.43 C ATOM 1123 CG1 ILE A 70 -11.214 5.476 0.784 1.00 62.42 C ATOM 1124 CG2 ILE A 70 -13.712 5.378 0.581 1.00 71.41 C ATOM 1125 CD1 ILE A 70 -11.282 4.953 2.202 1.00 60.43 C ATOM 0 H ILE A 70 -10.512 7.449 -0.602 1.00 22.13 H new ATOM 0 HA ILE A 70 -12.414 5.737 -1.752 1.00 21.25 H new ATOM 0 HB ILE A 70 -12.557 7.133 0.952 1.00 60.43 H new ATOM 0 HG12 ILE A 70 -11.048 4.640 0.105 1.00 62.42 H new ATOM 0 HG13 ILE A 70 -10.353 6.138 0.691 1.00 62.42 H new ATOM 0 HG21 ILE A 70 -13.771 5.100 1.633 1.00 71.41 H new ATOM 0 HG22 ILE A 70 -14.600 5.947 0.306 1.00 71.41 H new ATOM 0 HG23 ILE A 70 -13.654 4.477 -0.030 1.00 71.41 H new ATOM 0 HD11 ILE A 70 -10.356 4.430 2.442 1.00 60.43 H new ATOM 0 HD12 ILE A 70 -11.417 5.787 2.891 1.00 60.43 H new ATOM 0 HD13 ILE A 70 -12.122 4.265 2.296 1.00 60.43 H new ATOM 1137 N ARG A 71 -13.700 8.615 -0.712 1.00 33.02 N ATOM 1138 CA ARG A 71 -14.781 9.566 -0.940 1.00 15.21 C ATOM 1139 C ARG A 71 -14.709 10.143 -2.350 1.00 51.22 C ATOM 1140 O ARG A 71 -15.697 10.138 -3.085 1.00 64.34 O ATOM 1141 CB ARG A 71 -14.720 10.698 0.089 1.00 60.42 C ATOM 1142 CG ARG A 71 -14.550 10.212 1.519 1.00 33.12 C ATOM 1143 CD ARG A 71 -15.366 11.048 2.492 1.00 53.10 C ATOM 1144 NE ARG A 71 -15.260 10.555 3.862 1.00 62.32 N ATOM 1145 CZ ARG A 71 -14.185 10.727 4.623 1.00 21.23 C ATOM 1146 NH1 ARG A 71 -13.132 11.378 4.152 1.00 50.45 N ATOM 1147 NH2 ARG A 71 -14.163 10.248 5.860 1.00 32.35 N ATOM 0 H ARG A 71 -13.095 8.845 0.076 1.00 33.02 H new ATOM 0 HA ARG A 71 -15.727 9.035 -0.830 1.00 15.21 H new ATOM 0 HB2 ARG A 71 -13.892 11.361 -0.161 1.00 60.42 H new ATOM 0 HB3 ARG A 71 -15.633 11.289 0.021 1.00 60.42 H new ATOM 0 HG2 ARG A 71 -14.856 9.168 1.589 1.00 33.12 H new ATOM 0 HG3 ARG A 71 -13.497 10.254 1.796 1.00 33.12 H new ATOM 0 HD2 ARG A 71 -15.027 12.083 2.452 1.00 53.10 H new ATOM 0 HD3 ARG A 71 -16.412 11.043 2.185 1.00 53.10 H new ATOM 0 HE ARG A 71 -16.054 10.051 4.256 1.00 62.32 H new ATOM 0 HH11 ARG A 71 -13.145 11.749 3.202 1.00 50.45 H new ATOM 0 HH12 ARG A 71 -12.308 11.508 4.739 1.00 50.45 H new ATOM 0 HH21 ARG A 71 -14.972 9.747 6.227 1.00 32.35 H new ATOM 0 HH22 ARG A 71 -13.337 10.381 6.444 1.00 32.35 H new ATOM 1161 N ASN A 72 -13.534 10.641 -2.721 1.00 54.34 N ATOM 1162 CA ASN A 72 -13.334 11.222 -4.045 1.00 25.24 C ATOM 1163 C ASN A 72 -13.804 10.266 -5.136 1.00 21.55 C ATOM 1164 O ASN A 72 -14.864 10.460 -5.731 1.00 13.45 O ATOM 1165 CB ASN A 72 -11.858 11.567 -4.254 1.00 3.43 C ATOM 1166 CG ASN A 72 -11.482 12.901 -3.638 1.00 32.04 C ATOM 1167 OD1 ASN A 72 -11.212 13.871 -4.345 1.00 72.23 O ATOM 1168 ND2 ASN A 72 -11.463 12.955 -2.310 1.00 75.55 N ATOM 0 H ASN A 72 -12.706 10.654 -2.125 1.00 54.34 H new ATOM 0 HA ASN A 72 -13.927 12.135 -4.108 1.00 25.24 H new ATOM 0 HB2 ASN A 72 -11.239 10.782 -3.819 1.00 3.43 H new ATOM 0 HB3 ASN A 72 -11.641 11.589 -5.322 1.00 3.43 H new ATOM 0 HD21 ASN A 72 -11.218 13.825 -1.838 1.00 75.55 H new ATOM 0 HD22 ASN A 72 -11.694 12.126 -1.763 1.00 75.55 H new ATOM 1175 N ASP A 73 -13.009 9.233 -5.393 1.00 0.33 N ATOM 1176 CA ASP A 73 -13.345 8.245 -6.411 1.00 62.35 C ATOM 1177 C ASP A 73 -14.759 7.710 -6.205 1.00 42.52 C ATOM 1178 O ASP A 73 -15.620 7.856 -7.071 1.00 63.31 O ATOM 1179 CB ASP A 73 -12.340 7.092 -6.383 1.00 74.20 C ATOM 1180 CG ASP A 73 -12.325 6.305 -7.679 1.00 54.23 C ATOM 1181 OD1 ASP A 73 -13.262 6.477 -8.488 1.00 51.35 O ATOM 1182 OD2 ASP A 73 -11.377 5.520 -7.886 1.00 60.51 O ATOM 0 H ASP A 73 -12.128 9.058 -4.910 1.00 0.33 H new ATOM 0 HA ASP A 73 -13.300 8.733 -7.385 1.00 62.35 H new ATOM 0 HB2 ASP A 73 -11.343 7.488 -6.190 1.00 74.20 H new ATOM 0 HB3 ASP A 73 -12.582 6.423 -5.558 1.00 74.20 H new ATOM 1187 N GLY A 74 -14.989 7.090 -5.052 1.00 40.33 N ATOM 1188 CA GLY A 74 -16.299 6.542 -4.754 1.00 24.35 C ATOM 1189 C GLY A 74 -16.261 5.045 -4.515 1.00 4.33 C ATOM 1190 O GLY A 74 -17.287 4.370 -4.593 1.00 43.23 O ATOM 0 H GLY A 74 -14.292 6.957 -4.319 1.00 40.33 H new ATOM 0 HA2 GLY A 74 -16.705 7.037 -3.872 1.00 24.35 H new ATOM 0 HA3 GLY A 74 -16.976 6.758 -5.580 1.00 24.35 H new ATOM 1194 N VAL A 75 -15.073 4.524 -4.222 1.00 13.33 N ATOM 1195 CA VAL A 75 -14.905 3.099 -3.971 1.00 63.40 C ATOM 1196 C VAL A 75 -15.150 2.766 -2.504 1.00 5.40 C ATOM 1197 O VAL A 75 -15.419 3.651 -1.691 1.00 11.51 O ATOM 1198 CB VAL A 75 -13.494 2.622 -4.365 1.00 64.14 C ATOM 1199 CG1 VAL A 75 -13.312 2.681 -5.875 1.00 25.45 C ATOM 1200 CG2 VAL A 75 -12.434 3.455 -3.659 1.00 31.42 C ATOM 0 H VAL A 75 -14.213 5.069 -4.153 1.00 13.33 H new ATOM 0 HA VAL A 75 -15.641 2.581 -4.586 1.00 63.40 H new ATOM 0 HB VAL A 75 -13.379 1.585 -4.050 1.00 64.14 H new ATOM 0 HG11 VAL A 75 -12.310 2.340 -6.134 1.00 25.45 H new ATOM 0 HG12 VAL A 75 -14.049 2.038 -6.356 1.00 25.45 H new ATOM 0 HG13 VAL A 75 -13.447 3.707 -6.218 1.00 25.45 H new ATOM 0 HG21 VAL A 75 -11.443 3.105 -3.949 1.00 31.42 H new ATOM 0 HG22 VAL A 75 -12.546 4.502 -3.942 1.00 31.42 H new ATOM 0 HG23 VAL A 75 -12.553 3.356 -2.580 1.00 31.42 H new ATOM 1210 N THR A 76 -15.055 1.483 -2.168 1.00 52.15 N ATOM 1211 CA THR A 76 -15.267 1.032 -0.800 1.00 11.14 C ATOM 1212 C THR A 76 -14.426 -0.201 -0.490 1.00 32.24 C ATOM 1213 O THR A 76 -14.558 -1.236 -1.145 1.00 54.23 O ATOM 1214 CB THR A 76 -16.750 0.707 -0.538 1.00 15.41 C ATOM 1215 OG1 THR A 76 -17.582 1.721 -1.113 1.00 43.01 O ATOM 1216 CG2 THR A 76 -17.026 0.603 0.955 1.00 50.03 C ATOM 0 H THR A 76 -14.832 0.737 -2.827 1.00 52.15 H new ATOM 0 HA THR A 76 -14.961 1.850 -0.148 1.00 11.14 H new ATOM 0 HB THR A 76 -16.976 -0.254 -1.000 1.00 15.41 H new ATOM 0 HG1 THR A 76 -18.523 1.507 -0.944 1.00 43.01 H new ATOM 0 HG21 THR A 76 -18.079 0.373 1.115 1.00 50.03 H new ATOM 0 HG22 THR A 76 -16.412 -0.189 1.384 1.00 50.03 H new ATOM 0 HG23 THR A 76 -16.784 1.551 1.437 1.00 50.03 H new ATOM 1224 N LEU A 77 -13.562 -0.086 0.513 1.00 54.32 N ATOM 1225 CA LEU A 77 -12.700 -1.193 0.911 1.00 43.12 C ATOM 1226 C LEU A 77 -13.491 -2.256 1.666 1.00 34.21 C ATOM 1227 O LEU A 77 -14.252 -1.944 2.582 1.00 13.11 O ATOM 1228 CB LEU A 77 -11.550 -0.683 1.781 1.00 33.11 C ATOM 1229 CG LEU A 77 -10.741 0.483 1.210 1.00 74.24 C ATOM 1230 CD1 LEU A 77 -11.083 1.776 1.934 1.00 24.22 C ATOM 1231 CD2 LEU A 77 -9.251 0.194 1.303 1.00 22.13 C ATOM 0 H LEU A 77 -13.440 0.763 1.065 1.00 54.32 H new ATOM 0 HA LEU A 77 -12.291 -1.645 0.007 1.00 43.12 H new ATOM 0 HB2 LEU A 77 -11.958 -0.378 2.745 1.00 33.11 H new ATOM 0 HB3 LEU A 77 -10.869 -1.513 1.971 1.00 33.11 H new ATOM 0 HG LEU A 77 -11.002 0.601 0.158 1.00 74.24 H new ATOM 0 HD11 LEU A 77 -10.498 2.594 1.514 1.00 24.22 H new ATOM 0 HD12 LEU A 77 -12.145 1.990 1.814 1.00 24.22 H new ATOM 0 HD13 LEU A 77 -10.852 1.672 2.994 1.00 24.22 H new ATOM 0 HD21 LEU A 77 -8.691 1.034 0.892 1.00 22.13 H new ATOM 0 HD22 LEU A 77 -8.973 0.048 2.347 1.00 22.13 H new ATOM 0 HD23 LEU A 77 -9.019 -0.708 0.737 1.00 22.13 H new ATOM 1243 N SER A 78 -13.305 -3.514 1.276 1.00 11.31 N ATOM 1244 CA SER A 78 -14.003 -4.623 1.916 1.00 42.42 C ATOM 1245 C SER A 78 -13.506 -4.826 3.343 1.00 21.33 C ATOM 1246 O SER A 78 -12.637 -4.096 3.821 1.00 43.04 O ATOM 1247 CB SER A 78 -13.808 -5.908 1.108 1.00 12.32 C ATOM 1248 OG SER A 78 -13.693 -5.628 -0.276 1.00 62.21 O ATOM 0 H SER A 78 -12.677 -3.790 0.521 1.00 11.31 H new ATOM 0 HA SER A 78 -15.065 -4.381 1.951 1.00 42.42 H new ATOM 0 HB2 SER A 78 -12.913 -6.426 1.453 1.00 12.32 H new ATOM 0 HB3 SER A 78 -14.650 -6.579 1.278 1.00 12.32 H new ATOM 0 HG SER A 78 -13.567 -6.465 -0.770 1.00 62.21 H new ATOM 1254 N ASP A 79 -14.066 -5.823 4.021 1.00 22.12 N ATOM 1255 CA ASP A 79 -13.680 -6.124 5.395 1.00 31.32 C ATOM 1256 C ASP A 79 -12.170 -6.307 5.509 1.00 53.44 C ATOM 1257 O ASP A 79 -11.478 -5.481 6.104 1.00 63.33 O ATOM 1258 CB ASP A 79 -14.397 -7.384 5.883 1.00 33.53 C ATOM 1259 CG ASP A 79 -15.837 -7.116 6.275 1.00 41.32 C ATOM 1260 OD1 ASP A 79 -16.313 -5.983 6.048 1.00 64.44 O ATOM 1261 OD2 ASP A 79 -16.488 -8.038 6.810 1.00 33.12 O ATOM 0 H ASP A 79 -14.788 -6.436 3.642 1.00 22.12 H new ATOM 0 HA ASP A 79 -13.973 -5.282 6.021 1.00 31.32 H new ATOM 0 HB2 ASP A 79 -14.372 -8.140 5.098 1.00 33.53 H new ATOM 0 HB3 ASP A 79 -13.861 -7.795 6.739 1.00 33.53 H new ATOM 1266 N TYR A 80 -11.667 -7.394 4.934 1.00 23.14 N ATOM 1267 CA TYR A 80 -10.239 -7.687 4.975 1.00 42.54 C ATOM 1268 C TYR A 80 -9.423 -6.491 4.491 1.00 15.01 C ATOM 1269 O TYR A 80 -8.318 -6.244 4.974 1.00 72.24 O ATOM 1270 CB TYR A 80 -9.925 -8.913 4.115 1.00 4.52 C ATOM 1271 CG TYR A 80 -10.245 -8.724 2.650 1.00 34.13 C ATOM 1272 CD1 TYR A 80 -11.546 -8.862 2.181 1.00 0.40 C ATOM 1273 CD2 TYR A 80 -9.249 -8.409 1.735 1.00 64.51 C ATOM 1274 CE1 TYR A 80 -11.844 -8.690 0.842 1.00 35.22 C ATOM 1275 CE2 TYR A 80 -9.537 -8.236 0.396 1.00 72.55 C ATOM 1276 CZ TYR A 80 -10.836 -8.377 -0.046 1.00 33.10 C ATOM 1277 OH TYR A 80 -11.128 -8.206 -1.379 1.00 71.15 O ATOM 0 H TYR A 80 -12.226 -8.086 4.435 1.00 23.14 H new ATOM 0 HA TYR A 80 -9.966 -7.896 6.009 1.00 42.54 H new ATOM 0 HB2 TYR A 80 -8.868 -9.158 4.219 1.00 4.52 H new ATOM 0 HB3 TYR A 80 -10.488 -9.766 4.494 1.00 4.52 H new ATOM 0 HD1 TYR A 80 -12.337 -9.108 2.874 1.00 0.40 H new ATOM 0 HD2 TYR A 80 -8.231 -8.297 2.077 1.00 64.51 H new ATOM 0 HE1 TYR A 80 -12.860 -8.800 0.493 1.00 35.22 H new ATOM 0 HE2 TYR A 80 -8.750 -7.992 -0.302 1.00 72.55 H new ATOM 0 HH TYR A 80 -10.307 -7.988 -1.868 1.00 71.15 H new ATOM 1287 N GLN A 81 -9.978 -5.752 3.536 1.00 64.50 N ATOM 1288 CA GLN A 81 -9.303 -4.582 2.987 1.00 54.32 C ATOM 1289 C GLN A 81 -9.085 -3.525 4.064 1.00 52.21 C ATOM 1290 O GLN A 81 -7.948 -3.198 4.406 1.00 52.24 O ATOM 1291 CB GLN A 81 -10.116 -3.992 1.834 1.00 73.33 C ATOM 1292 CG GLN A 81 -10.316 -4.956 0.675 1.00 32.22 C ATOM 1293 CD GLN A 81 -10.354 -4.253 -0.668 1.00 73.11 C ATOM 1294 OE1 GLN A 81 -10.668 -3.066 -0.753 1.00 34.34 O ATOM 1295 NE2 GLN A 81 -10.032 -4.986 -1.729 1.00 2.53 N ATOM 0 H GLN A 81 -10.893 -5.942 3.127 1.00 64.50 H new ATOM 0 HA GLN A 81 -8.330 -4.898 2.611 1.00 54.32 H new ATOM 0 HB2 GLN A 81 -11.091 -3.681 2.210 1.00 73.33 H new ATOM 0 HB3 GLN A 81 -9.615 -3.096 1.468 1.00 73.33 H new ATOM 0 HG2 GLN A 81 -9.510 -5.690 0.674 1.00 32.22 H new ATOM 0 HG3 GLN A 81 -11.246 -5.505 0.820 1.00 32.22 H new ATOM 0 HE21 GLN A 81 -9.778 -5.967 -1.613 1.00 2.53 H new ATOM 0 HE22 GLN A 81 -10.039 -4.568 -2.659 1.00 2.53 H new ATOM 1304 N SER A 82 -10.181 -2.992 4.595 1.00 54.31 N ATOM 1305 CA SER A 82 -10.110 -1.968 5.630 1.00 42.22 C ATOM 1306 C SER A 82 -9.191 -2.407 6.766 1.00 31.41 C ATOM 1307 O SER A 82 -8.492 -1.591 7.367 1.00 65.24 O ATOM 1308 CB SER A 82 -11.506 -1.665 6.176 1.00 70.51 C ATOM 1309 OG SER A 82 -11.443 -1.212 7.516 1.00 12.24 O ATOM 0 H SER A 82 -11.129 -3.253 4.325 1.00 54.31 H new ATOM 0 HA SER A 82 -9.700 -1.063 5.183 1.00 42.22 H new ATOM 0 HB2 SER A 82 -11.986 -0.908 5.555 1.00 70.51 H new ATOM 0 HB3 SER A 82 -12.124 -2.561 6.121 1.00 70.51 H new ATOM 0 HG SER A 82 -12.348 -1.024 7.841 1.00 12.24 H new ATOM 1315 N LYS A 83 -9.199 -3.705 7.057 1.00 13.42 N ATOM 1316 CA LYS A 83 -8.368 -4.255 8.120 1.00 45.04 C ATOM 1317 C LYS A 83 -6.887 -4.134 7.771 1.00 2.22 C ATOM 1318 O LYS A 83 -6.098 -3.596 8.549 1.00 70.54 O ATOM 1319 CB LYS A 83 -8.725 -5.723 8.366 1.00 41.11 C ATOM 1320 CG LYS A 83 -9.938 -5.912 9.261 1.00 43.45 C ATOM 1321 CD LYS A 83 -10.104 -7.365 9.674 1.00 12.21 C ATOM 1322 CE LYS A 83 -9.097 -7.759 10.742 1.00 20.03 C ATOM 1323 NZ LYS A 83 -9.441 -7.181 12.071 1.00 40.35 N ATOM 0 H LYS A 83 -9.772 -4.394 6.571 1.00 13.42 H new ATOM 0 HA LYS A 83 -8.558 -3.683 9.028 1.00 45.04 H new ATOM 0 HB2 LYS A 83 -8.912 -6.208 7.408 1.00 41.11 H new ATOM 0 HB3 LYS A 83 -7.869 -6.226 8.817 1.00 41.11 H new ATOM 0 HG2 LYS A 83 -9.836 -5.289 10.150 1.00 43.45 H new ATOM 0 HG3 LYS A 83 -10.833 -5.577 8.738 1.00 43.45 H new ATOM 0 HD2 LYS A 83 -11.115 -7.525 10.049 1.00 12.21 H new ATOM 0 HD3 LYS A 83 -9.982 -8.008 8.803 1.00 12.21 H new ATOM 0 HE2 LYS A 83 -9.056 -8.846 10.819 1.00 20.03 H new ATOM 0 HE3 LYS A 83 -8.104 -7.422 10.446 1.00 20.03 H new ATOM 0 HZ1 LYS A 83 -8.846 -7.617 12.804 1.00 40.35 H new ATOM 0 HZ2 LYS A 83 -9.275 -6.154 12.056 1.00 40.35 H new ATOM 0 HZ3 LYS A 83 -10.442 -7.367 12.282 1.00 40.35 H new ATOM 1337 N LYS A 84 -6.517 -4.633 6.597 1.00 61.42 N ATOM 1338 CA LYS A 84 -5.133 -4.579 6.144 1.00 54.32 C ATOM 1339 C LYS A 84 -4.648 -3.135 6.049 1.00 33.23 C ATOM 1340 O LYS A 84 -3.444 -2.873 6.036 1.00 33.53 O ATOM 1341 CB LYS A 84 -4.993 -5.264 4.783 1.00 73.14 C ATOM 1342 CG LYS A 84 -5.153 -4.318 3.605 1.00 60.44 C ATOM 1343 CD LYS A 84 -3.809 -3.800 3.119 1.00 20.30 C ATOM 1344 CE LYS A 84 -3.951 -2.462 2.410 1.00 44.31 C ATOM 1345 NZ LYS A 84 -3.078 -2.377 1.206 1.00 24.44 N ATOM 0 H LYS A 84 -7.158 -5.080 5.941 1.00 61.42 H new ATOM 0 HA LYS A 84 -4.517 -5.105 6.874 1.00 54.32 H new ATOM 0 HB2 LYS A 84 -4.014 -5.741 4.725 1.00 73.14 H new ATOM 0 HB3 LYS A 84 -5.738 -6.056 4.706 1.00 73.14 H new ATOM 0 HG2 LYS A 84 -5.662 -4.833 2.790 1.00 60.44 H new ATOM 0 HG3 LYS A 84 -5.784 -3.478 3.895 1.00 60.44 H new ATOM 0 HD2 LYS A 84 -3.131 -3.694 3.966 1.00 20.30 H new ATOM 0 HD3 LYS A 84 -3.361 -4.527 2.441 1.00 20.30 H new ATOM 0 HE2 LYS A 84 -4.990 -2.315 2.116 1.00 44.31 H new ATOM 0 HE3 LYS A 84 -3.698 -1.657 3.100 1.00 44.31 H new ATOM 0 HZ1 LYS A 84 -3.450 -1.654 0.557 1.00 24.44 H new ATOM 0 HZ2 LYS A 84 -2.113 -2.119 1.495 1.00 24.44 H new ATOM 0 HZ3 LYS A 84 -3.060 -3.299 0.724 1.00 24.44 H new ATOM 1359 N LEU A 85 -5.591 -2.202 5.985 1.00 73.32 N ATOM 1360 CA LEU A 85 -5.261 -0.784 5.893 1.00 12.03 C ATOM 1361 C LEU A 85 -4.605 -0.294 7.180 1.00 65.13 C ATOM 1362 O LEU A 85 -3.699 0.540 7.151 1.00 72.44 O ATOM 1363 CB LEU A 85 -6.520 0.036 5.604 1.00 24.54 C ATOM 1364 CG LEU A 85 -6.292 1.450 5.070 1.00 43.52 C ATOM 1365 CD1 LEU A 85 -5.991 1.413 3.579 1.00 14.24 C ATOM 1366 CD2 LEU A 85 -7.501 2.329 5.350 1.00 22.24 C ATOM 0 H LEU A 85 -6.591 -2.402 5.995 1.00 73.32 H new ATOM 0 HA LEU A 85 -4.554 -0.653 5.073 1.00 12.03 H new ATOM 0 HB2 LEU A 85 -7.127 -0.510 4.882 1.00 24.54 H new ATOM 0 HB3 LEU A 85 -7.103 0.106 6.522 1.00 24.54 H new ATOM 0 HG LEU A 85 -5.432 1.878 5.585 1.00 43.52 H new ATOM 0 HD11 LEU A 85 -5.831 2.428 3.215 1.00 14.24 H new ATOM 0 HD12 LEU A 85 -5.094 0.819 3.404 1.00 14.24 H new ATOM 0 HD13 LEU A 85 -6.832 0.965 3.049 1.00 14.24 H new ATOM 0 HD21 LEU A 85 -7.320 3.331 4.962 1.00 22.24 H new ATOM 0 HD22 LEU A 85 -8.379 1.905 4.863 1.00 22.24 H new ATOM 0 HD23 LEU A 85 -7.672 2.381 6.425 1.00 22.24 H new ATOM 1378 N LYS A 86 -5.066 -0.820 8.310 1.00 11.12 N ATOM 1379 CA LYS A 86 -4.522 -0.439 9.609 1.00 62.40 C ATOM 1380 C LYS A 86 -3.118 -1.004 9.797 1.00 24.43 C ATOM 1381 O LYS A 86 -2.428 -0.666 10.758 1.00 31.42 O ATOM 1382 CB LYS A 86 -5.438 -0.932 10.732 1.00 24.43 C ATOM 1383 CG LYS A 86 -5.282 -2.412 11.037 1.00 11.15 C ATOM 1384 CD LYS A 86 -4.558 -2.636 12.354 1.00 33.33 C ATOM 1385 CE LYS A 86 -3.131 -3.110 12.132 1.00 60.22 C ATOM 1386 NZ LYS A 86 -2.813 -4.318 12.944 1.00 33.13 N ATOM 0 H LYS A 86 -5.815 -1.511 8.353 1.00 11.12 H new ATOM 0 HA LYS A 86 -4.464 0.649 9.647 1.00 62.40 H new ATOM 0 HB2 LYS A 86 -5.231 -0.359 11.636 1.00 24.43 H new ATOM 0 HB3 LYS A 86 -6.474 -0.733 10.458 1.00 24.43 H new ATOM 0 HG2 LYS A 86 -6.265 -2.882 11.076 1.00 11.15 H new ATOM 0 HG3 LYS A 86 -4.730 -2.895 10.230 1.00 11.15 H new ATOM 0 HD2 LYS A 86 -4.549 -1.709 12.928 1.00 33.33 H new ATOM 0 HD3 LYS A 86 -5.099 -3.373 12.947 1.00 33.33 H new ATOM 0 HE2 LYS A 86 -2.983 -3.334 11.076 1.00 60.22 H new ATOM 0 HE3 LYS A 86 -2.438 -2.308 12.388 1.00 60.22 H new ATOM 0 HZ1 LYS A 86 -1.831 -4.609 12.764 1.00 33.13 H new ATOM 0 HZ2 LYS A 86 -2.929 -4.098 13.954 1.00 33.13 H new ATOM 0 HZ3 LYS A 86 -3.457 -5.092 12.682 1.00 33.13 H new ATOM 1400 N GLU A 87 -2.703 -1.866 8.874 1.00 11.41 N ATOM 1401 CA GLU A 87 -1.380 -2.476 8.940 1.00 25.40 C ATOM 1402 C GLU A 87 -0.288 -1.410 8.946 1.00 21.51 C ATOM 1403 O GLU A 87 0.275 -1.087 9.993 1.00 33.32 O ATOM 1404 CB GLU A 87 -1.173 -3.427 7.759 1.00 75.22 C ATOM 1405 CG GLU A 87 -2.065 -4.656 7.805 1.00 75.34 C ATOM 1406 CD GLU A 87 -1.393 -5.841 8.471 1.00 33.30 C ATOM 1407 OE1 GLU A 87 -1.353 -5.876 9.719 1.00 32.21 O ATOM 1408 OE2 GLU A 87 -0.909 -6.733 7.744 1.00 44.11 O ATOM 0 H GLU A 87 -3.263 -2.157 8.073 1.00 11.41 H new ATOM 0 HA GLU A 87 -1.316 -3.042 9.869 1.00 25.40 H new ATOM 0 HB2 GLU A 87 -1.360 -2.887 6.831 1.00 75.22 H new ATOM 0 HB3 GLU A 87 -0.131 -3.745 7.738 1.00 75.22 H new ATOM 0 HG2 GLU A 87 -2.982 -4.414 8.342 1.00 75.34 H new ATOM 0 HG3 GLU A 87 -2.353 -4.930 6.790 1.00 75.34 H new ATOM 1415 N LEU A 88 0.008 -0.869 7.770 1.00 14.20 N ATOM 1416 CA LEU A 88 1.033 0.161 7.637 1.00 34.42 C ATOM 1417 C LEU A 88 0.634 1.426 8.391 1.00 41.44 C ATOM 1418 O LEU A 88 1.434 2.351 8.542 1.00 61.24 O ATOM 1419 CB LEU A 88 1.270 0.485 6.162 1.00 72.21 C ATOM 1420 CG LEU A 88 0.022 0.567 5.283 1.00 14.34 C ATOM 1421 CD1 LEU A 88 -0.382 -0.816 4.798 1.00 21.33 C ATOM 1422 CD2 LEU A 88 -1.122 1.223 6.042 1.00 32.44 C ATOM 0 H LEU A 88 -0.447 -1.126 6.894 1.00 14.20 H new ATOM 0 HA LEU A 88 1.957 -0.222 8.071 1.00 34.42 H new ATOM 0 HB2 LEU A 88 1.796 1.437 6.100 1.00 72.21 H new ATOM 0 HB3 LEU A 88 1.933 -0.273 5.746 1.00 72.21 H new ATOM 0 HG LEU A 88 0.254 1.181 4.413 1.00 14.34 H new ATOM 0 HD11 LEU A 88 -1.272 -0.737 4.174 1.00 21.33 H new ATOM 0 HD12 LEU A 88 0.432 -1.250 4.216 1.00 21.33 H new ATOM 0 HD13 LEU A 88 -0.595 -1.454 5.655 1.00 21.33 H new ATOM 0 HD21 LEU A 88 -2.002 1.273 5.401 1.00 32.44 H new ATOM 0 HD22 LEU A 88 -1.353 0.636 6.931 1.00 32.44 H new ATOM 0 HD23 LEU A 88 -0.831 2.231 6.339 1.00 32.44 H new ATOM 1434 N THR A 89 -0.608 1.461 8.863 1.00 0.00 N ATOM 1435 CA THR A 89 -1.113 2.612 9.602 1.00 64.12 C ATOM 1436 C THR A 89 -0.395 2.765 10.938 1.00 54.11 C ATOM 1437 O THR A 89 0.138 3.831 11.247 1.00 30.41 O ATOM 1438 CB THR A 89 -2.628 2.496 9.855 1.00 61.23 C ATOM 1439 OG1 THR A 89 -3.341 2.601 8.618 1.00 14.34 O ATOM 1440 CG2 THR A 89 -3.100 3.578 10.814 1.00 30.44 C ATOM 0 H THR A 89 -1.283 0.705 8.747 1.00 0.00 H new ATOM 0 HA THR A 89 -0.922 3.492 8.988 1.00 64.12 H new ATOM 0 HB THR A 89 -2.826 1.523 10.305 1.00 61.23 H new ATOM 0 HG1 THR A 89 -3.083 1.863 8.028 1.00 14.34 H new ATOM 0 HG21 THR A 89 -4.173 3.476 10.978 1.00 30.44 H new ATOM 0 HG22 THR A 89 -2.577 3.475 11.765 1.00 30.44 H new ATOM 0 HG23 THR A 89 -2.889 4.559 10.388 1.00 30.44 H new ATOM 1448 N SER A 90 -0.386 1.695 11.726 1.00 14.32 N ATOM 1449 CA SER A 90 0.263 1.713 13.031 1.00 22.43 C ATOM 1450 C SER A 90 1.780 1.637 12.884 1.00 22.01 C ATOM 1451 O SER A 90 2.522 2.130 13.735 1.00 62.54 O ATOM 1452 CB SER A 90 -0.236 0.549 13.888 1.00 20.34 C ATOM 1453 OG SER A 90 0.257 0.643 15.214 1.00 2.14 O ATOM 0 H SER A 90 -0.821 0.805 11.483 1.00 14.32 H new ATOM 0 HA SER A 90 0.009 2.652 13.523 1.00 22.43 H new ATOM 0 HB2 SER A 90 -1.326 0.544 13.901 1.00 20.34 H new ATOM 0 HB3 SER A 90 0.081 -0.395 13.445 1.00 20.34 H new ATOM 0 HG SER A 90 -0.078 -0.112 15.742 1.00 2.14 H new ATOM 1459 N ILE A 91 2.232 1.016 11.800 1.00 0.44 N ATOM 1460 CA ILE A 91 3.660 0.877 11.541 1.00 52.14 C ATOM 1461 C ILE A 91 4.283 2.216 11.159 1.00 75.13 C ATOM 1462 O ILE A 91 5.373 2.557 11.617 1.00 0.44 O ATOM 1463 CB ILE A 91 3.931 -0.140 10.417 1.00 61.42 C ATOM 1464 CG1 ILE A 91 3.344 -1.505 10.782 1.00 34.44 C ATOM 1465 CG2 ILE A 91 5.425 -0.255 10.154 1.00 40.40 C ATOM 1466 CD1 ILE A 91 3.184 -2.432 9.598 1.00 13.02 C ATOM 0 H ILE A 91 1.631 0.602 11.088 1.00 0.44 H new ATOM 0 HA ILE A 91 4.114 0.517 12.464 1.00 52.14 H new ATOM 0 HB ILE A 91 3.447 0.212 9.506 1.00 61.42 H new ATOM 0 HG12 ILE A 91 3.987 -1.982 11.522 1.00 34.44 H new ATOM 0 HG13 ILE A 91 2.372 -1.359 11.252 1.00 34.44 H new ATOM 0 HG21 ILE A 91 5.600 -0.978 9.357 1.00 40.40 H new ATOM 0 HG22 ILE A 91 5.818 0.717 9.855 1.00 40.40 H new ATOM 0 HG23 ILE A 91 5.930 -0.587 11.061 1.00 40.40 H new ATOM 0 HD11 ILE A 91 2.763 -3.380 9.932 1.00 13.02 H new ATOM 0 HD12 ILE A 91 2.516 -1.976 8.867 1.00 13.02 H new ATOM 0 HD13 ILE A 91 4.157 -2.609 9.140 1.00 13.02 H new ATOM 1478 N SER A 92 3.582 2.971 10.319 1.00 10.02 N ATOM 1479 CA SER A 92 4.067 4.272 9.875 1.00 71.21 C ATOM 1480 C SER A 92 4.004 5.291 11.008 1.00 42.42 C ATOM 1481 O SER A 92 3.122 5.232 11.863 1.00 73.41 O ATOM 1482 CB SER A 92 3.245 4.766 8.683 1.00 74.40 C ATOM 1483 OG SER A 92 3.703 4.189 7.472 1.00 32.25 O ATOM 0 H SER A 92 2.677 2.704 9.933 1.00 10.02 H new ATOM 0 HA SER A 92 5.107 4.160 9.569 1.00 71.21 H new ATOM 0 HB2 SER A 92 2.195 4.517 8.834 1.00 74.40 H new ATOM 0 HB3 SER A 92 3.309 5.852 8.619 1.00 74.40 H new ATOM 0 HG SER A 92 3.218 3.354 7.303 1.00 32.25 H new