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 80 TYR OH : rot 30:sc= 0.199 USER MOD Set 1.2: A 81 GLN : amide:sc= -0.688 K(o=-0.49,f=-3.4!) USER MOD Single : A 14 SER OG : rot -10:sc= -2.35! USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.4) USER MOD Single : A 19 ASN : amide:sc=-0.00287 X(o=-0.0029,f=-0.29) USER MOD Single : A 22 THR OG1 : rot 72:sc= 0.317 USER MOD Single : A 36 SER OG : rot 26:sc= 0.158 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.7) USER MOD Single : A 44 TYR OH : rot 164:sc= 0.126 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= 0.79 (180deg=0.549) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= -0.0822 (180deg=-1.29) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.275 USER MOD Single : A 60 SER OG : rot 180:sc= -0.278 USER MOD Single : A 62 MET CE :methyl 158:sc= -0.0821 (180deg=-0.516) USER MOD Single : A 63 ASN : amide:sc= -0.0945 K(o=-0.094,f=-3.9!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.205 USER MOD Single : A 68 LYS NZ :NH3+ -155:sc= -0.0598 (180deg=-0.344) USER MOD Single : A 72 ASN : amide:sc= -0.0844 X(o=-0.084,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= -0.758 (180deg=-1.54!) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0364) USER MOD Single : A 89 THR OG1 : rot 61:sc= 1.17 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 10.784 -5.475 8.357 1.00 43.13 N ATOM 195 CA ARG A 13 9.637 -4.626 8.653 1.00 23.14 C ATOM 196 C ARG A 13 9.305 -3.725 7.467 1.00 63.45 C ATOM 197 O ARG A 13 8.154 -3.338 7.272 1.00 3.33 O ATOM 198 CB ARG A 13 9.915 -3.772 9.893 1.00 62.52 C ATOM 199 CG ARG A 13 10.222 -4.588 11.137 1.00 33.34 C ATOM 200 CD ARG A 13 8.958 -5.180 11.741 1.00 13.03 C ATOM 201 NE ARG A 13 8.105 -4.156 12.340 1.00 61.42 N ATOM 202 CZ ARG A 13 8.376 -3.559 13.496 1.00 70.21 C ATOM 203 NH1 ARG A 13 9.470 -3.882 14.173 1.00 55.44 N ATOM 204 NH2 ARG A 13 7.552 -2.636 13.976 1.00 72.24 N ATOM 0 HA ARG A 13 8.780 -5.271 8.847 1.00 23.14 H new ATOM 0 HB2 ARG A 13 10.756 -3.110 9.687 1.00 62.52 H new ATOM 0 HB3 ARG A 13 9.050 -3.138 10.089 1.00 62.52 H new ATOM 0 HG2 ARG A 13 10.916 -5.390 10.885 1.00 33.34 H new ATOM 0 HG3 ARG A 13 10.718 -3.957 11.874 1.00 33.34 H new ATOM 0 HD2 ARG A 13 8.401 -5.709 10.968 1.00 13.03 H new ATOM 0 HD3 ARG A 13 9.228 -5.915 12.499 1.00 13.03 H new ATOM 0 HE ARG A 13 7.256 -3.885 11.844 1.00 61.42 H new ATOM 0 HH11 ARG A 13 10.106 -4.590 13.807 1.00 55.44 H new ATOM 0 HH12 ARG A 13 9.675 -3.422 15.060 1.00 55.44 H new ATOM 0 HH21 ARG A 13 6.710 -2.385 13.458 1.00 72.24 H new ATOM 0 HH22 ARG A 13 7.760 -2.178 14.863 1.00 72.24 H new ATOM 218 N SER A 14 10.323 -3.398 6.677 1.00 44.31 N ATOM 219 CA SER A 14 10.141 -2.539 5.512 1.00 61.24 C ATOM 220 C SER A 14 9.440 -3.294 4.387 1.00 40.02 C ATOM 221 O SER A 14 8.576 -2.747 3.702 1.00 43.25 O ATOM 222 CB SER A 14 11.492 -2.012 5.024 1.00 32.13 C ATOM 223 OG SER A 14 11.937 -0.933 5.827 1.00 42.55 O ATOM 0 H SER A 14 11.282 -3.715 6.822 1.00 44.31 H new ATOM 0 HA SER A 14 9.516 -1.696 5.806 1.00 61.24 H new ATOM 0 HB2 SER A 14 12.229 -2.815 5.047 1.00 32.13 H new ATOM 0 HB3 SER A 14 11.406 -1.687 3.987 1.00 32.13 H new ATOM 0 HG SER A 14 11.213 -0.649 6.423 1.00 42.55 H new ATOM 229 N ASN A 15 9.818 -4.555 4.203 1.00 54.25 N ATOM 230 CA ASN A 15 9.227 -5.385 3.160 1.00 74.44 C ATOM 231 C ASN A 15 7.828 -5.844 3.558 1.00 71.41 C ATOM 232 O ASN A 15 7.075 -6.361 2.731 1.00 23.34 O ATOM 233 CB ASN A 15 10.114 -6.600 2.882 1.00 62.12 C ATOM 234 CG ASN A 15 10.931 -6.442 1.613 1.00 5.12 C ATOM 235 OD1 ASN A 15 10.842 -7.260 0.698 1.00 72.31 O ATOM 236 ND2 ASN A 15 11.733 -5.385 1.555 1.00 13.10 N ATOM 0 H ASN A 15 10.530 -5.024 4.762 1.00 54.25 H new ATOM 0 HA ASN A 15 9.150 -4.785 2.253 1.00 74.44 H new ATOM 0 HB2 ASN A 15 10.786 -6.757 3.726 1.00 62.12 H new ATOM 0 HB3 ASN A 15 9.491 -7.491 2.801 1.00 62.12 H new ATOM 0 HD21 ASN A 15 12.308 -5.226 0.727 1.00 13.10 H new ATOM 0 HD22 ASN A 15 11.774 -4.733 2.338 1.00 13.10 H new ATOM 243 N GLN A 16 7.487 -5.652 4.828 1.00 53.20 N ATOM 244 CA GLN A 16 6.178 -6.046 5.336 1.00 72.03 C ATOM 245 C GLN A 16 5.063 -5.340 4.572 1.00 53.33 C ATOM 246 O GLN A 16 4.221 -5.984 3.946 1.00 61.04 O ATOM 247 CB GLN A 16 6.069 -5.730 6.828 1.00 3.30 C ATOM 248 CG GLN A 16 5.047 -6.585 7.558 1.00 24.23 C ATOM 249 CD GLN A 16 4.774 -6.093 8.966 1.00 32.31 C ATOM 250 OE1 GLN A 16 5.610 -5.428 9.577 1.00 23.42 O ATOM 251 NE2 GLN A 16 3.596 -6.418 9.488 1.00 1.32 N ATOM 0 H GLN A 16 8.099 -5.226 5.524 1.00 53.20 H new ATOM 0 HA GLN A 16 6.069 -7.121 5.191 1.00 72.03 H new ATOM 0 HB2 GLN A 16 7.045 -5.869 7.293 1.00 3.30 H new ATOM 0 HB3 GLN A 16 5.805 -4.680 6.950 1.00 3.30 H new ATOM 0 HG2 GLN A 16 4.115 -6.593 6.993 1.00 24.23 H new ATOM 0 HG3 GLN A 16 5.403 -7.614 7.599 1.00 24.23 H new ATOM 0 HE21 GLN A 16 2.933 -6.971 8.945 1.00 1.32 H new ATOM 0 HE22 GLN A 16 3.355 -6.114 10.431 1.00 1.32 H new ATOM 260 N ALA A 17 5.062 -4.012 4.628 1.00 3.32 N ATOM 261 CA ALA A 17 4.051 -3.219 3.941 1.00 1.43 C ATOM 262 C ALA A 17 3.942 -3.620 2.474 1.00 12.03 C ATOM 263 O ALA A 17 2.844 -3.807 1.952 1.00 12.13 O ATOM 264 CB ALA A 17 4.371 -1.736 4.062 1.00 31.01 C ATOM 0 H ALA A 17 5.751 -3.463 5.142 1.00 3.32 H new ATOM 0 HA ALA A 17 3.089 -3.412 4.416 1.00 1.43 H new ATOM 0 HB1 ALA A 17 3.607 -1.156 3.544 1.00 31.01 H new ATOM 0 HB2 ALA A 17 4.391 -1.453 5.114 1.00 31.01 H new ATOM 0 HB3 ALA A 17 5.344 -1.536 3.614 1.00 31.01 H new ATOM 270 N GLU A 18 5.089 -3.749 1.813 1.00 30.15 N ATOM 271 CA GLU A 18 5.120 -4.127 0.406 1.00 51.45 C ATOM 272 C GLU A 18 4.312 -5.398 0.165 1.00 74.51 C ATOM 273 O GLU A 18 3.469 -5.451 -0.729 1.00 13.22 O ATOM 274 CB GLU A 18 6.564 -4.332 -0.058 1.00 44.14 C ATOM 275 CG GLU A 18 7.183 -3.095 -0.687 1.00 21.42 C ATOM 276 CD GLU A 18 8.401 -3.417 -1.530 1.00 42.22 C ATOM 277 OE1 GLU A 18 8.398 -4.473 -2.198 1.00 1.30 O ATOM 278 OE2 GLU A 18 9.359 -2.615 -1.521 1.00 34.10 O ATOM 0 H GLU A 18 6.008 -3.597 2.230 1.00 30.15 H new ATOM 0 HA GLU A 18 4.671 -3.318 -0.170 1.00 51.45 H new ATOM 0 HB2 GLU A 18 7.171 -4.638 0.794 1.00 44.14 H new ATOM 0 HB3 GLU A 18 6.592 -5.149 -0.779 1.00 44.14 H new ATOM 0 HG2 GLU A 18 6.438 -2.596 -1.307 1.00 21.42 H new ATOM 0 HG3 GLU A 18 7.465 -2.394 0.099 1.00 21.42 H new ATOM 285 N ASN A 19 4.576 -6.422 0.971 1.00 42.12 N ATOM 286 CA ASN A 19 3.875 -7.694 0.845 1.00 74.22 C ATOM 287 C ASN A 19 2.377 -7.515 1.073 1.00 30.20 C ATOM 288 O ASN A 19 1.557 -8.110 0.374 1.00 14.01 O ATOM 289 CB ASN A 19 4.436 -8.710 1.842 1.00 32.14 C ATOM 290 CG ASN A 19 3.504 -9.888 2.055 1.00 51.24 C ATOM 291 OD1 ASN A 19 2.976 -10.457 1.098 1.00 2.44 O ATOM 292 ND2 ASN A 19 3.297 -10.260 3.313 1.00 54.44 N ATOM 0 H ASN A 19 5.270 -6.395 1.718 1.00 42.12 H new ATOM 0 HA ASN A 19 4.028 -8.066 -0.168 1.00 74.22 H new ATOM 0 HB2 ASN A 19 5.399 -9.073 1.483 1.00 32.14 H new ATOM 0 HB3 ASN A 19 4.617 -8.216 2.797 1.00 32.14 H new ATOM 0 HD21 ASN A 19 2.680 -11.046 3.517 1.00 54.44 H new ATOM 0 HD22 ASN A 19 3.755 -9.760 4.075 1.00 54.44 H new ATOM 299 N ILE A 20 2.029 -6.690 2.055 1.00 35.53 N ATOM 300 CA ILE A 20 0.631 -6.431 2.374 1.00 10.13 C ATOM 301 C ILE A 20 -0.106 -5.840 1.177 1.00 62.31 C ATOM 302 O ILE A 20 -1.133 -6.365 0.746 1.00 23.45 O ATOM 303 CB ILE A 20 0.495 -5.470 3.571 1.00 74.41 C ATOM 304 CG1 ILE A 20 1.161 -6.069 4.811 1.00 11.00 C ATOM 305 CG2 ILE A 20 -0.971 -5.169 3.844 1.00 42.33 C ATOM 306 CD1 ILE A 20 1.510 -5.041 5.865 1.00 63.25 C ATOM 0 H ILE A 20 2.696 -6.190 2.643 1.00 35.53 H new ATOM 0 HA ILE A 20 0.185 -7.390 2.635 1.00 10.13 H new ATOM 0 HB ILE A 20 0.999 -4.535 3.327 1.00 74.41 H new ATOM 0 HG12 ILE A 20 0.495 -6.813 5.247 1.00 11.00 H new ATOM 0 HG13 ILE A 20 2.069 -6.591 4.509 1.00 11.00 H new ATOM 0 HG21 ILE A 20 -1.051 -4.489 4.692 1.00 42.33 H new ATOM 0 HG22 ILE A 20 -1.417 -4.706 2.964 1.00 42.33 H new ATOM 0 HG23 ILE A 20 -1.497 -6.096 4.072 1.00 42.33 H new ATOM 0 HD11 ILE A 20 1.979 -5.536 6.715 1.00 63.25 H new ATOM 0 HD12 ILE A 20 2.201 -4.310 5.445 1.00 63.25 H new ATOM 0 HD13 ILE A 20 0.602 -4.535 6.195 1.00 63.25 H new ATOM 318 N ILE A 21 0.426 -4.746 0.642 1.00 64.43 N ATOM 319 CA ILE A 21 -0.178 -4.085 -0.508 1.00 35.51 C ATOM 320 C ILE A 21 -0.461 -5.081 -1.628 1.00 23.54 C ATOM 321 O ILE A 21 -1.528 -5.057 -2.243 1.00 25.20 O ATOM 322 CB ILE A 21 0.723 -2.962 -1.050 1.00 50.50 C ATOM 323 CG1 ILE A 21 0.993 -1.922 0.040 1.00 71.50 C ATOM 324 CG2 ILE A 21 0.082 -2.308 -2.265 1.00 42.52 C ATOM 325 CD1 ILE A 21 2.071 -0.927 -0.327 1.00 14.24 C ATOM 0 H ILE A 21 1.275 -4.298 0.987 1.00 64.43 H new ATOM 0 HA ILE A 21 -1.117 -3.651 -0.165 1.00 35.51 H new ATOM 0 HB ILE A 21 1.675 -3.397 -1.355 1.00 50.50 H new ATOM 0 HG12 ILE A 21 0.070 -1.383 0.253 1.00 71.50 H new ATOM 0 HG13 ILE A 21 1.281 -2.436 0.957 1.00 71.50 H new ATOM 0 HG21 ILE A 21 0.732 -1.516 -2.637 1.00 42.52 H new ATOM 0 HG22 ILE A 21 -0.063 -3.055 -3.046 1.00 42.52 H new ATOM 0 HG23 ILE A 21 -0.882 -1.885 -1.984 1.00 42.52 H new ATOM 0 HD11 ILE A 21 2.208 -0.221 0.492 1.00 14.24 H new ATOM 0 HD12 ILE A 21 3.006 -1.455 -0.511 1.00 14.24 H new ATOM 0 HD13 ILE A 21 1.776 -0.386 -1.226 1.00 14.24 H new ATOM 337 N THR A 22 0.503 -5.960 -1.888 1.00 64.03 N ATOM 338 CA THR A 22 0.359 -6.965 -2.933 1.00 44.34 C ATOM 339 C THR A 22 -0.870 -7.833 -2.695 1.00 72.03 C ATOM 340 O THR A 22 -1.496 -8.315 -3.641 1.00 42.45 O ATOM 341 CB THR A 22 1.604 -7.868 -3.019 1.00 20.24 C ATOM 342 OG1 THR A 22 2.773 -7.073 -3.237 1.00 2.44 O ATOM 343 CG2 THR A 22 1.459 -8.884 -4.142 1.00 35.30 C ATOM 0 H THR A 22 1.392 -5.995 -1.389 1.00 64.03 H new ATOM 0 HA THR A 22 0.244 -6.428 -3.875 1.00 44.34 H new ATOM 0 HB THR A 22 1.702 -8.404 -2.075 1.00 20.24 H new ATOM 0 HG1 THR A 22 2.996 -6.587 -2.416 1.00 2.44 H new ATOM 0 HG21 THR A 22 2.350 -9.510 -4.183 1.00 35.30 H new ATOM 0 HG22 THR A 22 0.585 -9.508 -3.957 1.00 35.30 H new ATOM 0 HG23 THR A 22 1.338 -8.362 -5.091 1.00 35.30 H new ATOM 351 N ASP A 23 -1.213 -8.031 -1.427 1.00 1.51 N ATOM 352 CA ASP A 23 -2.370 -8.841 -1.065 1.00 23.05 C ATOM 353 C ASP A 23 -3.640 -8.293 -1.709 1.00 71.52 C ATOM 354 O ASP A 23 -4.213 -8.918 -2.603 1.00 53.32 O ATOM 355 CB ASP A 23 -2.533 -8.884 0.456 1.00 51.13 C ATOM 356 CG ASP A 23 -3.466 -9.991 0.906 1.00 30.21 C ATOM 357 OD1 ASP A 23 -3.006 -11.146 1.016 1.00 25.41 O ATOM 358 OD2 ASP A 23 -4.657 -9.702 1.148 1.00 41.13 O ATOM 0 H ASP A 23 -0.706 -7.641 -0.632 1.00 1.51 H new ATOM 0 HA ASP A 23 -2.204 -9.853 -1.434 1.00 23.05 H new ATOM 0 HB2 ASP A 23 -1.557 -9.025 0.920 1.00 51.13 H new ATOM 0 HB3 ASP A 23 -2.916 -7.925 0.805 1.00 51.13 H new ATOM 363 N LEU A 24 -4.074 -7.126 -1.250 1.00 15.40 N ATOM 364 CA LEU A 24 -5.278 -6.494 -1.781 1.00 42.14 C ATOM 365 C LEU A 24 -5.250 -6.466 -3.306 1.00 62.31 C ATOM 366 O LEU A 24 -6.276 -6.655 -3.960 1.00 54.01 O ATOM 367 CB LEU A 24 -5.414 -5.072 -1.237 1.00 5.34 C ATOM 368 CG LEU A 24 -5.742 -4.952 0.252 1.00 3.42 C ATOM 369 CD1 LEU A 24 -5.987 -3.499 0.629 1.00 33.44 C ATOM 370 CD2 LEU A 24 -6.949 -5.808 0.603 1.00 12.12 C ATOM 0 H LEU A 24 -3.611 -6.597 -0.511 1.00 15.40 H new ATOM 0 HA LEU A 24 -6.138 -7.082 -1.462 1.00 42.14 H new ATOM 0 HB2 LEU A 24 -4.481 -4.541 -1.427 1.00 5.34 H new ATOM 0 HB3 LEU A 24 -6.193 -4.561 -1.803 1.00 5.34 H new ATOM 0 HG LEU A 24 -4.887 -5.314 0.823 1.00 3.42 H new ATOM 0 HD11 LEU A 24 -6.219 -3.433 1.692 1.00 33.44 H new ATOM 0 HD12 LEU A 24 -5.094 -2.912 0.415 1.00 33.44 H new ATOM 0 HD13 LEU A 24 -6.824 -3.109 0.050 1.00 33.44 H new ATOM 0 HD21 LEU A 24 -7.168 -5.710 1.666 1.00 12.12 H new ATOM 0 HD22 LEU A 24 -7.811 -5.477 0.023 1.00 12.12 H new ATOM 0 HD23 LEU A 24 -6.735 -6.851 0.371 1.00 12.12 H new ATOM 382 N LEU A 25 -4.068 -6.232 -3.867 1.00 13.54 N ATOM 383 CA LEU A 25 -3.906 -6.181 -5.316 1.00 23.12 C ATOM 384 C LEU A 25 -4.411 -7.465 -5.966 1.00 21.04 C ATOM 385 O LEU A 25 -5.260 -7.430 -6.856 1.00 52.22 O ATOM 386 CB LEU A 25 -2.436 -5.958 -5.676 1.00 54.43 C ATOM 387 CG LEU A 25 -2.058 -4.538 -6.101 1.00 72.21 C ATOM 388 CD1 LEU A 25 -2.673 -4.203 -7.452 1.00 32.14 C ATOM 389 CD2 LEU A 25 -2.497 -3.531 -5.049 1.00 14.01 C ATOM 0 H LEU A 25 -3.209 -6.075 -3.341 1.00 13.54 H new ATOM 0 HA LEU A 25 -4.498 -5.347 -5.694 1.00 23.12 H new ATOM 0 HB2 LEU A 25 -1.826 -6.233 -4.816 1.00 54.43 H new ATOM 0 HB3 LEU A 25 -2.173 -6.640 -6.484 1.00 54.43 H new ATOM 0 HG LEU A 25 -0.973 -4.485 -6.195 1.00 72.21 H new ATOM 0 HD11 LEU A 25 -2.393 -3.189 -7.738 1.00 32.14 H new ATOM 0 HD12 LEU A 25 -2.308 -4.905 -8.202 1.00 32.14 H new ATOM 0 HD13 LEU A 25 -3.759 -4.275 -7.385 1.00 32.14 H new ATOM 0 HD21 LEU A 25 -2.220 -2.527 -5.369 1.00 14.01 H new ATOM 0 HD22 LEU A 25 -3.578 -3.586 -4.922 1.00 14.01 H new ATOM 0 HD23 LEU A 25 -2.008 -3.758 -4.102 1.00 14.01 H new ATOM 401 N ASP A 26 -3.885 -8.597 -5.512 1.00 32.42 N ATOM 402 CA ASP A 26 -4.284 -9.894 -6.047 1.00 33.22 C ATOM 403 C ASP A 26 -5.768 -10.150 -5.800 1.00 54.24 C ATOM 404 O ASP A 26 -6.465 -10.696 -6.656 1.00 3.42 O ATOM 405 CB ASP A 26 -3.450 -11.009 -5.415 1.00 71.32 C ATOM 406 CG ASP A 26 -3.406 -12.258 -6.274 1.00 33.10 C ATOM 407 OD1 ASP A 26 -2.551 -12.324 -7.182 1.00 45.12 O ATOM 408 OD2 ASP A 26 -4.227 -13.169 -6.040 1.00 23.14 O ATOM 0 H ASP A 26 -3.181 -8.643 -4.775 1.00 32.42 H new ATOM 0 HA ASP A 26 -4.109 -9.885 -7.123 1.00 33.22 H new ATOM 0 HB2 ASP A 26 -2.434 -10.650 -5.249 1.00 71.32 H new ATOM 0 HB3 ASP A 26 -3.863 -11.258 -4.438 1.00 71.32 H new ATOM 413 N ASP A 27 -6.244 -9.753 -4.625 1.00 51.42 N ATOM 414 CA ASP A 27 -7.645 -9.938 -4.266 1.00 21.11 C ATOM 415 C ASP A 27 -8.559 -9.211 -5.246 1.00 50.33 C ATOM 416 O ASP A 27 -9.435 -9.818 -5.864 1.00 44.21 O ATOM 417 CB ASP A 27 -7.900 -9.436 -2.843 1.00 62.24 C ATOM 418 CG ASP A 27 -9.043 -10.166 -2.167 1.00 72.44 C ATOM 419 OD1 ASP A 27 -10.192 -10.037 -2.641 1.00 30.02 O ATOM 420 OD2 ASP A 27 -8.790 -10.869 -1.166 1.00 41.31 O ATOM 0 H ASP A 27 -5.680 -9.301 -3.905 1.00 51.42 H new ATOM 0 HA ASP A 27 -7.868 -11.004 -4.313 1.00 21.11 H new ATOM 0 HB2 ASP A 27 -6.994 -9.558 -2.250 1.00 62.24 H new ATOM 0 HB3 ASP A 27 -8.121 -8.369 -2.872 1.00 62.24 H new ATOM 425 N LEU A 28 -8.351 -7.906 -5.384 1.00 44.03 N ATOM 426 CA LEU A 28 -9.157 -7.094 -6.289 1.00 54.04 C ATOM 427 C LEU A 28 -8.852 -7.435 -7.745 1.00 71.23 C ATOM 428 O LEU A 28 -9.634 -7.124 -8.644 1.00 23.41 O ATOM 429 CB LEU A 28 -8.901 -5.606 -6.039 1.00 24.52 C ATOM 430 CG LEU A 28 -7.658 -5.017 -6.708 1.00 23.25 C ATOM 431 CD1 LEU A 28 -8.013 -4.416 -8.057 1.00 73.15 C ATOM 432 CD2 LEU A 28 -7.014 -3.972 -5.808 1.00 71.41 C ATOM 0 H LEU A 28 -7.631 -7.388 -4.881 1.00 44.03 H new ATOM 0 HA LEU A 28 -10.207 -7.313 -6.095 1.00 54.04 H new ATOM 0 HB2 LEU A 28 -9.772 -5.046 -6.379 1.00 24.52 H new ATOM 0 HB3 LEU A 28 -8.820 -5.447 -4.964 1.00 24.52 H new ATOM 0 HG LEU A 28 -6.940 -5.821 -6.870 1.00 23.25 H new ATOM 0 HD11 LEU A 28 -7.116 -4.002 -8.518 1.00 73.15 H new ATOM 0 HD12 LEU A 28 -8.428 -5.190 -8.702 1.00 73.15 H new ATOM 0 HD13 LEU A 28 -8.749 -3.624 -7.920 1.00 73.15 H new ATOM 0 HD21 LEU A 28 -6.131 -3.563 -6.299 1.00 71.41 H new ATOM 0 HD22 LEU A 28 -7.726 -3.170 -5.615 1.00 71.41 H new ATOM 0 HD23 LEU A 28 -6.723 -4.434 -4.865 1.00 71.41 H new ATOM 552 N SER A 36 -8.868 1.639 -11.705 1.00 10.35 N ATOM 553 CA SER A 36 -7.856 2.680 -11.846 1.00 13.31 C ATOM 554 C SER A 36 -7.213 2.998 -10.500 1.00 72.10 C ATOM 555 O SER A 36 -6.096 3.514 -10.440 1.00 2.12 O ATOM 556 CB SER A 36 -8.477 3.946 -12.440 1.00 11.20 C ATOM 557 OG SER A 36 -9.178 3.657 -13.638 1.00 11.32 O ATOM 0 HA SER A 36 -7.082 2.312 -12.520 1.00 13.31 H new ATOM 0 HB2 SER A 36 -9.157 4.395 -11.716 1.00 11.20 H new ATOM 0 HB3 SER A 36 -7.695 4.679 -12.640 1.00 11.20 H new ATOM 0 HG SER A 36 -9.478 2.724 -13.625 1.00 11.32 H new ATOM 563 N LEU A 37 -7.925 2.688 -9.423 1.00 33.11 N ATOM 564 CA LEU A 37 -7.424 2.940 -8.076 1.00 34.12 C ATOM 565 C LEU A 37 -6.101 2.219 -7.843 1.00 53.11 C ATOM 566 O LEU A 37 -5.247 2.693 -7.094 1.00 23.31 O ATOM 567 CB LEU A 37 -8.453 2.491 -7.036 1.00 62.23 C ATOM 568 CG LEU A 37 -8.602 3.389 -5.809 1.00 20.04 C ATOM 569 CD1 LEU A 37 -7.279 3.507 -5.070 1.00 3.22 C ATOM 570 CD2 LEU A 37 -9.114 4.764 -6.213 1.00 63.10 C ATOM 0 H LEU A 37 -8.851 2.262 -9.456 1.00 33.11 H new ATOM 0 HA LEU A 37 -7.255 4.012 -7.972 1.00 34.12 H new ATOM 0 HB2 LEU A 37 -9.424 2.414 -7.525 1.00 62.23 H new ATOM 0 HB3 LEU A 37 -8.186 1.490 -6.698 1.00 62.23 H new ATOM 0 HG LEU A 37 -9.331 2.935 -5.137 1.00 20.04 H new ATOM 0 HD11 LEU A 37 -7.405 4.150 -4.199 1.00 3.22 H new ATOM 0 HD12 LEU A 37 -6.953 2.518 -4.747 1.00 3.22 H new ATOM 0 HD13 LEU A 37 -6.529 3.937 -5.733 1.00 3.22 H new ATOM 0 HD21 LEU A 37 -9.214 5.390 -5.326 1.00 63.10 H new ATOM 0 HD22 LEU A 37 -8.410 5.225 -6.905 1.00 63.10 H new ATOM 0 HD23 LEU A 37 -10.085 4.663 -6.697 1.00 63.10 H new ATOM 582 N LYS A 38 -5.937 1.070 -8.492 1.00 3.23 N ATOM 583 CA LYS A 38 -4.715 0.284 -8.359 1.00 1.14 C ATOM 584 C LYS A 38 -3.482 1.151 -8.593 1.00 61.13 C ATOM 585 O LYS A 38 -2.408 0.878 -8.056 1.00 12.35 O ATOM 586 CB LYS A 38 -4.726 -0.884 -9.347 1.00 53.41 C ATOM 587 CG LYS A 38 -5.918 -1.811 -9.180 1.00 14.41 C ATOM 588 CD LYS A 38 -5.971 -2.855 -10.282 1.00 62.24 C ATOM 589 CE LYS A 38 -5.211 -4.115 -9.894 1.00 50.43 C ATOM 590 NZ LYS A 38 -5.396 -5.203 -10.893 1.00 62.23 N ATOM 0 H LYS A 38 -6.635 0.663 -9.115 1.00 3.23 H new ATOM 0 HA LYS A 38 -4.673 -0.108 -7.343 1.00 1.14 H new ATOM 0 HB2 LYS A 38 -4.723 -0.489 -10.363 1.00 53.41 H new ATOM 0 HB3 LYS A 38 -3.809 -1.460 -9.226 1.00 53.41 H new ATOM 0 HG2 LYS A 38 -5.862 -2.306 -8.211 1.00 14.41 H new ATOM 0 HG3 LYS A 38 -6.838 -1.227 -9.187 1.00 14.41 H new ATOM 0 HD2 LYS A 38 -7.010 -3.107 -10.496 1.00 62.24 H new ATOM 0 HD3 LYS A 38 -5.548 -2.441 -11.197 1.00 62.24 H new ATOM 0 HE2 LYS A 38 -4.150 -3.885 -9.800 1.00 50.43 H new ATOM 0 HE3 LYS A 38 -5.551 -4.458 -8.917 1.00 50.43 H new ATOM 0 HZ1 LYS A 38 -4.863 -6.044 -10.593 1.00 62.23 H new ATOM 0 HZ2 LYS A 38 -6.406 -5.441 -10.965 1.00 62.23 H new ATOM 0 HZ3 LYS A 38 -5.049 -4.886 -11.820 1.00 62.23 H new ATOM 604 N LYS A 39 -3.644 2.196 -9.396 1.00 42.42 N ATOM 605 CA LYS A 39 -2.544 3.105 -9.700 1.00 54.32 C ATOM 606 C LYS A 39 -1.888 3.612 -8.420 1.00 20.13 C ATOM 607 O LYS A 39 -0.672 3.803 -8.368 1.00 75.30 O ATOM 608 CB LYS A 39 -3.049 4.289 -10.529 1.00 65.03 C ATOM 609 CG LYS A 39 -3.801 5.326 -9.714 1.00 74.12 C ATOM 610 CD LYS A 39 -4.257 6.491 -10.578 1.00 22.40 C ATOM 611 CE LYS A 39 -5.315 6.060 -11.582 1.00 13.11 C ATOM 612 NZ LYS A 39 -5.698 7.172 -12.496 1.00 2.13 N ATOM 0 H LYS A 39 -4.526 2.435 -9.849 1.00 42.42 H new ATOM 0 HA LYS A 39 -1.800 2.555 -10.276 1.00 54.32 H new ATOM 0 HB2 LYS A 39 -2.200 4.768 -11.017 1.00 65.03 H new ATOM 0 HB3 LYS A 39 -3.702 3.917 -11.319 1.00 65.03 H new ATOM 0 HG2 LYS A 39 -4.667 4.861 -9.242 1.00 74.12 H new ATOM 0 HG3 LYS A 39 -3.161 5.695 -8.913 1.00 74.12 H new ATOM 0 HD2 LYS A 39 -4.657 7.281 -9.943 1.00 22.40 H new ATOM 0 HD3 LYS A 39 -3.401 6.910 -11.107 1.00 22.40 H new ATOM 0 HE2 LYS A 39 -4.939 5.221 -12.168 1.00 13.11 H new ATOM 0 HE3 LYS A 39 -6.198 5.707 -11.050 1.00 13.11 H new ATOM 0 HZ1 LYS A 39 -6.421 6.838 -13.165 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 -6.080 7.963 -11.939 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 -4.861 7.492 -13.023 1.00 2.13 H new ATOM 626 N VAL A 40 -2.699 3.825 -7.388 1.00 42.33 N ATOM 627 CA VAL A 40 -2.195 4.307 -6.108 1.00 2.12 C ATOM 628 C VAL A 40 -1.341 3.248 -5.420 1.00 24.41 C ATOM 629 O VAL A 40 -0.126 3.401 -5.292 1.00 5.00 O ATOM 630 CB VAL A 40 -3.347 4.712 -5.169 1.00 30.22 C ATOM 631 CG1 VAL A 40 -2.827 4.958 -3.760 1.00 61.24 C ATOM 632 CG2 VAL A 40 -4.062 5.942 -5.704 1.00 14.33 C ATOM 0 H VAL A 40 -3.707 3.671 -7.414 1.00 42.33 H new ATOM 0 HA VAL A 40 -1.582 5.183 -6.318 1.00 2.12 H new ATOM 0 HB VAL A 40 -4.064 3.892 -5.128 1.00 30.22 H new ATOM 0 HG11 VAL A 40 -3.655 5.243 -3.111 1.00 61.24 H new ATOM 0 HG12 VAL A 40 -2.364 4.048 -3.379 1.00 61.24 H new ATOM 0 HG13 VAL A 40 -2.089 5.760 -3.779 1.00 61.24 H new ATOM 0 HG21 VAL A 40 -4.873 6.214 -5.028 1.00 14.33 H new ATOM 0 HG22 VAL A 40 -3.357 6.770 -5.777 1.00 14.33 H new ATOM 0 HG23 VAL A 40 -4.470 5.725 -6.691 1.00 14.33 H new ATOM 642 N LEU A 41 -1.984 2.173 -4.978 1.00 60.11 N ATOM 643 CA LEU A 41 -1.284 1.086 -4.303 1.00 25.15 C ATOM 644 C LEU A 41 -0.076 0.628 -5.115 1.00 55.23 C ATOM 645 O LEU A 41 1.019 0.468 -4.579 1.00 3.54 O ATOM 646 CB LEU A 41 -2.232 -0.092 -4.070 1.00 34.22 C ATOM 647 CG LEU A 41 -3.559 0.240 -3.387 1.00 12.23 C ATOM 648 CD1 LEU A 41 -4.693 -0.565 -4.004 1.00 2.04 C ATOM 649 CD2 LEU A 41 -3.470 -0.020 -1.891 1.00 43.12 C ATOM 0 H LEU A 41 -2.989 2.031 -5.075 1.00 60.11 H new ATOM 0 HA LEU A 41 -0.932 1.457 -3.340 1.00 25.15 H new ATOM 0 HB2 LEU A 41 -2.448 -0.555 -5.033 1.00 34.22 H new ATOM 0 HB3 LEU A 41 -1.712 -0.837 -3.467 1.00 34.22 H new ATOM 0 HG LEU A 41 -3.768 1.299 -3.539 1.00 12.23 H new ATOM 0 HD11 LEU A 41 -5.630 -0.316 -3.505 1.00 2.04 H new ATOM 0 HD12 LEU A 41 -4.772 -0.328 -5.065 1.00 2.04 H new ATOM 0 HD13 LEU A 41 -4.491 -1.629 -3.885 1.00 2.04 H new ATOM 0 HD21 LEU A 41 -4.424 0.222 -1.422 1.00 43.12 H new ATOM 0 HD22 LEU A 41 -3.237 -1.071 -1.718 1.00 43.12 H new ATOM 0 HD23 LEU A 41 -2.686 0.602 -1.460 1.00 43.12 H new ATOM 661 N GLU A 42 -0.286 0.421 -6.411 1.00 33.20 N ATOM 662 CA GLU A 42 0.786 -0.017 -7.297 1.00 54.01 C ATOM 663 C GLU A 42 1.951 0.967 -7.268 1.00 60.14 C ATOM 664 O GLU A 42 3.066 0.614 -6.885 1.00 63.13 O ATOM 665 CB GLU A 42 0.266 -0.167 -8.729 1.00 35.22 C ATOM 666 CG GLU A 42 -0.604 -1.395 -8.935 1.00 33.45 C ATOM 667 CD GLU A 42 -0.289 -2.123 -10.227 1.00 31.12 C ATOM 668 OE1 GLU A 42 0.703 -2.880 -10.256 1.00 65.11 O ATOM 669 OE2 GLU A 42 -1.037 -1.936 -11.210 1.00 54.03 O ATOM 0 H GLU A 42 -1.188 0.549 -6.870 1.00 33.20 H new ATOM 0 HA GLU A 42 1.141 -0.985 -6.944 1.00 54.01 H new ATOM 0 HB2 GLU A 42 -0.307 0.722 -8.994 1.00 35.22 H new ATOM 0 HB3 GLU A 42 1.114 -0.215 -9.412 1.00 35.22 H new ATOM 0 HG2 GLU A 42 -0.468 -2.077 -8.096 1.00 33.45 H new ATOM 0 HG3 GLU A 42 -1.652 -1.097 -8.937 1.00 33.45 H new ATOM 676 N ASN A 43 1.685 2.203 -7.678 1.00 1.03 N ATOM 677 CA ASN A 43 2.711 3.239 -7.700 1.00 1.32 C ATOM 678 C ASN A 43 3.432 3.320 -6.358 1.00 71.02 C ATOM 679 O ASN A 43 4.641 3.101 -6.276 1.00 62.33 O ATOM 680 CB ASN A 43 2.090 4.595 -8.040 1.00 54.21 C ATOM 681 CG ASN A 43 3.111 5.716 -8.038 1.00 72.04 C ATOM 682 OD1 ASN A 43 4.317 5.472 -8.060 1.00 14.13 O ATOM 683 ND2 ASN A 43 2.630 6.954 -8.014 1.00 60.23 N ATOM 0 H ASN A 43 0.767 2.511 -8.000 1.00 1.03 H new ATOM 0 HA ASN A 43 3.439 2.977 -8.468 1.00 1.32 H new ATOM 0 HB2 ASN A 43 1.618 4.539 -9.021 1.00 54.21 H new ATOM 0 HB3 ASN A 43 1.304 4.822 -7.320 1.00 54.21 H new ATOM 0 HD21 ASN A 43 3.269 7.749 -8.013 1.00 60.23 H new ATOM 0 HD22 ASN A 43 1.622 7.109 -7.996 1.00 60.23 H new ATOM 690 N TYR A 44 2.682 3.634 -5.307 1.00 52.24 N ATOM 691 CA TYR A 44 3.250 3.746 -3.969 1.00 34.11 C ATOM 692 C TYR A 44 4.064 2.505 -3.618 1.00 61.32 C ATOM 693 O TYR A 44 5.166 2.604 -3.076 1.00 4.12 O ATOM 694 CB TYR A 44 2.139 3.949 -2.937 1.00 51.33 C ATOM 695 CG TYR A 44 1.699 5.389 -2.797 1.00 11.43 C ATOM 696 CD1 TYR A 44 2.514 6.328 -2.177 1.00 23.34 C ATOM 697 CD2 TYR A 44 0.467 5.811 -3.284 1.00 3.45 C ATOM 698 CE1 TYR A 44 2.116 7.644 -2.046 1.00 11.12 C ATOM 699 CE2 TYR A 44 0.062 7.125 -3.158 1.00 41.23 C ATOM 700 CZ TYR A 44 0.889 8.038 -2.538 1.00 43.24 C ATOM 701 OH TYR A 44 0.489 9.349 -2.410 1.00 62.42 O ATOM 0 H TYR A 44 1.679 3.815 -5.356 1.00 52.24 H new ATOM 0 HA TYR A 44 3.914 4.610 -3.954 1.00 34.11 H new ATOM 0 HB2 TYR A 44 1.279 3.341 -3.217 1.00 51.33 H new ATOM 0 HB3 TYR A 44 2.484 3.587 -1.968 1.00 51.33 H new ATOM 0 HD1 TYR A 44 3.476 6.024 -1.791 1.00 23.34 H new ATOM 0 HD2 TYR A 44 -0.184 5.099 -3.769 1.00 3.45 H new ATOM 0 HE1 TYR A 44 2.762 8.361 -1.561 1.00 11.12 H new ATOM 0 HE2 TYR A 44 -0.898 7.436 -3.543 1.00 41.23 H new ATOM 0 HH TYR A 44 -0.261 9.523 -3.017 1.00 62.42 H new ATOM 711 N LEU A 45 3.515 1.336 -3.931 1.00 1.33 N ATOM 712 CA LEU A 45 4.190 0.074 -3.650 1.00 13.35 C ATOM 713 C LEU A 45 5.567 0.035 -4.305 1.00 33.02 C ATOM 714 O LEU A 45 6.524 -0.479 -3.728 1.00 1.52 O ATOM 715 CB LEU A 45 3.343 -1.100 -4.143 1.00 40.24 C ATOM 716 CG LEU A 45 4.001 -2.479 -4.070 1.00 52.34 C ATOM 717 CD1 LEU A 45 3.980 -3.006 -2.644 1.00 34.01 C ATOM 718 CD2 LEU A 45 3.304 -3.452 -5.011 1.00 25.42 C ATOM 0 H LEU A 45 2.604 1.236 -4.379 1.00 1.33 H new ATOM 0 HA LEU A 45 4.320 -0.008 -2.571 1.00 13.35 H new ATOM 0 HB2 LEU A 45 2.422 -1.128 -3.561 1.00 40.24 H new ATOM 0 HB3 LEU A 45 3.060 -0.909 -5.178 1.00 40.24 H new ATOM 0 HG LEU A 45 5.040 -2.382 -4.384 1.00 52.34 H new ATOM 0 HD11 LEU A 45 4.452 -3.988 -2.612 1.00 34.01 H new ATOM 0 HD12 LEU A 45 4.524 -2.320 -1.995 1.00 34.01 H new ATOM 0 HD13 LEU A 45 2.948 -3.088 -2.302 1.00 34.01 H new ATOM 0 HD21 LEU A 45 3.785 -4.428 -4.947 1.00 25.42 H new ATOM 0 HD22 LEU A 45 2.256 -3.544 -4.728 1.00 25.42 H new ATOM 0 HD23 LEU A 45 3.372 -3.081 -6.034 1.00 25.42 H new ATOM 730 N GLU A 46 5.657 0.584 -5.512 1.00 62.21 N ATOM 731 CA GLU A 46 6.918 0.612 -6.245 1.00 33.31 C ATOM 732 C GLU A 46 7.931 1.518 -5.550 1.00 33.31 C ATOM 733 O GLU A 46 9.127 1.228 -5.531 1.00 35.04 O ATOM 734 CB GLU A 46 6.689 1.092 -7.680 1.00 23.33 C ATOM 735 CG GLU A 46 7.604 0.428 -8.696 1.00 53.22 C ATOM 736 CD GLU A 46 7.304 -1.047 -8.875 1.00 53.25 C ATOM 737 OE1 GLU A 46 6.237 -1.497 -8.408 1.00 75.53 O ATOM 738 OE2 GLU A 46 8.137 -1.752 -9.483 1.00 13.12 O ATOM 0 H GLU A 46 4.873 1.015 -6.003 1.00 62.21 H new ATOM 0 HA GLU A 46 7.318 -0.402 -6.268 1.00 33.31 H new ATOM 0 HB2 GLU A 46 5.652 0.901 -7.957 1.00 23.33 H new ATOM 0 HB3 GLU A 46 6.836 2.171 -7.721 1.00 23.33 H new ATOM 0 HG2 GLU A 46 7.503 0.935 -9.656 1.00 53.22 H new ATOM 0 HG3 GLU A 46 8.640 0.548 -8.380 1.00 53.22 H new ATOM 745 N GLU A 47 7.442 2.615 -4.980 1.00 60.23 N ATOM 746 CA GLU A 47 8.304 3.563 -4.286 1.00 64.33 C ATOM 747 C GLU A 47 9.117 2.865 -3.199 1.00 42.10 C ATOM 748 O GLU A 47 10.257 3.240 -2.923 1.00 12.35 O ATOM 749 CB GLU A 47 7.471 4.689 -3.670 1.00 70.34 C ATOM 750 CG GLU A 47 6.712 5.514 -4.695 1.00 10.52 C ATOM 751 CD GLU A 47 6.148 6.795 -4.111 1.00 1.11 C ATOM 752 OE1 GLU A 47 6.947 7.663 -3.701 1.00 75.21 O ATOM 753 OE2 GLU A 47 4.907 6.929 -4.064 1.00 42.53 O ATOM 0 H GLU A 47 6.454 2.868 -4.985 1.00 60.23 H new ATOM 0 HA GLU A 47 8.993 3.988 -5.016 1.00 64.33 H new ATOM 0 HB2 GLU A 47 6.761 4.260 -2.964 1.00 70.34 H new ATOM 0 HB3 GLU A 47 8.128 5.347 -3.101 1.00 70.34 H new ATOM 0 HG2 GLU A 47 7.377 5.759 -5.523 1.00 10.52 H new ATOM 0 HG3 GLU A 47 5.898 4.917 -5.106 1.00 10.52 H new ATOM 760 N LEU A 48 8.523 1.847 -2.587 1.00 32.03 N ATOM 761 CA LEU A 48 9.190 1.095 -1.529 1.00 62.05 C ATOM 762 C LEU A 48 10.476 0.457 -2.044 1.00 5.22 C ATOM 763 O LEU A 48 11.473 0.379 -1.325 1.00 62.34 O ATOM 764 CB LEU A 48 8.257 0.016 -0.978 1.00 22.12 C ATOM 765 CG LEU A 48 7.113 0.506 -0.089 1.00 5.25 C ATOM 766 CD1 LEU A 48 5.810 -0.176 -0.471 1.00 22.24 C ATOM 767 CD2 LEU A 48 7.436 0.263 1.378 1.00 0.24 C ATOM 0 H LEU A 48 7.581 1.523 -2.805 1.00 32.03 H new ATOM 0 HA LEU A 48 9.445 1.789 -0.728 1.00 62.05 H new ATOM 0 HB2 LEU A 48 7.829 -0.529 -1.819 1.00 22.12 H new ATOM 0 HB3 LEU A 48 8.854 -0.695 -0.408 1.00 22.12 H new ATOM 0 HG LEU A 48 6.994 1.579 -0.241 1.00 5.25 H new ATOM 0 HD11 LEU A 48 5.008 0.185 0.172 1.00 22.24 H new ATOM 0 HD12 LEU A 48 5.572 0.051 -1.510 1.00 22.24 H new ATOM 0 HD13 LEU A 48 5.914 -1.254 -0.350 1.00 22.24 H new ATOM 0 HD21 LEU A 48 6.611 0.618 1.996 1.00 0.24 H new ATOM 0 HD22 LEU A 48 7.583 -0.804 1.546 1.00 0.24 H new ATOM 0 HD23 LEU A 48 8.346 0.801 1.644 1.00 0.24 H new ATOM 779 N LYS A 49 10.448 0.004 -3.293 1.00 4.21 N ATOM 780 CA LYS A 49 11.612 -0.624 -3.905 1.00 55.14 C ATOM 781 C LYS A 49 12.711 0.402 -4.164 1.00 52.40 C ATOM 782 O LYS A 49 13.897 0.084 -4.094 1.00 42.42 O ATOM 783 CB LYS A 49 11.218 -1.305 -5.217 1.00 74.23 C ATOM 784 CG LYS A 49 10.347 -2.535 -5.027 1.00 21.24 C ATOM 785 CD LYS A 49 8.899 -2.158 -4.762 1.00 4.23 C ATOM 786 CE LYS A 49 7.939 -3.080 -5.497 1.00 11.12 C ATOM 787 NZ LYS A 49 8.154 -4.508 -5.133 1.00 3.40 N ATOM 0 H LYS A 49 9.631 0.060 -3.901 1.00 4.21 H new ATOM 0 HA LYS A 49 11.995 -1.374 -3.213 1.00 55.14 H new ATOM 0 HB2 LYS A 49 10.688 -0.588 -5.844 1.00 74.23 H new ATOM 0 HB3 LYS A 49 12.122 -1.590 -5.754 1.00 74.23 H new ATOM 0 HG2 LYS A 49 10.403 -3.163 -5.916 1.00 21.24 H new ATOM 0 HG3 LYS A 49 10.728 -3.127 -4.195 1.00 21.24 H new ATOM 0 HD2 LYS A 49 8.700 -2.203 -3.691 1.00 4.23 H new ATOM 0 HD3 LYS A 49 8.727 -1.128 -5.075 1.00 4.23 H new ATOM 0 HE2 LYS A 49 6.913 -2.796 -5.264 1.00 11.12 H new ATOM 0 HE3 LYS A 49 8.068 -2.956 -6.572 1.00 11.12 H new ATOM 0 HZ1 LYS A 49 7.346 -5.075 -5.460 1.00 3.40 H new ATOM 0 HZ2 LYS A 49 9.025 -4.854 -5.584 1.00 3.40 H new ATOM 0 HZ3 LYS A 49 8.242 -4.594 -4.100 1.00 3.40 H new ATOM 801 N GLN A 50 12.307 1.633 -4.461 1.00 43.10 N ATOM 802 CA GLN A 50 13.259 2.705 -4.729 1.00 2.34 C ATOM 803 C GLN A 50 13.975 3.129 -3.450 1.00 74.22 C ATOM 804 O GLN A 50 13.405 3.078 -2.361 1.00 13.33 O ATOM 805 CB GLN A 50 12.544 3.907 -5.349 1.00 13.41 C ATOM 806 CG GLN A 50 11.739 3.562 -6.592 1.00 33.43 C ATOM 807 CD GLN A 50 11.152 4.786 -7.266 1.00 34.14 C ATOM 808 OE1 GLN A 50 11.336 5.911 -6.803 1.00 10.40 O ATOM 809 NE2 GLN A 50 10.440 4.571 -8.366 1.00 4.54 N ATOM 0 H GLN A 50 11.328 1.913 -4.522 1.00 43.10 H new ATOM 0 HA GLN A 50 14.002 2.330 -5.433 1.00 2.34 H new ATOM 0 HB2 GLN A 50 11.879 4.346 -4.606 1.00 13.41 H new ATOM 0 HB3 GLN A 50 13.283 4.667 -5.604 1.00 13.41 H new ATOM 0 HG2 GLN A 50 12.379 3.034 -7.299 1.00 33.43 H new ATOM 0 HG3 GLN A 50 10.933 2.880 -6.321 1.00 33.43 H new ATOM 0 HE21 GLN A 50 10.313 3.621 -8.714 1.00 4.54 H new ATOM 0 HE22 GLN A 50 10.020 5.356 -8.863 1.00 4.54 H new ATOM 818 N LYS A 51 15.229 3.545 -3.592 1.00 3.00 N ATOM 819 CA LYS A 51 16.025 3.979 -2.449 1.00 60.12 C ATOM 820 C LYS A 51 15.859 5.475 -2.207 1.00 12.51 C ATOM 821 O LYS A 51 16.588 6.070 -1.415 1.00 24.44 O ATOM 822 CB LYS A 51 17.501 3.649 -2.676 1.00 63.03 C ATOM 823 CG LYS A 51 18.145 4.468 -3.781 1.00 2.42 C ATOM 824 CD LYS A 51 19.394 3.792 -4.322 1.00 31.43 C ATOM 825 CE LYS A 51 20.629 4.182 -3.525 1.00 62.41 C ATOM 826 NZ LYS A 51 20.654 3.530 -2.186 1.00 72.21 N ATOM 0 H LYS A 51 15.716 3.591 -4.487 1.00 3.00 H new ATOM 0 HA LYS A 51 15.671 3.445 -1.567 1.00 60.12 H new ATOM 0 HB2 LYS A 51 18.048 3.813 -1.748 1.00 63.03 H new ATOM 0 HB3 LYS A 51 17.595 2.590 -2.918 1.00 63.03 H new ATOM 0 HG2 LYS A 51 17.430 4.614 -4.591 1.00 2.42 H new ATOM 0 HG3 LYS A 51 18.401 5.456 -3.400 1.00 2.42 H new ATOM 0 HD2 LYS A 51 19.266 2.710 -4.290 1.00 31.43 H new ATOM 0 HD3 LYS A 51 19.533 4.066 -5.368 1.00 31.43 H new ATOM 0 HE2 LYS A 51 21.524 3.903 -4.082 1.00 62.41 H new ATOM 0 HE3 LYS A 51 20.655 5.265 -3.402 1.00 62.41 H new ATOM 0 HZ1 LYS A 51 21.640 3.381 -1.891 1.00 72.21 H new ATOM 0 HZ2 LYS A 51 20.174 4.140 -1.494 1.00 72.21 H new ATOM 0 HZ3 LYS A 51 20.166 2.613 -2.237 1.00 72.21 H new ATOM 840 N SER A 52 14.893 6.077 -2.893 1.00 54.51 N ATOM 841 CA SER A 52 14.632 7.506 -2.754 1.00 32.41 C ATOM 842 C SER A 52 13.712 7.777 -1.568 1.00 72.21 C ATOM 843 O SER A 52 14.150 8.260 -0.525 1.00 61.34 O ATOM 844 CB SER A 52 14.007 8.059 -4.037 1.00 1.14 C ATOM 845 OG SER A 52 13.703 9.437 -3.901 1.00 73.14 O ATOM 0 H SER A 52 14.278 5.598 -3.551 1.00 54.51 H new ATOM 0 HA SER A 52 15.583 8.009 -2.576 1.00 32.41 H new ATOM 0 HB2 SER A 52 14.693 7.915 -4.871 1.00 1.14 H new ATOM 0 HB3 SER A 52 13.099 7.504 -4.272 1.00 1.14 H new ATOM 0 HG SER A 52 13.306 9.768 -4.734 1.00 73.14 H new ATOM 851 N ALA A 53 12.431 7.462 -1.737 1.00 23.33 N ATOM 852 CA ALA A 53 11.449 7.669 -0.681 1.00 74.30 C ATOM 853 C ALA A 53 11.617 6.643 0.435 1.00 33.04 C ATOM 854 O ALA A 53 11.904 5.474 0.178 1.00 24.24 O ATOM 855 CB ALA A 53 10.039 7.604 -1.251 1.00 40.34 C ATOM 0 H ALA A 53 12.050 7.063 -2.595 1.00 23.33 H new ATOM 0 HA ALA A 53 11.613 8.659 -0.256 1.00 74.30 H new ATOM 0 HB1 ALA A 53 9.316 7.760 -0.451 1.00 40.34 H new ATOM 0 HB2 ALA A 53 9.916 8.379 -2.008 1.00 40.34 H new ATOM 0 HB3 ALA A 53 9.874 6.626 -1.703 1.00 40.34 H new ATOM 861 N SER A 54 11.436 7.088 1.674 1.00 25.12 N ATOM 862 CA SER A 54 11.572 6.209 2.830 1.00 22.12 C ATOM 863 C SER A 54 10.359 5.295 2.964 1.00 71.02 C ATOM 864 O SER A 54 9.272 5.612 2.480 1.00 15.34 O ATOM 865 CB SER A 54 11.747 7.034 4.106 1.00 30.33 C ATOM 866 OG SER A 54 12.389 6.277 5.119 1.00 11.23 O ATOM 0 H SER A 54 11.195 8.052 1.904 1.00 25.12 H new ATOM 0 HA SER A 54 12.456 5.589 2.682 1.00 22.12 H new ATOM 0 HB2 SER A 54 12.333 7.927 3.888 1.00 30.33 H new ATOM 0 HB3 SER A 54 10.773 7.371 4.461 1.00 30.33 H new ATOM 0 HG SER A 54 12.491 6.827 5.924 1.00 11.23 H new ATOM 872 N VAL A 55 10.552 4.158 3.624 1.00 24.20 N ATOM 873 CA VAL A 55 9.474 3.197 3.823 1.00 23.25 C ATOM 874 C VAL A 55 8.238 3.870 4.410 1.00 44.23 C ATOM 875 O VAL A 55 7.148 3.829 3.840 1.00 32.55 O ATOM 876 CB VAL A 55 9.910 2.048 4.753 1.00 51.34 C ATOM 877 CG1 VAL A 55 8.722 1.519 5.541 1.00 31.23 C ATOM 878 CG2 VAL A 55 10.567 0.935 3.952 1.00 44.21 C ATOM 0 H VAL A 55 11.445 3.880 4.030 1.00 24.20 H new ATOM 0 HA VAL A 55 9.230 2.788 2.842 1.00 23.25 H new ATOM 0 HB VAL A 55 10.642 2.435 5.462 1.00 51.34 H new ATOM 0 HG11 VAL A 55 9.049 0.708 6.192 1.00 31.23 H new ATOM 0 HG12 VAL A 55 8.300 2.322 6.145 1.00 31.23 H new ATOM 0 HG13 VAL A 55 7.964 1.147 4.851 1.00 31.23 H new ATOM 0 HG21 VAL A 55 10.869 0.132 4.625 1.00 44.21 H new ATOM 0 HG22 VAL A 55 9.859 0.548 3.219 1.00 44.21 H new ATOM 0 HG23 VAL A 55 11.445 1.326 3.438 1.00 44.21 H new ATOM 888 N PRO A 56 8.411 4.508 5.578 1.00 70.15 N ATOM 889 CA PRO A 56 7.321 5.204 6.268 1.00 21.33 C ATOM 890 C PRO A 56 6.881 6.465 5.532 1.00 21.34 C ATOM 891 O PRO A 56 5.765 6.949 5.722 1.00 1.52 O ATOM 892 CB PRO A 56 7.933 5.562 7.625 1.00 34.23 C ATOM 893 CG PRO A 56 9.399 5.625 7.375 1.00 23.42 C ATOM 894 CD PRO A 56 9.683 4.598 6.314 1.00 11.31 C ATOM 0 HA PRO A 56 6.424 4.589 6.338 1.00 21.33 H new ATOM 0 HB2 PRO A 56 7.553 6.515 7.991 1.00 34.23 H new ATOM 0 HB3 PRO A 56 7.692 4.812 8.378 1.00 34.23 H new ATOM 0 HG2 PRO A 56 9.696 6.620 7.044 1.00 23.42 H new ATOM 0 HG3 PRO A 56 9.960 5.411 8.285 1.00 23.42 H new ATOM 0 HD2 PRO A 56 10.502 4.907 5.665 1.00 11.31 H new ATOM 0 HD3 PRO A 56 9.965 3.639 6.748 1.00 11.31 H new ATOM 902 N LEU A 57 7.765 6.992 4.692 1.00 71.11 N ATOM 903 CA LEU A 57 7.467 8.198 3.926 1.00 34.11 C ATOM 904 C LEU A 57 6.513 7.892 2.777 1.00 72.25 C ATOM 905 O LEU A 57 5.746 8.754 2.346 1.00 64.52 O ATOM 906 CB LEU A 57 8.758 8.813 3.383 1.00 20.22 C ATOM 907 CG LEU A 57 9.562 9.664 4.367 1.00 71.05 C ATOM 908 CD1 LEU A 57 10.862 10.130 3.729 1.00 11.03 C ATOM 909 CD2 LEU A 57 8.740 10.854 4.837 1.00 12.51 C ATOM 0 H LEU A 57 8.693 6.604 4.524 1.00 71.11 H new ATOM 0 HA LEU A 57 6.984 8.912 4.593 1.00 34.11 H new ATOM 0 HB2 LEU A 57 9.398 8.007 3.024 1.00 20.22 H new ATOM 0 HB3 LEU A 57 8.508 9.430 2.520 1.00 20.22 H new ATOM 0 HG LEU A 57 9.806 9.051 5.235 1.00 71.05 H new ATOM 0 HD11 LEU A 57 11.422 10.734 4.443 1.00 11.03 H new ATOM 0 HD12 LEU A 57 11.457 9.263 3.442 1.00 11.03 H new ATOM 0 HD13 LEU A 57 10.640 10.727 2.844 1.00 11.03 H new ATOM 0 HD21 LEU A 57 9.328 11.449 5.537 1.00 12.51 H new ATOM 0 HD22 LEU A 57 8.466 11.468 3.979 1.00 12.51 H new ATOM 0 HD23 LEU A 57 7.836 10.499 5.332 1.00 12.51 H new ATOM 921 N ILE A 58 6.565 6.658 2.285 1.00 33.42 N ATOM 922 CA ILE A 58 5.703 6.237 1.188 1.00 53.11 C ATOM 923 C ILE A 58 4.348 5.761 1.703 1.00 24.54 C ATOM 924 O ILE A 58 3.303 6.143 1.177 1.00 13.13 O ATOM 925 CB ILE A 58 6.351 5.109 0.363 1.00 10.05 C ATOM 926 CG1 ILE A 58 7.717 5.554 -0.165 1.00 35.43 C ATOM 927 CG2 ILE A 58 5.440 4.701 -0.785 1.00 52.00 C ATOM 928 CD1 ILE A 58 8.671 4.406 -0.412 1.00 73.14 C ATOM 0 H ILE A 58 7.195 5.933 2.629 1.00 33.42 H new ATOM 0 HA ILE A 58 5.560 7.108 0.548 1.00 53.11 H new ATOM 0 HB ILE A 58 6.497 4.244 1.010 1.00 10.05 H new ATOM 0 HG12 ILE A 58 7.576 6.106 -1.094 1.00 35.43 H new ATOM 0 HG13 ILE A 58 8.167 6.243 0.550 1.00 35.43 H new ATOM 0 HG21 ILE A 58 5.912 3.903 -1.358 1.00 52.00 H new ATOM 0 HG22 ILE A 58 4.489 4.348 -0.387 1.00 52.00 H new ATOM 0 HG23 ILE A 58 5.265 5.559 -1.434 1.00 52.00 H new ATOM 0 HD11 ILE A 58 9.619 4.794 -0.785 1.00 73.14 H new ATOM 0 HD12 ILE A 58 8.841 3.867 0.520 1.00 73.14 H new ATOM 0 HD13 ILE A 58 8.241 3.728 -1.149 1.00 73.14 H new ATOM 940 N LEU A 59 4.376 4.927 2.737 1.00 53.11 N ATOM 941 CA LEU A 59 3.149 4.399 3.326 1.00 63.11 C ATOM 942 C LEU A 59 2.252 5.529 3.820 1.00 51.43 C ATOM 943 O LEU A 59 1.033 5.486 3.654 1.00 22.45 O ATOM 944 CB LEU A 59 3.482 3.455 4.483 1.00 50.02 C ATOM 945 CG LEU A 59 4.174 2.145 4.103 1.00 14.32 C ATOM 946 CD1 LEU A 59 4.817 1.507 5.325 1.00 51.34 C ATOM 947 CD2 LEU A 59 3.182 1.187 3.458 1.00 12.42 C ATOM 0 H LEU A 59 5.233 4.602 3.185 1.00 53.11 H new ATOM 0 HA LEU A 59 2.613 3.845 2.555 1.00 63.11 H new ATOM 0 HB2 LEU A 59 4.120 3.988 5.188 1.00 50.02 H new ATOM 0 HB3 LEU A 59 2.557 3.215 5.008 1.00 50.02 H new ATOM 0 HG LEU A 59 4.959 2.366 3.380 1.00 14.32 H new ATOM 0 HD11 LEU A 59 5.304 0.576 5.035 1.00 51.34 H new ATOM 0 HD12 LEU A 59 5.557 2.189 5.745 1.00 51.34 H new ATOM 0 HD13 LEU A 59 4.051 1.298 6.072 1.00 51.34 H new ATOM 0 HD21 LEU A 59 3.691 0.260 3.194 1.00 12.42 H new ATOM 0 HD22 LEU A 59 2.376 0.971 4.159 1.00 12.42 H new ATOM 0 HD23 LEU A 59 2.768 1.643 2.559 1.00 12.42 H new ATOM 959 N SER A 60 2.864 6.543 4.425 1.00 71.11 N ATOM 960 CA SER A 60 2.120 7.686 4.943 1.00 62.43 C ATOM 961 C SER A 60 1.311 8.354 3.837 1.00 44.45 C ATOM 962 O SER A 60 0.102 8.541 3.963 1.00 12.31 O ATOM 963 CB SER A 60 3.077 8.698 5.576 1.00 53.31 C ATOM 964 OG SER A 60 3.948 9.251 4.606 1.00 45.33 O ATOM 0 H SER A 60 3.872 6.596 4.568 1.00 71.11 H new ATOM 0 HA SER A 60 1.429 7.325 5.705 1.00 62.43 H new ATOM 0 HB2 SER A 60 2.506 9.495 6.053 1.00 53.31 H new ATOM 0 HB3 SER A 60 3.660 8.212 6.358 1.00 53.31 H new ATOM 0 HG SER A 60 4.549 9.896 5.035 1.00 45.33 H new ATOM 970 N ARG A 61 1.990 8.714 2.751 1.00 41.11 N ATOM 971 CA ARG A 61 1.335 9.364 1.623 1.00 50.43 C ATOM 972 C ARG A 61 0.296 8.443 0.992 1.00 72.41 C ATOM 973 O ARG A 61 -0.781 8.886 0.593 1.00 44.01 O ATOM 974 CB ARG A 61 2.370 9.775 0.573 1.00 24.20 C ATOM 975 CG ARG A 61 2.934 11.170 0.788 1.00 42.23 C ATOM 976 CD ARG A 61 3.569 11.309 2.163 1.00 51.53 C ATOM 977 NE ARG A 61 4.084 12.657 2.393 1.00 24.33 N ATOM 978 CZ ARG A 61 5.236 13.097 1.900 1.00 70.14 C ATOM 979 NH1 ARG A 61 5.988 12.302 1.152 1.00 52.20 N ATOM 980 NH2 ARG A 61 5.637 14.336 2.155 1.00 62.12 N ATOM 0 H ARG A 61 2.992 8.566 2.630 1.00 41.11 H new ATOM 0 HA ARG A 61 0.828 10.255 1.994 1.00 50.43 H new ATOM 0 HB2 ARG A 61 3.189 9.056 0.581 1.00 24.20 H new ATOM 0 HB3 ARG A 61 1.912 9.725 -0.415 1.00 24.20 H new ATOM 0 HG2 ARG A 61 3.677 11.386 0.020 1.00 42.23 H new ATOM 0 HG3 ARG A 61 2.138 11.906 0.678 1.00 42.23 H new ATOM 0 HD2 ARG A 61 2.832 11.066 2.929 1.00 51.53 H new ATOM 0 HD3 ARG A 61 4.381 10.589 2.262 1.00 51.53 H new ATOM 0 HE ARG A 61 3.528 13.295 2.963 1.00 24.33 H new ATOM 0 HH11 ARG A 61 5.682 11.349 0.954 1.00 52.20 H new ATOM 0 HH12 ARG A 61 6.872 12.643 0.775 1.00 52.20 H new ATOM 0 HH21 ARG A 61 5.060 14.951 2.730 1.00 62.12 H new ATOM 0 HH22 ARG A 61 6.522 14.674 1.776 1.00 62.12 H new ATOM 994 N MET A 62 0.625 7.158 0.906 1.00 21.34 N ATOM 995 CA MET A 62 -0.281 6.174 0.326 1.00 72.11 C ATOM 996 C MET A 62 -1.657 6.247 0.982 1.00 45.13 C ATOM 997 O MET A 62 -2.657 6.513 0.318 1.00 51.52 O ATOM 998 CB MET A 62 0.295 4.765 0.479 1.00 5.41 C ATOM 999 CG MET A 62 -0.422 3.720 -0.361 1.00 23.24 C ATOM 1000 SD MET A 62 0.085 2.037 0.043 1.00 43.44 S ATOM 1001 CE MET A 62 -0.623 1.853 1.677 1.00 15.14 C ATOM 0 H MET A 62 1.512 6.774 1.231 1.00 21.34 H new ATOM 0 HA MET A 62 -0.391 6.401 -0.734 1.00 72.11 H new ATOM 0 HB2 MET A 62 1.349 4.780 0.203 1.00 5.41 H new ATOM 0 HB3 MET A 62 0.245 4.473 1.528 1.00 5.41 H new ATOM 0 HG2 MET A 62 -1.498 3.817 -0.214 1.00 23.24 H new ATOM 0 HG3 MET A 62 -0.226 3.911 -1.416 1.00 23.24 H new ATOM 0 HE1 MET A 62 -0.746 0.794 1.903 1.00 15.14 H new ATOM 0 HE2 MET A 62 0.040 2.306 2.414 1.00 15.14 H new ATOM 0 HE3 MET A 62 -1.594 2.347 1.710 1.00 15.14 H new ATOM 1011 N ASN A 63 -1.697 6.009 2.289 1.00 73.40 N ATOM 1012 CA ASN A 63 -2.950 6.047 3.034 1.00 14.11 C ATOM 1013 C ASN A 63 -3.680 7.367 2.803 1.00 2.14 C ATOM 1014 O ASN A 63 -4.872 7.384 2.495 1.00 50.31 O ATOM 1015 CB ASN A 63 -2.685 5.851 4.528 1.00 22.32 C ATOM 1016 CG ASN A 63 -3.857 5.209 5.244 1.00 73.13 C ATOM 1017 OD1 ASN A 63 -4.533 4.338 4.695 1.00 43.33 O ATOM 1018 ND2 ASN A 63 -4.105 5.638 6.476 1.00 64.42 N ATOM 0 H ASN A 63 -0.877 5.788 2.854 1.00 73.40 H new ATOM 0 HA ASN A 63 -3.583 5.235 2.675 1.00 14.11 H new ATOM 0 HB2 ASN A 63 -1.799 5.230 4.659 1.00 22.32 H new ATOM 0 HB3 ASN A 63 -2.468 6.816 4.985 1.00 22.32 H new ATOM 0 HD21 ASN A 63 -4.882 5.244 7.007 1.00 64.42 H new ATOM 0 HD22 ASN A 63 -3.519 6.362 6.892 1.00 64.42 H new ATOM 1025 N LEU A 64 -2.957 8.471 2.957 1.00 63.24 N ATOM 1026 CA LEU A 64 -3.533 9.796 2.765 1.00 13.11 C ATOM 1027 C LEU A 64 -4.000 9.984 1.325 1.00 55.44 C ATOM 1028 O LEU A 64 -4.777 10.891 1.026 1.00 14.13 O ATOM 1029 CB LEU A 64 -2.513 10.876 3.127 1.00 42.24 C ATOM 1030 CG LEU A 64 -2.461 11.284 4.599 1.00 22.53 C ATOM 1031 CD1 LEU A 64 -3.719 12.045 4.987 1.00 22.13 C ATOM 1032 CD2 LEU A 64 -2.281 10.060 5.486 1.00 73.15 C ATOM 0 H LEU A 64 -1.970 8.474 3.215 1.00 63.24 H new ATOM 0 HA LEU A 64 -4.397 9.887 3.423 1.00 13.11 H new ATOM 0 HB2 LEU A 64 -1.524 10.526 2.833 1.00 42.24 H new ATOM 0 HB3 LEU A 64 -2.727 11.764 2.532 1.00 42.24 H new ATOM 0 HG LEU A 64 -1.604 11.942 4.743 1.00 22.53 H new ATOM 0 HD11 LEU A 64 -3.664 12.327 6.038 1.00 22.13 H new ATOM 0 HD12 LEU A 64 -3.805 12.943 4.374 1.00 22.13 H new ATOM 0 HD13 LEU A 64 -4.591 11.412 4.827 1.00 22.13 H new ATOM 0 HD21 LEU A 64 -2.246 10.370 6.531 1.00 73.15 H new ATOM 0 HD22 LEU A 64 -3.117 9.377 5.338 1.00 73.15 H new ATOM 0 HD23 LEU A 64 -1.350 9.556 5.226 1.00 73.15 H new ATOM 1044 N ASP A 65 -3.523 9.120 0.436 1.00 20.14 N ATOM 1045 CA ASP A 65 -3.894 9.188 -0.973 1.00 24.53 C ATOM 1046 C ASP A 65 -5.124 8.331 -1.253 1.00 33.00 C ATOM 1047 O ASP A 65 -6.059 8.771 -1.923 1.00 13.03 O ATOM 1048 CB ASP A 65 -2.728 8.731 -1.851 1.00 60.24 C ATOM 1049 CG ASP A 65 -2.862 9.206 -3.284 1.00 63.02 C ATOM 1050 OD1 ASP A 65 -3.661 8.609 -4.035 1.00 74.12 O ATOM 1051 OD2 ASP A 65 -2.167 10.175 -3.656 1.00 40.41 O ATOM 0 H ASP A 65 -2.878 8.364 0.666 1.00 20.14 H new ATOM 0 HA ASP A 65 -4.134 10.224 -1.211 1.00 24.53 H new ATOM 0 HB2 ASP A 65 -1.794 9.106 -1.433 1.00 60.24 H new ATOM 0 HB3 ASP A 65 -2.670 7.643 -1.836 1.00 60.24 H new ATOM 1056 N ILE A 66 -5.117 7.107 -0.737 1.00 21.21 N ATOM 1057 CA ILE A 66 -6.233 6.190 -0.932 1.00 61.31 C ATOM 1058 C ILE A 66 -7.504 6.724 -0.281 1.00 22.33 C ATOM 1059 O ILE A 66 -8.588 6.647 -0.857 1.00 75.05 O ATOM 1060 CB ILE A 66 -5.922 4.795 -0.357 1.00 23.23 C ATOM 1061 CG1 ILE A 66 -4.640 4.237 -0.978 1.00 0.11 C ATOM 1062 CG2 ILE A 66 -7.089 3.850 -0.600 1.00 33.32 C ATOM 1063 CD1 ILE A 66 -4.162 2.957 -0.330 1.00 63.55 C ATOM 0 H ILE A 66 -4.351 6.727 -0.181 1.00 21.21 H new ATOM 0 HA ILE A 66 -6.387 6.105 -2.008 1.00 61.31 H new ATOM 0 HB ILE A 66 -5.772 4.887 0.719 1.00 23.23 H new ATOM 0 HG12 ILE A 66 -4.809 4.056 -2.040 1.00 0.11 H new ATOM 0 HG13 ILE A 66 -3.853 4.988 -0.904 1.00 0.11 H new ATOM 0 HG21 ILE A 66 -6.854 2.868 -0.188 1.00 33.32 H new ATOM 0 HG22 ILE A 66 -7.982 4.243 -0.115 1.00 33.32 H new ATOM 0 HG23 ILE A 66 -7.268 3.761 -1.672 1.00 33.32 H new ATOM 0 HD11 ILE A 66 -3.249 2.619 -0.821 1.00 63.55 H new ATOM 0 HD12 ILE A 66 -3.961 3.137 0.726 1.00 63.55 H new ATOM 0 HD13 ILE A 66 -4.931 2.191 -0.427 1.00 63.55 H new ATOM 1075 N SER A 67 -7.361 7.267 0.924 1.00 33.43 N ATOM 1076 CA SER A 67 -8.498 7.813 1.655 1.00 34.45 C ATOM 1077 C SER A 67 -9.302 8.767 0.776 1.00 33.25 C ATOM 1078 O SER A 67 -10.530 8.693 0.720 1.00 70.21 O ATOM 1079 CB SER A 67 -8.021 8.541 2.913 1.00 31.45 C ATOM 1080 OG SER A 67 -7.504 9.821 2.597 1.00 15.24 O ATOM 0 H SER A 67 -6.469 7.340 1.414 1.00 33.43 H new ATOM 0 HA SER A 67 -9.143 6.984 1.946 1.00 34.45 H new ATOM 0 HB2 SER A 67 -8.850 8.643 3.614 1.00 31.45 H new ATOM 0 HB3 SER A 67 -7.254 7.948 3.411 1.00 31.45 H new ATOM 0 HG SER A 67 -7.208 10.266 3.418 1.00 15.24 H new ATOM 1086 N LYS A 68 -8.600 9.664 0.092 1.00 2.15 N ATOM 1087 CA LYS A 68 -9.245 10.634 -0.786 1.00 33.40 C ATOM 1088 C LYS A 68 -9.895 9.940 -1.979 1.00 22.51 C ATOM 1089 O LYS A 68 -10.923 10.387 -2.485 1.00 40.22 O ATOM 1090 CB LYS A 68 -8.227 11.665 -1.275 1.00 4.15 C ATOM 1091 CG LYS A 68 -7.735 11.411 -2.689 1.00 3.20 C ATOM 1092 CD LYS A 68 -6.555 12.304 -3.038 1.00 20.34 C ATOM 1093 CE LYS A 68 -7.008 13.589 -3.713 1.00 13.12 C ATOM 1094 NZ LYS A 68 -7.585 13.333 -5.062 1.00 50.31 N ATOM 0 H LYS A 68 -7.583 9.740 0.129 1.00 2.15 H new ATOM 0 HA LYS A 68 -10.023 11.142 -0.216 1.00 33.40 H new ATOM 0 HB2 LYS A 68 -8.676 12.657 -1.228 1.00 4.15 H new ATOM 0 HB3 LYS A 68 -7.373 11.670 -0.598 1.00 4.15 H new ATOM 0 HG2 LYS A 68 -7.444 10.366 -2.792 1.00 3.20 H new ATOM 0 HG3 LYS A 68 -8.547 11.587 -3.395 1.00 3.20 H new ATOM 0 HD2 LYS A 68 -5.999 12.544 -2.132 1.00 20.34 H new ATOM 0 HD3 LYS A 68 -5.873 11.767 -3.697 1.00 20.34 H new ATOM 0 HE2 LYS A 68 -7.751 14.085 -3.088 1.00 13.12 H new ATOM 0 HE3 LYS A 68 -6.162 14.270 -3.803 1.00 13.12 H new ATOM 0 HZ1 LYS A 68 -7.491 14.187 -5.648 1.00 50.31 H new ATOM 0 HZ2 LYS A 68 -7.077 12.546 -5.513 1.00 50.31 H new ATOM 0 HZ3 LYS A 68 -8.591 13.087 -4.968 1.00 50.31 H new ATOM 1108 N ALA A 69 -9.288 8.843 -2.421 1.00 33.00 N ATOM 1109 CA ALA A 69 -9.809 8.085 -3.553 1.00 14.43 C ATOM 1110 C ALA A 69 -11.141 7.428 -3.206 1.00 13.20 C ATOM 1111 O ALA A 69 -11.906 7.048 -4.093 1.00 75.44 O ATOM 1112 CB ALA A 69 -8.801 7.036 -3.995 1.00 73.14 C ATOM 0 H ALA A 69 -8.436 8.459 -2.013 1.00 33.00 H new ATOM 0 HA ALA A 69 -9.979 8.779 -4.376 1.00 14.43 H new ATOM 0 HB1 ALA A 69 -9.203 6.478 -4.840 1.00 73.14 H new ATOM 0 HB2 ALA A 69 -7.873 7.525 -4.292 1.00 73.14 H new ATOM 0 HB3 ALA A 69 -8.603 6.352 -3.170 1.00 73.14 H new ATOM 1118 N ILE A 70 -11.412 7.298 -1.911 1.00 74.03 N ATOM 1119 CA ILE A 70 -12.652 6.686 -1.449 1.00 12.44 C ATOM 1120 C ILE A 70 -13.863 7.512 -1.873 1.00 72.23 C ATOM 1121 O ILE A 70 -14.638 7.097 -2.735 1.00 54.10 O ATOM 1122 CB ILE A 70 -12.664 6.528 0.083 1.00 14.44 C ATOM 1123 CG1 ILE A 70 -11.384 5.837 0.556 1.00 35.02 C ATOM 1124 CG2 ILE A 70 -13.891 5.743 0.524 1.00 63.33 C ATOM 1125 CD1 ILE A 70 -11.343 5.597 2.049 1.00 41.42 C ATOM 0 H ILE A 70 -10.790 7.608 -1.164 1.00 74.03 H new ATOM 0 HA ILE A 70 -12.708 5.699 -1.909 1.00 12.44 H new ATOM 0 HB ILE A 70 -12.708 7.518 0.536 1.00 14.44 H new ATOM 0 HG12 ILE A 70 -11.284 4.882 0.040 1.00 35.02 H new ATOM 0 HG13 ILE A 70 -10.526 6.445 0.270 1.00 35.02 H new ATOM 0 HG21 ILE A 70 -13.886 5.639 1.609 1.00 63.33 H new ATOM 0 HG22 ILE A 70 -14.792 6.272 0.214 1.00 63.33 H new ATOM 0 HG23 ILE A 70 -13.875 4.755 0.065 1.00 63.33 H new ATOM 0 HD11 ILE A 70 -10.407 5.104 2.313 1.00 41.42 H new ATOM 0 HD12 ILE A 70 -11.411 6.550 2.573 1.00 41.42 H new ATOM 0 HD13 ILE A 70 -12.181 4.963 2.339 1.00 41.42 H new ATOM 1137 N ARG A 71 -14.018 8.681 -1.262 1.00 54.22 N ATOM 1138 CA ARG A 71 -15.135 9.565 -1.577 1.00 25.02 C ATOM 1139 C ARG A 71 -15.157 9.905 -3.064 1.00 43.20 C ATOM 1140 O ARG A 71 -16.207 10.211 -3.626 1.00 13.14 O ATOM 1141 CB ARG A 71 -15.045 10.850 -0.750 1.00 63.05 C ATOM 1142 CG ARG A 71 -13.731 11.596 -0.925 1.00 63.33 C ATOM 1143 CD ARG A 71 -13.794 12.985 -0.310 1.00 24.11 C ATOM 1144 NE ARG A 71 -12.507 13.672 -0.380 1.00 40.43 N ATOM 1145 CZ ARG A 71 -12.239 14.799 0.271 1.00 21.23 C ATOM 1146 NH1 ARG A 71 -13.163 15.360 1.039 1.00 61.13 N ATOM 1147 NH2 ARG A 71 -11.045 15.365 0.157 1.00 41.03 N ATOM 0 H ARG A 71 -13.385 9.039 -0.546 1.00 54.22 H new ATOM 0 HA ARG A 71 -16.059 9.044 -1.328 1.00 25.02 H new ATOM 0 HB2 ARG A 71 -15.867 11.509 -1.028 1.00 63.05 H new ATOM 0 HB3 ARG A 71 -15.176 10.604 0.304 1.00 63.05 H new ATOM 0 HG2 ARG A 71 -12.924 11.028 -0.462 1.00 63.33 H new ATOM 0 HG3 ARG A 71 -13.496 11.677 -1.986 1.00 63.33 H new ATOM 0 HD2 ARG A 71 -14.550 13.577 -0.827 1.00 24.11 H new ATOM 0 HD3 ARG A 71 -14.107 12.907 0.731 1.00 24.11 H new ATOM 0 HE ARG A 71 -11.774 13.264 -0.960 1.00 40.43 H new ATOM 0 HH11 ARG A 71 -14.082 14.926 1.131 1.00 61.13 H new ATOM 0 HH12 ARG A 71 -12.955 16.225 1.538 1.00 61.13 H new ATOM 0 HH21 ARG A 71 -10.331 14.935 -0.431 1.00 41.03 H new ATOM 0 HH22 ARG A 71 -10.841 16.230 0.657 1.00 41.03 H new ATOM 1161 N ASN A 72 -13.989 9.850 -3.696 1.00 4.13 N ATOM 1162 CA ASN A 72 -13.874 10.153 -5.117 1.00 43.35 C ATOM 1163 C ASN A 72 -14.842 9.304 -5.935 1.00 44.34 C ATOM 1164 O ASN A 72 -15.859 9.799 -6.421 1.00 60.21 O ATOM 1165 CB ASN A 72 -12.440 9.916 -5.596 1.00 70.23 C ATOM 1166 CG ASN A 72 -11.656 11.206 -5.736 1.00 63.11 C ATOM 1167 OD1 ASN A 72 -10.965 11.420 -6.732 1.00 43.15 O ATOM 1168 ND2 ASN A 72 -11.759 12.073 -4.735 1.00 74.32 N ATOM 0 H ASN A 72 -13.109 9.598 -3.246 1.00 4.13 H new ATOM 0 HA ASN A 72 -14.129 11.203 -5.261 1.00 43.35 H new ATOM 0 HB2 ASN A 72 -11.929 9.258 -4.893 1.00 70.23 H new ATOM 0 HB3 ASN A 72 -12.461 9.401 -6.556 1.00 70.23 H new ATOM 0 HD21 ASN A 72 -11.253 12.958 -4.773 1.00 74.32 H new ATOM 0 HD22 ASN A 72 -12.344 11.854 -3.929 1.00 74.32 H new ATOM 1175 N ASP A 73 -14.519 8.024 -6.082 1.00 24.14 N ATOM 1176 CA ASP A 73 -15.361 7.104 -6.838 1.00 65.01 C ATOM 1177 C ASP A 73 -16.265 6.303 -5.906 1.00 65.03 C ATOM 1178 O ASP A 73 -16.704 5.204 -6.245 1.00 2.40 O ATOM 1179 CB ASP A 73 -14.497 6.156 -7.671 1.00 3.01 C ATOM 1180 CG ASP A 73 -13.974 6.809 -8.936 1.00 15.12 C ATOM 1181 OD1 ASP A 73 -14.802 7.238 -9.767 1.00 1.13 O ATOM 1182 OD2 ASP A 73 -12.739 6.891 -9.095 1.00 44.43 O ATOM 0 H ASP A 73 -13.680 7.600 -5.687 1.00 24.14 H new ATOM 0 HA ASP A 73 -15.990 7.692 -7.507 1.00 65.01 H new ATOM 0 HB2 ASP A 73 -13.656 5.812 -7.069 1.00 3.01 H new ATOM 0 HB3 ASP A 73 -15.081 5.275 -7.935 1.00 3.01 H new ATOM 1187 N GLY A 74 -16.536 6.859 -4.730 1.00 3.41 N ATOM 1188 CA GLY A 74 -17.384 6.182 -3.767 1.00 0.23 C ATOM 1189 C GLY A 74 -16.932 4.761 -3.495 1.00 32.14 C ATOM 1190 O GLY A 74 -17.735 3.828 -3.534 1.00 72.04 O ATOM 0 H GLY A 74 -16.183 7.767 -4.427 1.00 3.41 H new ATOM 0 HA2 GLY A 74 -17.388 6.744 -2.833 1.00 0.23 H new ATOM 0 HA3 GLY A 74 -18.410 6.169 -4.136 1.00 0.23 H new ATOM 1194 N VAL A 75 -15.643 4.594 -3.219 1.00 23.11 N ATOM 1195 CA VAL A 75 -15.085 3.276 -2.940 1.00 2.22 C ATOM 1196 C VAL A 75 -15.378 2.848 -1.506 1.00 65.25 C ATOM 1197 O VAL A 75 -15.573 3.684 -0.623 1.00 70.13 O ATOM 1198 CB VAL A 75 -13.562 3.250 -3.172 1.00 34.02 C ATOM 1199 CG1 VAL A 75 -13.042 1.822 -3.144 1.00 32.51 C ATOM 1200 CG2 VAL A 75 -13.213 3.929 -4.488 1.00 74.42 C ATOM 0 H VAL A 75 -14.965 5.355 -3.183 1.00 23.11 H new ATOM 0 HA VAL A 75 -15.561 2.578 -3.629 1.00 2.22 H new ATOM 0 HB VAL A 75 -13.079 3.802 -2.366 1.00 34.02 H new ATOM 0 HG11 VAL A 75 -11.965 1.824 -3.310 1.00 32.51 H new ATOM 0 HG12 VAL A 75 -13.259 1.375 -2.174 1.00 32.51 H new ATOM 0 HG13 VAL A 75 -13.529 1.242 -3.928 1.00 32.51 H new ATOM 0 HG21 VAL A 75 -12.133 3.902 -4.636 1.00 74.42 H new ATOM 0 HG22 VAL A 75 -13.705 3.407 -5.309 1.00 74.42 H new ATOM 0 HG23 VAL A 75 -13.550 4.965 -4.463 1.00 74.42 H new ATOM 1210 N THR A 76 -15.405 1.538 -1.280 1.00 5.12 N ATOM 1211 CA THR A 76 -15.674 0.998 0.047 1.00 2.10 C ATOM 1212 C THR A 76 -14.752 -0.175 0.360 1.00 44.42 C ATOM 1213 O THR A 76 -14.821 -1.222 -0.284 1.00 41.13 O ATOM 1214 CB THR A 76 -17.137 0.535 0.179 1.00 2.02 C ATOM 1215 OG1 THR A 76 -18.019 1.557 -0.299 1.00 65.23 O ATOM 1216 CG2 THR A 76 -17.472 0.207 1.626 1.00 25.13 C ATOM 0 H THR A 76 -15.244 0.832 -1.998 1.00 5.12 H new ATOM 0 HA THR A 76 -15.489 1.802 0.759 1.00 2.10 H new ATOM 0 HB THR A 76 -17.265 -0.366 -0.421 1.00 2.02 H new ATOM 0 HG1 THR A 76 -18.947 1.254 -0.213 1.00 65.23 H new ATOM 0 HG21 THR A 76 -18.510 -0.118 1.695 1.00 25.13 H new ATOM 0 HG22 THR A 76 -16.818 -0.591 1.979 1.00 25.13 H new ATOM 0 HG23 THR A 76 -17.328 1.094 2.243 1.00 25.13 H new ATOM 1224 N LEU A 77 -13.889 0.006 1.354 1.00 43.22 N ATOM 1225 CA LEU A 77 -12.951 -1.039 1.753 1.00 12.14 C ATOM 1226 C LEU A 77 -13.665 -2.143 2.526 1.00 60.32 C ATOM 1227 O LEU A 77 -14.426 -1.873 3.456 1.00 43.34 O ATOM 1228 CB LEU A 77 -11.829 -0.445 2.607 1.00 31.55 C ATOM 1229 CG LEU A 77 -11.322 0.933 2.185 1.00 4.01 C ATOM 1230 CD1 LEU A 77 -10.225 1.409 3.125 1.00 42.24 C ATOM 1231 CD2 LEU A 77 -10.820 0.900 0.750 1.00 45.14 C ATOM 0 H LEU A 77 -13.819 0.866 1.898 1.00 43.22 H new ATOM 0 HA LEU A 77 -12.521 -1.473 0.850 1.00 12.14 H new ATOM 0 HB2 LEU A 77 -12.179 -0.381 3.637 1.00 31.55 H new ATOM 0 HB3 LEU A 77 -10.988 -1.138 2.598 1.00 31.55 H new ATOM 0 HG LEU A 77 -12.152 1.637 2.242 1.00 4.01 H new ATOM 0 HD11 LEU A 77 -9.876 2.392 2.809 1.00 42.24 H new ATOM 0 HD12 LEU A 77 -10.618 1.472 4.140 1.00 42.24 H new ATOM 0 HD13 LEU A 77 -9.394 0.704 3.101 1.00 42.24 H new ATOM 0 HD21 LEU A 77 -10.463 1.890 0.467 1.00 45.14 H new ATOM 0 HD22 LEU A 77 -10.004 0.182 0.666 1.00 45.14 H new ATOM 0 HD23 LEU A 77 -11.633 0.604 0.087 1.00 45.14 H new ATOM 1243 N SER A 78 -13.412 -3.389 2.137 1.00 71.31 N ATOM 1244 CA SER A 78 -14.032 -4.535 2.793 1.00 42.41 C ATOM 1245 C SER A 78 -13.390 -4.796 4.152 1.00 71.12 C ATOM 1246 O SER A 78 -12.468 -4.090 4.561 1.00 53.24 O ATOM 1247 CB SER A 78 -13.911 -5.780 1.912 1.00 54.24 C ATOM 1248 OG SER A 78 -15.033 -5.909 1.054 1.00 22.24 O ATOM 0 H SER A 78 -12.783 -3.631 1.372 1.00 71.31 H new ATOM 0 HA SER A 78 -15.087 -4.308 2.947 1.00 42.41 H new ATOM 0 HB2 SER A 78 -12.999 -5.721 1.317 1.00 54.24 H new ATOM 0 HB3 SER A 78 -13.826 -6.667 2.540 1.00 54.24 H new ATOM 0 HG SER A 78 -14.931 -6.711 0.500 1.00 22.24 H new ATOM 1254 N ASP A 79 -13.885 -5.814 4.847 1.00 2.11 N ATOM 1255 CA ASP A 79 -13.360 -6.170 6.159 1.00 22.13 C ATOM 1256 C ASP A 79 -11.843 -6.324 6.115 1.00 4.11 C ATOM 1257 O ASP A 79 -11.113 -5.565 6.754 1.00 14.23 O ATOM 1258 CB ASP A 79 -14.002 -7.468 6.654 1.00 5.34 C ATOM 1259 CG ASP A 79 -13.956 -7.598 8.164 1.00 1.22 C ATOM 1260 OD1 ASP A 79 -14.075 -6.562 8.852 1.00 72.25 O ATOM 1261 OD2 ASP A 79 -13.801 -8.734 8.658 1.00 41.22 O ATOM 0 H ASP A 79 -14.649 -6.407 4.523 1.00 2.11 H new ATOM 0 HA ASP A 79 -13.605 -5.365 6.851 1.00 22.13 H new ATOM 0 HB2 ASP A 79 -15.039 -7.507 6.320 1.00 5.34 H new ATOM 0 HB3 ASP A 79 -13.490 -8.318 6.203 1.00 5.34 H new ATOM 1266 N TYR A 80 -11.375 -7.310 5.359 1.00 3.34 N ATOM 1267 CA TYR A 80 -9.945 -7.565 5.234 1.00 41.23 C ATOM 1268 C TYR A 80 -9.199 -6.299 4.822 1.00 34.42 C ATOM 1269 O TYR A 80 -8.094 -6.036 5.295 1.00 60.54 O ATOM 1270 CB TYR A 80 -9.690 -8.675 4.213 1.00 71.01 C ATOM 1271 CG TYR A 80 -10.174 -8.339 2.820 1.00 15.55 C ATOM 1272 CD1 TYR A 80 -11.507 -8.511 2.465 1.00 25.32 C ATOM 1273 CD2 TYR A 80 -9.298 -7.846 1.860 1.00 74.51 C ATOM 1274 CE1 TYR A 80 -11.952 -8.206 1.193 1.00 23.14 C ATOM 1275 CE2 TYR A 80 -9.736 -7.538 0.586 1.00 10.31 C ATOM 1276 CZ TYR A 80 -11.063 -7.720 0.258 1.00 10.34 C ATOM 1277 OH TYR A 80 -11.504 -7.413 -1.009 1.00 20.33 O ATOM 0 H TYR A 80 -11.965 -7.946 4.823 1.00 3.34 H new ATOM 0 HA TYR A 80 -9.573 -7.884 6.208 1.00 41.23 H new ATOM 0 HB2 TYR A 80 -8.621 -8.885 4.176 1.00 71.01 H new ATOM 0 HB3 TYR A 80 -10.183 -9.587 4.550 1.00 71.01 H new ATOM 0 HD1 TYR A 80 -12.206 -8.889 3.196 1.00 25.32 H new ATOM 0 HD2 TYR A 80 -8.258 -7.701 2.114 1.00 74.51 H new ATOM 0 HE1 TYR A 80 -12.991 -8.348 0.933 1.00 23.14 H new ATOM 0 HE2 TYR A 80 -9.043 -7.157 -0.149 1.00 10.31 H new ATOM 0 HH TYR A 80 -12.442 -7.132 -0.970 1.00 20.33 H new ATOM 1287 N GLN A 81 -9.814 -5.519 3.940 1.00 74.15 N ATOM 1288 CA GLN A 81 -9.210 -4.281 3.463 1.00 42.21 C ATOM 1289 C GLN A 81 -8.954 -3.321 4.619 1.00 11.24 C ATOM 1290 O GLN A 81 -7.806 -3.021 4.949 1.00 60.34 O ATOM 1291 CB GLN A 81 -10.112 -3.615 2.422 1.00 44.11 C ATOM 1292 CG GLN A 81 -10.307 -4.448 1.166 1.00 33.01 C ATOM 1293 CD GLN A 81 -10.693 -3.609 -0.037 1.00 25.25 C ATOM 1294 OE1 GLN A 81 -10.559 -2.385 -0.022 1.00 54.53 O ATOM 1295 NE2 GLN A 81 -11.174 -4.264 -1.087 1.00 2.24 N ATOM 0 H GLN A 81 -10.730 -5.722 3.541 1.00 74.15 H new ATOM 0 HA GLN A 81 -8.255 -4.528 3.000 1.00 42.21 H new ATOM 0 HB2 GLN A 81 -11.085 -3.416 2.871 1.00 44.11 H new ATOM 0 HB3 GLN A 81 -9.685 -2.651 2.146 1.00 44.11 H new ATOM 0 HG2 GLN A 81 -9.386 -4.989 0.947 1.00 33.01 H new ATOM 0 HG3 GLN A 81 -11.080 -5.195 1.346 1.00 33.01 H new ATOM 0 HE21 GLN A 81 -11.268 -5.279 -1.056 1.00 2.24 H new ATOM 0 HE22 GLN A 81 -11.450 -3.752 -1.925 1.00 2.24 H new ATOM 1304 N SER A 82 -10.031 -2.840 5.233 1.00 43.53 N ATOM 1305 CA SER A 82 -9.923 -1.909 6.351 1.00 42.11 C ATOM 1306 C SER A 82 -8.972 -2.447 7.415 1.00 64.14 C ATOM 1307 O SER A 82 -8.231 -1.689 8.043 1.00 71.42 O ATOM 1308 CB SER A 82 -11.301 -1.654 6.964 1.00 60.11 C ATOM 1309 OG SER A 82 -11.286 -0.504 7.791 1.00 12.24 O ATOM 0 H SER A 82 -10.988 -3.080 4.975 1.00 43.53 H new ATOM 0 HA SER A 82 -9.522 -0.969 5.972 1.00 42.11 H new ATOM 0 HB2 SER A 82 -12.037 -1.526 6.171 1.00 60.11 H new ATOM 0 HB3 SER A 82 -11.609 -2.522 7.548 1.00 60.11 H new ATOM 0 HG SER A 82 -12.179 -0.362 8.170 1.00 12.24 H new ATOM 1315 N LYS A 83 -8.996 -3.760 7.612 1.00 33.23 N ATOM 1316 CA LYS A 83 -8.136 -4.403 8.599 1.00 1.42 C ATOM 1317 C LYS A 83 -6.668 -4.281 8.204 1.00 75.12 C ATOM 1318 O LYS A 83 -5.843 -3.801 8.980 1.00 24.33 O ATOM 1319 CB LYS A 83 -8.513 -5.878 8.751 1.00 13.03 C ATOM 1320 CG LYS A 83 -9.660 -6.117 9.718 1.00 14.44 C ATOM 1321 CD LYS A 83 -10.012 -7.591 9.814 1.00 12.13 C ATOM 1322 CE LYS A 83 -10.389 -7.983 11.235 1.00 71.24 C ATOM 1323 NZ LYS A 83 -9.192 -8.327 12.051 1.00 72.04 N ATOM 0 H LYS A 83 -9.602 -4.401 7.101 1.00 33.23 H new ATOM 0 HA LYS A 83 -8.280 -3.897 9.554 1.00 1.42 H new ATOM 0 HB2 LYS A 83 -8.784 -6.278 7.774 1.00 13.03 H new ATOM 0 HB3 LYS A 83 -7.640 -6.434 9.092 1.00 13.03 H new ATOM 0 HG2 LYS A 83 -9.389 -5.742 10.705 1.00 14.44 H new ATOM 0 HG3 LYS A 83 -10.535 -5.554 9.392 1.00 14.44 H new ATOM 0 HD2 LYS A 83 -10.841 -7.813 9.142 1.00 12.13 H new ATOM 0 HD3 LYS A 83 -9.164 -8.191 9.483 1.00 12.13 H new ATOM 0 HE2 LYS A 83 -10.927 -7.161 11.708 1.00 71.24 H new ATOM 0 HE3 LYS A 83 -11.068 -8.835 11.209 1.00 71.24 H new ATOM 0 HZ1 LYS A 83 -9.491 -8.589 13.012 1.00 72.04 H new ATOM 0 HZ2 LYS A 83 -8.692 -9.127 11.614 1.00 72.04 H new ATOM 0 HZ3 LYS A 83 -8.556 -7.506 12.098 1.00 72.04 H new ATOM 1337 N LYS A 84 -6.349 -4.716 6.990 1.00 55.12 N ATOM 1338 CA LYS A 84 -4.982 -4.654 6.488 1.00 51.52 C ATOM 1339 C LYS A 84 -4.472 -3.216 6.476 1.00 53.35 C ATOM 1340 O LYS A 84 -3.265 -2.975 6.442 1.00 12.20 O ATOM 1341 CB LYS A 84 -4.905 -5.245 5.078 1.00 35.13 C ATOM 1342 CG LYS A 84 -5.088 -4.215 3.976 1.00 31.42 C ATOM 1343 CD LYS A 84 -3.752 -3.691 3.477 1.00 50.34 C ATOM 1344 CE LYS A 84 -3.894 -2.313 2.850 1.00 53.11 C ATOM 1345 NZ LYS A 84 -3.095 -2.188 1.599 1.00 72.23 N ATOM 0 H LYS A 84 -7.020 -5.116 6.334 1.00 55.12 H new ATOM 0 HA LYS A 84 -4.350 -5.241 7.155 1.00 51.52 H new ATOM 0 HB2 LYS A 84 -3.939 -5.734 4.950 1.00 35.13 H new ATOM 0 HB3 LYS A 84 -5.669 -6.016 4.974 1.00 35.13 H new ATOM 0 HG2 LYS A 84 -5.638 -4.661 3.147 1.00 31.42 H new ATOM 0 HG3 LYS A 84 -5.690 -3.386 4.348 1.00 31.42 H new ATOM 0 HD2 LYS A 84 -3.046 -3.644 4.306 1.00 50.34 H new ATOM 0 HD3 LYS A 84 -3.338 -4.384 2.745 1.00 50.34 H new ATOM 0 HE2 LYS A 84 -4.944 -2.120 2.631 1.00 53.11 H new ATOM 0 HE3 LYS A 84 -3.573 -1.554 3.564 1.00 53.11 H new ATOM 0 HZ1 LYS A 84 -3.494 -1.432 1.007 1.00 72.23 H new ATOM 0 HZ2 LYS A 84 -2.109 -1.957 1.838 1.00 72.23 H new ATOM 0 HZ3 LYS A 84 -3.123 -3.087 1.078 1.00 72.23 H new ATOM 1359 N LEU A 85 -5.399 -2.265 6.504 1.00 2.32 N ATOM 1360 CA LEU A 85 -5.043 -0.849 6.498 1.00 31.11 C ATOM 1361 C LEU A 85 -4.318 -0.465 7.784 1.00 13.51 C ATOM 1362 O LEU A 85 -3.427 0.384 7.777 1.00 30.23 O ATOM 1363 CB LEU A 85 -6.297 0.011 6.329 1.00 42.11 C ATOM 1364 CG LEU A 85 -6.177 1.189 5.361 1.00 65.42 C ATOM 1365 CD1 LEU A 85 -6.747 0.821 4.000 1.00 53.51 C ATOM 1366 CD2 LEU A 85 -6.880 2.415 5.923 1.00 35.44 C ATOM 0 H LEU A 85 -6.402 -2.448 6.531 1.00 2.32 H new ATOM 0 HA LEU A 85 -4.372 -0.671 5.658 1.00 31.11 H new ATOM 0 HB2 LEU A 85 -7.110 -0.631 5.990 1.00 42.11 H new ATOM 0 HB3 LEU A 85 -6.583 0.398 7.307 1.00 42.11 H new ATOM 0 HG LEU A 85 -5.121 1.427 5.237 1.00 65.42 H new ATOM 0 HD11 LEU A 85 -6.653 1.671 3.324 1.00 53.51 H new ATOM 0 HD12 LEU A 85 -6.198 -0.028 3.593 1.00 53.51 H new ATOM 0 HD13 LEU A 85 -7.799 0.556 4.106 1.00 53.51 H new ATOM 0 HD21 LEU A 85 -6.784 3.243 5.221 1.00 35.44 H new ATOM 0 HD22 LEU A 85 -7.935 2.190 6.077 1.00 35.44 H new ATOM 0 HD23 LEU A 85 -6.425 2.691 6.874 1.00 35.44 H new ATOM 1378 N LYS A 86 -4.706 -1.096 8.887 1.00 31.34 N ATOM 1379 CA LYS A 86 -4.092 -0.824 10.181 1.00 5.32 C ATOM 1380 C LYS A 86 -2.674 -1.382 10.238 1.00 23.12 C ATOM 1381 O LYS A 86 -1.933 -1.123 11.187 1.00 42.44 O ATOM 1382 CB LYS A 86 -4.936 -1.426 11.306 1.00 3.04 C ATOM 1383 CG LYS A 86 -4.699 -2.912 11.515 1.00 73.13 C ATOM 1384 CD LYS A 86 -5.986 -3.637 11.868 1.00 35.53 C ATOM 1385 CE LYS A 86 -6.391 -3.384 13.312 1.00 14.31 C ATOM 1386 NZ LYS A 86 -5.551 -4.159 14.267 1.00 15.21 N ATOM 0 H LYS A 86 -5.444 -1.800 8.910 1.00 31.34 H new ATOM 0 HA LYS A 86 -4.043 0.257 10.312 1.00 5.32 H new ATOM 0 HB2 LYS A 86 -4.719 -0.898 12.234 1.00 3.04 H new ATOM 0 HB3 LYS A 86 -5.991 -1.262 11.085 1.00 3.04 H new ATOM 0 HG2 LYS A 86 -4.273 -3.344 10.610 1.00 73.13 H new ATOM 0 HG3 LYS A 86 -3.969 -3.057 12.311 1.00 73.13 H new ATOM 0 HD2 LYS A 86 -6.784 -3.308 11.202 1.00 35.53 H new ATOM 0 HD3 LYS A 86 -5.858 -4.707 11.707 1.00 35.53 H new ATOM 0 HE2 LYS A 86 -6.304 -2.320 13.533 1.00 14.31 H new ATOM 0 HE3 LYS A 86 -7.438 -3.653 13.448 1.00 14.31 H new ATOM 0 HZ1 LYS A 86 -5.932 -4.053 15.229 1.00 15.21 H new ATOM 0 HZ2 LYS A 86 -5.559 -5.164 14.000 1.00 15.21 H new ATOM 0 HZ3 LYS A 86 -4.575 -3.802 14.240 1.00 15.21 H new ATOM 1400 N GLU A 87 -2.303 -2.150 9.218 1.00 2.15 N ATOM 1401 CA GLU A 87 -0.973 -2.745 9.155 1.00 11.41 C ATOM 1402 C GLU A 87 0.106 -1.665 9.152 1.00 34.34 C ATOM 1403 O GLU A 87 0.739 -1.402 10.175 1.00 11.04 O ATOM 1404 CB GLU A 87 -0.840 -3.618 7.905 1.00 15.25 C ATOM 1405 CG GLU A 87 -1.709 -4.864 7.937 1.00 21.22 C ATOM 1406 CD GLU A 87 -0.989 -6.061 8.526 1.00 71.32 C ATOM 1407 OE1 GLU A 87 -0.341 -6.801 7.755 1.00 3.21 O ATOM 1408 OE2 GLU A 87 -1.074 -6.261 9.756 1.00 4.42 O ATOM 0 H GLU A 87 -2.904 -2.374 8.425 1.00 2.15 H new ATOM 0 HA GLU A 87 -0.838 -3.367 10.040 1.00 11.41 H new ATOM 0 HB2 GLU A 87 -1.102 -3.025 7.029 1.00 15.25 H new ATOM 0 HB3 GLU A 87 0.202 -3.915 7.789 1.00 15.25 H new ATOM 0 HG2 GLU A 87 -2.607 -4.661 8.521 1.00 21.22 H new ATOM 0 HG3 GLU A 87 -2.034 -5.102 6.924 1.00 21.22 H new ATOM 1415 N LEU A 88 0.310 -1.046 7.995 1.00 2.31 N ATOM 1416 CA LEU A 88 1.313 0.006 7.858 1.00 64.42 C ATOM 1417 C LEU A 88 0.955 1.216 8.714 1.00 61.12 C ATOM 1418 O LEU A 88 1.750 2.144 8.861 1.00 23.15 O ATOM 1419 CB LEU A 88 1.443 0.424 6.392 1.00 43.32 C ATOM 1420 CG LEU A 88 0.136 0.546 5.609 1.00 34.33 C ATOM 1421 CD1 LEU A 88 -0.289 -0.810 5.066 1.00 13.40 C ATOM 1422 CD2 LEU A 88 -0.958 1.136 6.488 1.00 52.03 C ATOM 0 H LEU A 88 -0.204 -1.253 7.139 1.00 2.31 H new ATOM 0 HA LEU A 88 2.268 -0.389 8.204 1.00 64.42 H new ATOM 0 HB2 LEU A 88 1.957 1.384 6.353 1.00 43.32 H new ATOM 0 HB3 LEU A 88 2.081 -0.299 5.884 1.00 43.32 H new ATOM 0 HG LEU A 88 0.300 1.217 4.766 1.00 34.33 H new ATOM 0 HD11 LEU A 88 -1.221 -0.704 4.511 1.00 13.40 H new ATOM 0 HD12 LEU A 88 0.486 -1.196 4.403 1.00 13.40 H new ATOM 0 HD13 LEU A 88 -0.436 -1.504 5.894 1.00 13.40 H new ATOM 0 HD21 LEU A 88 -1.882 1.216 5.915 1.00 52.03 H new ATOM 0 HD22 LEU A 88 -1.121 0.489 7.350 1.00 52.03 H new ATOM 0 HD23 LEU A 88 -0.656 2.126 6.829 1.00 52.03 H new ATOM 1434 N THR A 89 -0.248 1.199 9.280 1.00 33.45 N ATOM 1435 CA THR A 89 -0.712 2.294 10.123 1.00 62.32 C ATOM 1436 C THR A 89 0.119 2.396 11.397 1.00 2.01 C ATOM 1437 O THR A 89 0.474 3.492 11.831 1.00 13.35 O ATOM 1438 CB THR A 89 -2.195 2.121 10.503 1.00 24.22 C ATOM 1439 OG1 THR A 89 -3.023 2.346 9.358 1.00 54.02 O ATOM 1440 CG2 THR A 89 -2.585 3.084 11.614 1.00 64.54 C ATOM 0 H THR A 89 -0.919 0.439 9.170 1.00 33.45 H new ATOM 0 HA THR A 89 -0.598 3.210 9.543 1.00 62.32 H new ATOM 0 HB THR A 89 -2.339 1.101 10.861 1.00 24.22 H new ATOM 0 HG1 THR A 89 -2.802 1.694 8.661 1.00 54.02 H new ATOM 0 HG21 THR A 89 -3.636 2.943 11.865 1.00 64.54 H new ATOM 0 HG22 THR A 89 -1.972 2.891 12.495 1.00 64.54 H new ATOM 0 HG23 THR A 89 -2.426 4.109 11.279 1.00 64.54 H new ATOM 1448 N SER A 90 0.426 1.248 11.991 1.00 21.53 N ATOM 1449 CA SER A 90 1.213 1.210 13.218 1.00 21.25 C ATOM 1450 C SER A 90 2.689 1.464 12.926 1.00 54.20 C ATOM 1451 O SER A 90 3.365 2.180 13.666 1.00 72.15 O ATOM 1452 CB SER A 90 1.046 -0.143 13.915 1.00 42.32 C ATOM 1453 OG SER A 90 2.052 -0.341 14.893 1.00 14.43 O ATOM 0 H SER A 90 0.142 0.332 11.643 1.00 21.53 H new ATOM 0 HA SER A 90 0.850 1.999 13.877 1.00 21.25 H new ATOM 0 HB2 SER A 90 0.063 -0.195 14.384 1.00 42.32 H new ATOM 0 HB3 SER A 90 1.090 -0.944 13.177 1.00 42.32 H new ATOM 0 HG SER A 90 1.922 -1.211 15.324 1.00 14.43 H new ATOM 1459 N ILE A 91 3.181 0.872 11.843 1.00 55.22 N ATOM 1460 CA ILE A 91 4.575 1.036 11.451 1.00 63.45 C ATOM 1461 C ILE A 91 4.863 2.472 11.029 1.00 44.23 C ATOM 1462 O ILE A 91 5.844 3.073 11.465 1.00 43.22 O ATOM 1463 CB ILE A 91 4.950 0.087 10.296 1.00 11.32 C ATOM 1464 CG1 ILE A 91 4.570 -1.353 10.646 1.00 2.52 C ATOM 1465 CG2 ILE A 91 6.437 0.189 9.989 1.00 41.14 C ATOM 1466 CD1 ILE A 91 4.760 -2.323 9.501 1.00 40.30 C ATOM 0 H ILE A 91 2.635 0.275 11.222 1.00 55.22 H new ATOM 0 HA ILE A 91 5.179 0.789 12.324 1.00 63.45 H new ATOM 0 HB ILE A 91 4.394 0.383 9.407 1.00 11.32 H new ATOM 0 HG12 ILE A 91 5.170 -1.683 11.494 1.00 2.52 H new ATOM 0 HG13 ILE A 91 3.528 -1.378 10.964 1.00 2.52 H new ATOM 0 HG21 ILE A 91 6.687 -0.487 9.171 1.00 41.14 H new ATOM 0 HG22 ILE A 91 6.680 1.212 9.701 1.00 41.14 H new ATOM 0 HG23 ILE A 91 7.011 -0.085 10.874 1.00 41.14 H new ATOM 0 HD11 ILE A 91 4.471 -3.324 9.821 1.00 40.30 H new ATOM 0 HD12 ILE A 91 4.139 -2.018 8.659 1.00 40.30 H new ATOM 0 HD13 ILE A 91 5.807 -2.327 9.197 1.00 40.30 H new ATOM 1478 N SER A 92 4.000 3.017 10.177 1.00 23.13 N ATOM 1479 CA SER A 92 4.163 4.384 9.693 1.00 22.32 C ATOM 1480 C SER A 92 3.837 5.391 10.792 1.00 75.22 C ATOM 1481 O SER A 92 2.899 5.201 11.565 1.00 11.01 O ATOM 1482 CB SER A 92 3.265 4.627 8.479 1.00 14.21 C ATOM 1483 OG SER A 92 3.474 5.922 7.942 1.00 31.11 O ATOM 0 H SER A 92 3.181 2.534 9.808 1.00 23.13 H new ATOM 0 HA SER A 92 5.204 4.518 9.398 1.00 22.32 H new ATOM 0 HB2 SER A 92 3.469 3.876 7.716 1.00 14.21 H new ATOM 0 HB3 SER A 92 2.220 4.513 8.767 1.00 14.21 H new ATOM 0 HG SER A 92 2.890 6.053 7.166 1.00 31.11 H new