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 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 160:sc= -0.0793 (180deg=-0.677) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 15 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0434 K(o=-0.043,f=-0.62) USER MOD Single : A 22 THR OG1 : rot 82:sc= 0.754 USER MOD Single : A 36 SER OG : rot -12:sc= 0.675 USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.0358 (180deg=-0.484) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -0.0436 (180deg=-0.484) USER MOD Single : A 43 ASN : amide:sc= -0.05 K(o=-0.05,f=-1.2) USER MOD Single : A 44 TYR OH : rot -179:sc= 1.24 USER MOD Single : A 49 LYS NZ :NH3+ -126:sc= -0.18 (180deg=-0.75) USER MOD Single : A 50 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.23) 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 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.684 K(o=-0.68,f=-1.2) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc=-0.00219 (180deg=-0.0735) USER MOD Single : A 72 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.022) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 170:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -2.74! C(o=-2.7!,f=-5!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 0.277 (180deg=0.255) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 104:sc= 1.2 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -17:sc= 0.6 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 9.897 -5.005 8.766 1.00 63.44 N ATOM 195 CA ARG A 13 8.715 -4.152 8.750 1.00 3.14 C ATOM 196 C ARG A 13 8.610 -3.391 7.433 1.00 41.54 C ATOM 197 O ARG A 13 7.513 -3.114 6.949 1.00 14.12 O ATOM 198 CB ARG A 13 8.757 -3.166 9.919 1.00 12.44 C ATOM 199 CG ARG A 13 8.914 -3.834 11.276 1.00 52.13 C ATOM 200 CD ARG A 13 7.604 -4.444 11.751 1.00 50.34 C ATOM 201 NE ARG A 13 7.789 -5.289 12.927 1.00 72.51 N ATOM 202 CZ ARG A 13 7.923 -4.814 14.160 1.00 22.40 C ATOM 203 NH1 ARG A 13 7.893 -3.507 14.376 1.00 3.24 N ATOM 204 NH2 ARG A 13 8.088 -5.647 15.180 1.00 61.01 N ATOM 0 HA ARG A 13 7.837 -4.789 8.851 1.00 3.14 H new ATOM 0 HB2 ARG A 13 9.584 -2.472 9.768 1.00 12.44 H new ATOM 0 HB3 ARG A 13 7.841 -2.576 9.918 1.00 12.44 H new ATOM 0 HG2 ARG A 13 9.677 -4.610 11.215 1.00 52.13 H new ATOM 0 HG3 ARG A 13 9.261 -3.102 12.005 1.00 52.13 H new ATOM 0 HD2 ARG A 13 6.897 -3.648 11.984 1.00 50.34 H new ATOM 0 HD3 ARG A 13 7.166 -5.034 10.946 1.00 50.34 H new ATOM 0 HE ARG A 13 7.817 -6.300 12.794 1.00 72.51 H new ATOM 0 HH11 ARG A 13 7.767 -2.864 13.595 1.00 3.24 H new ATOM 0 HH12 ARG A 13 7.996 -3.144 15.324 1.00 3.24 H new ATOM 0 HH21 ARG A 13 8.112 -6.654 15.018 1.00 61.01 H new ATOM 0 HH22 ARG A 13 8.191 -5.280 16.126 1.00 61.01 H new ATOM 218 N SER A 14 9.760 -3.055 6.857 1.00 40.13 N ATOM 219 CA SER A 14 9.799 -2.322 5.597 1.00 54.21 C ATOM 220 C SER A 14 9.286 -3.187 4.449 1.00 24.11 C ATOM 221 O SER A 14 8.396 -2.783 3.702 1.00 3.41 O ATOM 222 CB SER A 14 11.224 -1.852 5.298 1.00 63.10 C ATOM 223 OG SER A 14 12.180 -2.738 5.856 1.00 22.13 O ATOM 0 H SER A 14 10.677 -3.279 7.243 1.00 40.13 H new ATOM 0 HA SER A 14 9.150 -1.452 5.692 1.00 54.21 H new ATOM 0 HB2 SER A 14 11.370 -1.786 4.220 1.00 63.10 H new ATOM 0 HB3 SER A 14 11.372 -0.850 5.702 1.00 63.10 H new ATOM 0 HG SER A 14 13.083 -2.417 5.650 1.00 22.13 H new ATOM 229 N ASN A 15 9.855 -4.381 4.316 1.00 55.11 N ATOM 230 CA ASN A 15 9.456 -5.304 3.260 1.00 41.40 C ATOM 231 C ASN A 15 8.050 -5.842 3.509 1.00 62.33 C ATOM 232 O ASN A 15 7.371 -6.284 2.583 1.00 42.52 O ATOM 233 CB ASN A 15 10.449 -6.464 3.166 1.00 43.12 C ATOM 234 CG ASN A 15 9.897 -7.635 2.377 1.00 70.22 C ATOM 235 OD1 ASN A 15 9.725 -7.553 1.161 1.00 15.13 O ATOM 236 ND2 ASN A 15 9.616 -8.735 3.067 1.00 40.51 N ATOM 0 H ASN A 15 10.593 -4.732 4.926 1.00 55.11 H new ATOM 0 HA ASN A 15 9.455 -4.758 2.317 1.00 41.40 H new ATOM 0 HB2 ASN A 15 11.369 -6.114 2.697 1.00 43.12 H new ATOM 0 HB3 ASN A 15 10.710 -6.797 4.170 1.00 43.12 H new ATOM 0 HD21 ASN A 15 9.242 -9.555 2.589 1.00 40.51 H new ATOM 0 HD22 ASN A 15 9.774 -8.759 4.074 1.00 40.51 H new ATOM 243 N GLN A 16 7.621 -5.801 4.766 1.00 30.13 N ATOM 244 CA GLN A 16 6.297 -6.284 5.137 1.00 34.31 C ATOM 245 C GLN A 16 5.209 -5.523 4.387 1.00 53.33 C ATOM 246 O GLN A 16 4.342 -6.123 3.752 1.00 42.22 O ATOM 247 CB GLN A 16 6.084 -6.145 6.645 1.00 30.23 C ATOM 248 CG GLN A 16 4.652 -6.404 7.084 1.00 21.41 C ATOM 249 CD GLN A 16 4.571 -7.149 8.402 1.00 14.01 C ATOM 250 OE1 GLN A 16 5.147 -6.725 9.405 1.00 73.13 O ATOM 251 NE2 GLN A 16 3.853 -8.267 8.408 1.00 42.02 N ATOM 0 H GLN A 16 8.171 -5.438 5.545 1.00 30.13 H new ATOM 0 HA GLN A 16 6.233 -7.337 4.863 1.00 34.31 H new ATOM 0 HB2 GLN A 16 6.745 -6.840 7.162 1.00 30.23 H new ATOM 0 HB3 GLN A 16 6.374 -5.140 6.953 1.00 30.23 H new ATOM 0 HG2 GLN A 16 4.127 -5.453 7.176 1.00 21.41 H new ATOM 0 HG3 GLN A 16 4.138 -6.979 6.314 1.00 21.41 H new ATOM 0 HE21 GLN A 16 3.392 -8.582 7.554 1.00 42.02 H new ATOM 0 HE22 GLN A 16 3.762 -8.810 9.266 1.00 42.02 H new ATOM 260 N ALA A 17 5.262 -4.197 4.463 1.00 52.13 N ATOM 261 CA ALA A 17 4.282 -3.353 3.789 1.00 63.41 C ATOM 262 C ALA A 17 4.148 -3.736 2.319 1.00 11.24 C ATOM 263 O ALA A 17 3.039 -3.855 1.798 1.00 31.24 O ATOM 264 CB ALA A 17 4.668 -1.888 3.921 1.00 1.34 C ATOM 0 H ALA A 17 5.973 -3.684 4.984 1.00 52.13 H new ATOM 0 HA ALA A 17 3.315 -3.507 4.268 1.00 63.41 H new ATOM 0 HB1 ALA A 17 3.928 -1.270 3.413 1.00 1.34 H new ATOM 0 HB2 ALA A 17 4.707 -1.616 4.976 1.00 1.34 H new ATOM 0 HB3 ALA A 17 5.647 -1.727 3.469 1.00 1.34 H new ATOM 270 N GLU A 18 5.283 -3.926 1.655 1.00 51.15 N ATOM 271 CA GLU A 18 5.290 -4.294 0.244 1.00 55.41 C ATOM 272 C GLU A 18 4.459 -5.551 0.005 1.00 21.01 C ATOM 273 O GLU A 18 3.622 -5.593 -0.896 1.00 43.24 O ATOM 274 CB GLU A 18 6.724 -4.517 -0.241 1.00 61.14 C ATOM 275 CG GLU A 18 6.827 -4.792 -1.732 1.00 72.30 C ATOM 276 CD GLU A 18 8.152 -5.420 -2.119 1.00 62.32 C ATOM 277 OE1 GLU A 18 9.182 -5.050 -1.519 1.00 22.45 O ATOM 278 OE2 GLU A 18 8.158 -6.281 -3.024 1.00 33.42 O ATOM 0 H GLU A 18 6.209 -3.831 2.071 1.00 51.15 H new ATOM 0 HA GLU A 18 4.847 -3.474 -0.321 1.00 55.41 H new ATOM 0 HB2 GLU A 18 7.321 -3.637 -0.000 1.00 61.14 H new ATOM 0 HB3 GLU A 18 7.157 -5.355 0.305 1.00 61.14 H new ATOM 0 HG2 GLU A 18 6.014 -5.453 -2.033 1.00 72.30 H new ATOM 0 HG3 GLU A 18 6.698 -3.858 -2.280 1.00 72.30 H new ATOM 285 N ASN A 19 4.697 -6.574 0.819 1.00 64.12 N ATOM 286 CA ASN A 19 3.973 -7.834 0.697 1.00 11.55 C ATOM 287 C ASN A 19 2.486 -7.635 0.973 1.00 1.23 C ATOM 288 O ASN A 19 1.636 -8.236 0.316 1.00 55.24 O ATOM 289 CB ASN A 19 4.548 -8.873 1.661 1.00 31.32 C ATOM 290 CG ASN A 19 3.627 -10.065 1.843 1.00 22.11 C ATOM 291 OD1 ASN A 19 3.023 -10.548 0.885 1.00 10.24 O ATOM 292 ND2 ASN A 19 3.518 -10.545 3.076 1.00 15.32 N ATOM 0 H ASN A 19 5.386 -6.555 1.571 1.00 64.12 H new ATOM 0 HA ASN A 19 4.090 -8.194 -0.325 1.00 11.55 H new ATOM 0 HB2 ASN A 19 5.513 -9.216 1.288 1.00 31.32 H new ATOM 0 HB3 ASN A 19 4.729 -8.406 2.629 1.00 31.32 H new ATOM 0 HD21 ASN A 19 2.914 -11.346 3.260 1.00 15.32 H new ATOM 0 HD22 ASN A 19 4.038 -10.112 3.840 1.00 15.32 H new ATOM 299 N ILE A 20 2.179 -6.788 1.950 1.00 2.44 N ATOM 300 CA ILE A 20 0.795 -6.508 2.311 1.00 25.13 C ATOM 301 C ILE A 20 0.022 -5.936 1.128 1.00 3.55 C ATOM 302 O ILE A 20 -1.002 -6.483 0.721 1.00 34.41 O ATOM 303 CB ILE A 20 0.710 -5.521 3.492 1.00 73.23 C ATOM 304 CG1 ILE A 20 1.360 -6.126 4.738 1.00 40.42 C ATOM 305 CG2 ILE A 20 -0.740 -5.151 3.769 1.00 64.53 C ATOM 306 CD1 ILE A 20 1.803 -5.092 5.749 1.00 34.12 C ATOM 0 H ILE A 20 2.870 -6.284 2.506 1.00 2.44 H new ATOM 0 HA ILE A 20 0.348 -7.457 2.608 1.00 25.13 H new ATOM 0 HB ILE A 20 1.252 -4.613 3.228 1.00 73.23 H new ATOM 0 HG12 ILE A 20 0.654 -6.807 5.212 1.00 40.42 H new ATOM 0 HG13 ILE A 20 2.222 -6.720 4.436 1.00 40.42 H new ATOM 0 HG21 ILE A 20 -0.784 -4.454 4.605 1.00 64.53 H new ATOM 0 HG22 ILE A 20 -1.172 -4.684 2.884 1.00 64.53 H new ATOM 0 HG23 ILE A 20 -1.304 -6.050 4.016 1.00 64.53 H new ATOM 0 HD11 ILE A 20 2.255 -5.591 6.606 1.00 34.12 H new ATOM 0 HD12 ILE A 20 2.534 -4.425 5.291 1.00 34.12 H new ATOM 0 HD13 ILE A 20 0.940 -4.513 6.079 1.00 34.12 H new ATOM 318 N ILE A 21 0.522 -4.834 0.580 1.00 12.42 N ATOM 319 CA ILE A 21 -0.121 -4.189 -0.559 1.00 41.31 C ATOM 320 C ILE A 21 -0.402 -5.193 -1.672 1.00 72.31 C ATOM 321 O ILE A 21 -1.466 -5.169 -2.291 1.00 12.13 O ATOM 322 CB ILE A 21 0.746 -3.046 -1.121 1.00 35.32 C ATOM 323 CG1 ILE A 21 0.985 -1.983 -0.047 1.00 22.20 C ATOM 324 CG2 ILE A 21 0.082 -2.430 -2.344 1.00 33.43 C ATOM 325 CD1 ILE A 21 1.960 -0.907 -0.468 1.00 64.14 C ATOM 0 H ILE A 21 1.370 -4.369 0.906 1.00 12.42 H new ATOM 0 HA ILE A 21 -1.063 -3.776 -0.198 1.00 41.31 H new ATOM 0 HB ILE A 21 1.710 -3.455 -1.422 1.00 35.32 H new ATOM 0 HG12 ILE A 21 0.033 -1.519 0.211 1.00 22.20 H new ATOM 0 HG13 ILE A 21 1.358 -2.467 0.855 1.00 22.20 H new ATOM 0 HG21 ILE A 21 0.706 -1.624 -2.730 1.00 33.43 H new ATOM 0 HG22 ILE A 21 -0.043 -3.192 -3.113 1.00 33.43 H new ATOM 0 HG23 ILE A 21 -0.894 -2.032 -2.066 1.00 33.43 H new ATOM 0 HD11 ILE A 21 2.081 -0.188 0.342 1.00 64.14 H new ATOM 0 HD12 ILE A 21 2.924 -1.360 -0.698 1.00 64.14 H new ATOM 0 HD13 ILE A 21 1.579 -0.396 -1.352 1.00 64.14 H new ATOM 337 N THR A 22 0.559 -6.077 -1.921 1.00 22.31 N ATOM 338 CA THR A 22 0.416 -7.090 -2.959 1.00 25.25 C ATOM 339 C THR A 22 -0.840 -7.926 -2.740 1.00 21.52 C ATOM 340 O THR A 22 -1.443 -8.419 -3.693 1.00 55.24 O ATOM 341 CB THR A 22 1.640 -8.025 -3.004 1.00 11.03 C ATOM 342 OG1 THR A 22 2.843 -7.263 -2.859 1.00 2.34 O ATOM 343 CG2 THR A 22 1.679 -8.800 -4.312 1.00 23.40 C ATOM 0 H THR A 22 1.445 -6.112 -1.417 1.00 22.31 H new ATOM 0 HA THR A 22 0.337 -6.561 -3.909 1.00 25.25 H new ATOM 0 HB THR A 22 1.559 -8.735 -2.181 1.00 11.03 H new ATOM 0 HG1 THR A 22 3.004 -7.083 -1.909 1.00 2.34 H new ATOM 0 HG21 THR A 22 2.551 -9.454 -4.322 1.00 23.40 H new ATOM 0 HG22 THR A 22 0.774 -9.401 -4.406 1.00 23.40 H new ATOM 0 HG23 THR A 22 1.739 -8.102 -5.147 1.00 23.40 H new ATOM 351 N ASP A 23 -1.229 -8.082 -1.479 1.00 72.55 N ATOM 352 CA ASP A 23 -2.415 -8.859 -1.136 1.00 31.31 C ATOM 353 C ASP A 23 -3.665 -8.250 -1.767 1.00 45.20 C ATOM 354 O ASP A 23 -4.304 -8.865 -2.621 1.00 22.32 O ATOM 355 CB ASP A 23 -2.580 -8.933 0.383 1.00 54.44 C ATOM 356 CG ASP A 23 -3.567 -10.003 0.806 1.00 12.13 C ATOM 357 OD1 ASP A 23 -4.684 -10.034 0.247 1.00 22.31 O ATOM 358 OD2 ASP A 23 -3.224 -10.809 1.697 1.00 41.23 O ATOM 0 H ASP A 23 -0.741 -7.681 -0.678 1.00 72.55 H new ATOM 0 HA ASP A 23 -2.285 -9.867 -1.529 1.00 31.31 H new ATOM 0 HB2 ASP A 23 -1.612 -9.134 0.841 1.00 54.44 H new ATOM 0 HB3 ASP A 23 -2.915 -7.965 0.757 1.00 54.44 H new ATOM 363 N LEU A 24 -4.005 -7.040 -1.340 1.00 55.30 N ATOM 364 CA LEU A 24 -5.179 -6.347 -1.862 1.00 32.22 C ATOM 365 C LEU A 24 -5.193 -6.374 -3.387 1.00 34.53 C ATOM 366 O LEU A 24 -6.214 -6.684 -4.003 1.00 15.02 O ATOM 367 CB LEU A 24 -5.204 -4.900 -1.366 1.00 12.20 C ATOM 368 CG LEU A 24 -5.290 -4.711 0.148 1.00 11.14 C ATOM 369 CD1 LEU A 24 -5.463 -3.240 0.494 1.00 51.42 C ATOM 370 CD2 LEU A 24 -6.433 -5.533 0.724 1.00 32.42 C ATOM 0 H LEU A 24 -3.486 -6.518 -0.634 1.00 55.30 H new ATOM 0 HA LEU A 24 -6.067 -6.864 -1.499 1.00 32.22 H new ATOM 0 HB2 LEU A 24 -4.305 -4.399 -1.724 1.00 12.20 H new ATOM 0 HB3 LEU A 24 -6.054 -4.395 -1.824 1.00 12.20 H new ATOM 0 HG LEU A 24 -4.358 -5.060 0.591 1.00 11.14 H new ATOM 0 HD11 LEU A 24 -5.522 -3.125 1.576 1.00 51.42 H new ATOM 0 HD12 LEU A 24 -4.612 -2.675 0.115 1.00 51.42 H new ATOM 0 HD13 LEU A 24 -6.379 -2.864 0.039 1.00 51.42 H new ATOM 0 HD21 LEU A 24 -6.479 -5.386 1.803 1.00 32.42 H new ATOM 0 HD22 LEU A 24 -7.373 -5.214 0.274 1.00 32.42 H new ATOM 0 HD23 LEU A 24 -6.267 -6.588 0.508 1.00 32.42 H new ATOM 382 N LEU A 25 -4.055 -6.052 -3.991 1.00 13.04 N ATOM 383 CA LEU A 25 -3.936 -6.041 -5.445 1.00 11.24 C ATOM 384 C LEU A 25 -4.333 -7.391 -6.033 1.00 14.24 C ATOM 385 O LEU A 25 -4.938 -7.459 -7.104 1.00 41.20 O ATOM 386 CB LEU A 25 -2.504 -5.694 -5.855 1.00 73.14 C ATOM 387 CG LEU A 25 -2.006 -4.308 -5.445 1.00 43.15 C ATOM 388 CD1 LEU A 25 -0.668 -4.006 -6.104 1.00 44.41 C ATOM 389 CD2 LEU A 25 -3.031 -3.243 -5.805 1.00 72.23 C ATOM 0 H LEU A 25 -3.201 -5.795 -3.496 1.00 13.04 H new ATOM 0 HA LEU A 25 -4.614 -5.282 -5.836 1.00 11.24 H new ATOM 0 HB2 LEU A 25 -1.834 -6.440 -5.427 1.00 73.14 H new ATOM 0 HB3 LEU A 25 -2.427 -5.780 -6.939 1.00 73.14 H new ATOM 0 HG LEU A 25 -1.867 -4.299 -4.364 1.00 43.15 H new ATOM 0 HD11 LEU A 25 -0.329 -3.016 -5.801 1.00 44.41 H new ATOM 0 HD12 LEU A 25 0.066 -4.751 -5.796 1.00 44.41 H new ATOM 0 HD13 LEU A 25 -0.781 -4.035 -7.188 1.00 44.41 H new ATOM 0 HD21 LEU A 25 -2.658 -2.263 -5.505 1.00 72.23 H new ATOM 0 HD22 LEU A 25 -3.203 -3.252 -6.881 1.00 72.23 H new ATOM 0 HD23 LEU A 25 -3.967 -3.449 -5.287 1.00 72.23 H new ATOM 401 N ASP A 26 -3.993 -8.462 -5.325 1.00 53.23 N ATOM 402 CA ASP A 26 -4.317 -9.811 -5.776 1.00 62.12 C ATOM 403 C ASP A 26 -5.827 -10.004 -5.870 1.00 2.00 C ATOM 404 O ASP A 26 -6.366 -10.240 -6.951 1.00 32.45 O ATOM 405 CB ASP A 26 -3.715 -10.848 -4.825 1.00 15.22 C ATOM 406 CG ASP A 26 -3.686 -12.238 -5.428 1.00 42.14 C ATOM 407 OD1 ASP A 26 -3.362 -12.357 -6.628 1.00 51.55 O ATOM 408 OD2 ASP A 26 -3.987 -13.207 -4.701 1.00 24.22 O ATOM 0 H ASP A 26 -3.493 -8.423 -4.437 1.00 53.23 H new ATOM 0 HA ASP A 26 -3.889 -9.949 -6.769 1.00 62.12 H new ATOM 0 HB2 ASP A 26 -2.701 -10.549 -4.560 1.00 15.22 H new ATOM 0 HB3 ASP A 26 -4.293 -10.868 -3.901 1.00 15.22 H new ATOM 413 N ASP A 27 -6.504 -9.904 -4.730 1.00 42.53 N ATOM 414 CA ASP A 27 -7.951 -10.067 -4.684 1.00 34.53 C ATOM 415 C ASP A 27 -8.645 -9.025 -5.557 1.00 70.15 C ATOM 416 O ASP A 27 -9.734 -9.264 -6.080 1.00 72.20 O ATOM 417 CB ASP A 27 -8.452 -9.957 -3.243 1.00 74.13 C ATOM 418 CG ASP A 27 -8.033 -11.140 -2.393 1.00 23.41 C ATOM 419 OD1 ASP A 27 -7.726 -12.205 -2.967 1.00 55.30 O ATOM 420 OD2 ASP A 27 -8.011 -11.000 -1.152 1.00 65.32 O ATOM 0 H ASP A 27 -6.072 -9.711 -3.826 1.00 42.53 H new ATOM 0 HA ASP A 27 -8.192 -11.057 -5.071 1.00 34.53 H new ATOM 0 HB2 ASP A 27 -8.069 -9.039 -2.797 1.00 74.13 H new ATOM 0 HB3 ASP A 27 -9.539 -9.881 -3.244 1.00 74.13 H new ATOM 425 N LEU A 28 -8.006 -7.871 -5.711 1.00 63.21 N ATOM 426 CA LEU A 28 -8.561 -6.791 -6.521 1.00 21.20 C ATOM 427 C LEU A 28 -8.546 -7.158 -8.001 1.00 44.40 C ATOM 428 O LEU A 28 -9.288 -6.589 -8.801 1.00 1.52 O ATOM 429 CB LEU A 28 -7.773 -5.501 -6.294 1.00 53.21 C ATOM 430 CG LEU A 28 -8.304 -4.573 -5.201 1.00 45.33 C ATOM 431 CD1 LEU A 28 -7.288 -3.487 -4.883 1.00 3.12 C ATOM 432 CD2 LEU A 28 -9.631 -3.958 -5.622 1.00 2.34 C ATOM 0 H LEU A 28 -7.103 -7.658 -5.286 1.00 63.21 H new ATOM 0 HA LEU A 28 -9.596 -6.635 -6.216 1.00 21.20 H new ATOM 0 HB2 LEU A 28 -6.744 -5.766 -6.050 1.00 53.21 H new ATOM 0 HB3 LEU A 28 -7.745 -4.946 -7.232 1.00 53.21 H new ATOM 0 HG LEU A 28 -8.469 -5.162 -4.299 1.00 45.33 H new ATOM 0 HD11 LEU A 28 -7.683 -2.836 -4.103 1.00 3.12 H new ATOM 0 HD12 LEU A 28 -6.361 -3.946 -4.538 1.00 3.12 H new ATOM 0 HD13 LEU A 28 -7.090 -2.900 -5.780 1.00 3.12 H new ATOM 0 HD21 LEU A 28 -9.994 -3.300 -4.832 1.00 2.34 H new ATOM 0 HD22 LEU A 28 -9.491 -3.383 -6.537 1.00 2.34 H new ATOM 0 HD23 LEU A 28 -10.359 -4.750 -5.798 1.00 2.34 H new ATOM 552 N SER A 36 -8.722 2.355 -11.934 1.00 64.41 N ATOM 553 CA SER A 36 -7.631 3.311 -11.783 1.00 64.21 C ATOM 554 C SER A 36 -7.221 3.441 -10.319 1.00 63.24 C ATOM 555 O SER A 36 -6.213 4.071 -9.998 1.00 13.32 O ATOM 556 CB SER A 36 -8.043 4.678 -12.333 1.00 34.44 C ATOM 557 OG SER A 36 -9.454 4.818 -12.346 1.00 44.14 O ATOM 0 HA SER A 36 -6.776 2.942 -12.350 1.00 64.21 H new ATOM 0 HB2 SER A 36 -7.602 5.467 -11.724 1.00 34.44 H new ATOM 0 HB3 SER A 36 -7.653 4.800 -13.343 1.00 34.44 H new ATOM 0 HG SER A 36 -9.871 3.947 -12.180 1.00 44.14 H new ATOM 563 N LEU A 37 -8.010 2.840 -9.435 1.00 42.43 N ATOM 564 CA LEU A 37 -7.730 2.888 -8.004 1.00 75.41 C ATOM 565 C LEU A 37 -6.459 2.113 -7.672 1.00 1.21 C ATOM 566 O LEU A 37 -5.503 2.671 -7.132 1.00 13.23 O ATOM 567 CB LEU A 37 -8.910 2.317 -7.215 1.00 71.30 C ATOM 568 CG LEU A 37 -9.034 2.780 -5.764 1.00 25.32 C ATOM 569 CD1 LEU A 37 -7.823 2.335 -4.957 1.00 31.52 C ATOM 570 CD2 LEU A 37 -9.195 4.292 -5.697 1.00 42.34 C ATOM 0 H LEU A 37 -8.848 2.314 -9.684 1.00 42.43 H new ATOM 0 HA LEU A 37 -7.582 3.930 -7.722 1.00 75.41 H new ATOM 0 HB2 LEU A 37 -9.830 2.577 -7.738 1.00 71.30 H new ATOM 0 HB3 LEU A 37 -8.834 1.230 -7.223 1.00 71.30 H new ATOM 0 HG LEU A 37 -9.923 2.321 -5.331 1.00 25.32 H new ATOM 0 HD11 LEU A 37 -7.928 2.673 -3.926 1.00 31.52 H new ATOM 0 HD12 LEU A 37 -7.752 1.247 -4.976 1.00 31.52 H new ATOM 0 HD13 LEU A 37 -6.920 2.765 -5.389 1.00 31.52 H new ATOM 0 HD21 LEU A 37 -9.282 4.603 -4.656 1.00 42.34 H new ATOM 0 HD22 LEU A 37 -8.326 4.771 -6.147 1.00 42.34 H new ATOM 0 HD23 LEU A 37 -10.093 4.587 -6.240 1.00 42.34 H new ATOM 582 N LYS A 38 -6.454 0.825 -7.999 1.00 3.34 N ATOM 583 CA LYS A 38 -5.300 -0.026 -7.739 1.00 25.35 C ATOM 584 C LYS A 38 -4.017 0.628 -8.242 1.00 41.41 C ATOM 585 O LYS A 38 -2.929 0.362 -7.731 1.00 32.10 O ATOM 586 CB LYS A 38 -5.485 -1.391 -8.406 1.00 54.30 C ATOM 587 CG LYS A 38 -6.542 -2.255 -7.740 1.00 0.14 C ATOM 588 CD LYS A 38 -7.507 -2.840 -8.756 1.00 43.14 C ATOM 589 CE LYS A 38 -6.892 -4.021 -9.492 1.00 63.33 C ATOM 590 NZ LYS A 38 -6.105 -3.587 -10.679 1.00 1.02 N ATOM 0 H LYS A 38 -7.237 0.348 -8.445 1.00 3.34 H new ATOM 0 HA LYS A 38 -5.218 -0.164 -6.661 1.00 25.35 H new ATOM 0 HB2 LYS A 38 -5.756 -1.242 -9.451 1.00 54.30 H new ATOM 0 HB3 LYS A 38 -4.534 -1.923 -8.396 1.00 54.30 H new ATOM 0 HG2 LYS A 38 -6.059 -3.062 -7.189 1.00 0.14 H new ATOM 0 HG3 LYS A 38 -7.095 -1.660 -7.013 1.00 0.14 H new ATOM 0 HD2 LYS A 38 -8.419 -3.159 -8.252 1.00 43.14 H new ATOM 0 HD3 LYS A 38 -7.792 -2.071 -9.474 1.00 43.14 H new ATOM 0 HE2 LYS A 38 -6.246 -4.576 -8.812 1.00 63.33 H new ATOM 0 HE3 LYS A 38 -7.682 -4.702 -9.809 1.00 63.33 H new ATOM 0 HZ1 LYS A 38 -5.962 -4.397 -11.316 1.00 1.02 H new ATOM 0 HZ2 LYS A 38 -6.621 -2.838 -11.183 1.00 1.02 H new ATOM 0 HZ3 LYS A 38 -5.182 -3.223 -10.369 1.00 1.02 H new ATOM 604 N LYS A 39 -4.151 1.486 -9.249 1.00 34.44 N ATOM 605 CA LYS A 39 -3.004 2.181 -9.820 1.00 63.53 C ATOM 606 C LYS A 39 -2.208 2.902 -8.737 1.00 60.41 C ATOM 607 O LYS A 39 -0.983 2.987 -8.806 1.00 23.13 O ATOM 608 CB LYS A 39 -3.465 3.183 -10.881 1.00 21.31 C ATOM 609 CG LYS A 39 -3.421 4.628 -10.414 1.00 64.14 C ATOM 610 CD LYS A 39 -4.038 5.564 -11.438 1.00 62.12 C ATOM 611 CE LYS A 39 -3.343 5.452 -12.787 1.00 31.40 C ATOM 612 NZ LYS A 39 -4.055 4.518 -13.701 1.00 73.43 N ATOM 0 H LYS A 39 -5.043 1.716 -9.686 1.00 34.44 H new ATOM 0 HA LYS A 39 -2.357 1.438 -10.287 1.00 63.53 H new ATOM 0 HB2 LYS A 39 -2.837 3.077 -11.766 1.00 21.31 H new ATOM 0 HB3 LYS A 39 -4.484 2.938 -11.182 1.00 21.31 H new ATOM 0 HG2 LYS A 39 -3.953 4.722 -9.467 1.00 64.14 H new ATOM 0 HG3 LYS A 39 -2.387 4.920 -10.229 1.00 64.14 H new ATOM 0 HD2 LYS A 39 -5.097 5.332 -11.553 1.00 62.12 H new ATOM 0 HD3 LYS A 39 -3.974 6.591 -11.079 1.00 62.12 H new ATOM 0 HE2 LYS A 39 -3.285 6.438 -13.248 1.00 31.40 H new ATOM 0 HE3 LYS A 39 -2.319 5.107 -12.641 1.00 31.40 H new ATOM 0 HZ1 LYS A 39 -3.364 3.905 -14.178 1.00 73.43 H new ATOM 0 HZ2 LYS A 39 -4.717 3.933 -13.152 1.00 73.43 H new ATOM 0 HZ3 LYS A 39 -4.583 5.063 -14.412 1.00 73.43 H new ATOM 626 N VAL A 40 -2.914 3.418 -7.735 1.00 72.04 N ATOM 627 CA VAL A 40 -2.273 4.129 -6.636 1.00 31.01 C ATOM 628 C VAL A 40 -1.488 3.173 -5.745 1.00 73.34 C ATOM 629 O VAL A 40 -0.440 3.528 -5.207 1.00 1.03 O ATOM 630 CB VAL A 40 -3.307 4.881 -5.776 1.00 64.13 C ATOM 631 CG1 VAL A 40 -4.028 3.919 -4.845 1.00 24.13 C ATOM 632 CG2 VAL A 40 -2.634 5.996 -4.989 1.00 73.52 C ATOM 0 H VAL A 40 -3.930 3.357 -7.662 1.00 72.04 H new ATOM 0 HA VAL A 40 -1.588 4.850 -7.083 1.00 31.01 H new ATOM 0 HB VAL A 40 -4.047 5.330 -6.438 1.00 64.13 H new ATOM 0 HG11 VAL A 40 -4.754 4.468 -4.246 1.00 24.13 H new ATOM 0 HG12 VAL A 40 -4.543 3.160 -5.434 1.00 24.13 H new ATOM 0 HG13 VAL A 40 -3.304 3.438 -4.187 1.00 24.13 H new ATOM 0 HG21 VAL A 40 -3.378 6.517 -4.387 1.00 73.52 H new ATOM 0 HG22 VAL A 40 -1.872 5.571 -4.336 1.00 73.52 H new ATOM 0 HG23 VAL A 40 -2.169 6.699 -5.680 1.00 73.52 H new ATOM 642 N LEU A 41 -2.002 1.957 -5.596 1.00 65.44 N ATOM 643 CA LEU A 41 -1.348 0.945 -4.771 1.00 15.42 C ATOM 644 C LEU A 41 0.015 0.574 -5.345 1.00 63.05 C ATOM 645 O LEU A 41 1.043 0.754 -4.693 1.00 40.31 O ATOM 646 CB LEU A 41 -2.227 -0.301 -4.666 1.00 74.45 C ATOM 647 CG LEU A 41 -3.370 -0.233 -3.652 1.00 14.03 C ATOM 648 CD1 LEU A 41 -2.850 0.196 -2.289 1.00 5.42 C ATOM 649 CD2 LEU A 41 -4.455 0.719 -4.134 1.00 50.25 C ATOM 0 H LEU A 41 -2.869 1.647 -6.035 1.00 65.44 H new ATOM 0 HA LEU A 41 -1.201 1.362 -3.775 1.00 15.42 H new ATOM 0 HB2 LEU A 41 -2.652 -0.505 -5.649 1.00 74.45 H new ATOM 0 HB3 LEU A 41 -1.592 -1.149 -4.411 1.00 74.45 H new ATOM 0 HG LEU A 41 -3.804 -1.228 -3.556 1.00 14.03 H new ATOM 0 HD11 LEU A 41 -3.678 0.239 -1.581 1.00 5.42 H new ATOM 0 HD12 LEU A 41 -2.110 -0.523 -1.939 1.00 5.42 H new ATOM 0 HD13 LEU A 41 -2.390 1.181 -2.369 1.00 5.42 H new ATOM 0 HD21 LEU A 41 -5.260 0.755 -3.400 1.00 50.25 H new ATOM 0 HD22 LEU A 41 -4.034 1.717 -4.260 1.00 50.25 H new ATOM 0 HD23 LEU A 41 -4.849 0.369 -5.088 1.00 50.25 H new ATOM 661 N GLU A 42 0.015 0.055 -6.569 1.00 64.12 N ATOM 662 CA GLU A 42 1.253 -0.342 -7.229 1.00 72.23 C ATOM 663 C GLU A 42 2.271 0.795 -7.206 1.00 14.32 C ATOM 664 O GLU A 42 3.453 0.579 -6.944 1.00 2.12 O ATOM 665 CB GLU A 42 0.974 -0.761 -8.675 1.00 21.14 C ATOM 666 CG GLU A 42 0.091 -1.992 -8.791 1.00 62.13 C ATOM 667 CD GLU A 42 0.095 -2.582 -10.188 1.00 52.14 C ATOM 668 OE1 GLU A 42 0.615 -1.921 -11.111 1.00 65.43 O ATOM 669 OE2 GLU A 42 -0.424 -3.706 -10.358 1.00 2.44 O ATOM 0 H GLU A 42 -0.827 -0.100 -7.123 1.00 64.12 H new ATOM 0 HA GLU A 42 1.669 -1.190 -6.685 1.00 72.23 H new ATOM 0 HB2 GLU A 42 0.499 0.068 -9.200 1.00 21.14 H new ATOM 0 HB3 GLU A 42 1.922 -0.955 -9.178 1.00 21.14 H new ATOM 0 HG2 GLU A 42 0.430 -2.746 -8.081 1.00 62.13 H new ATOM 0 HG3 GLU A 42 -0.930 -1.730 -8.514 1.00 62.13 H new ATOM 676 N ASN A 43 1.801 2.007 -7.483 1.00 15.04 N ATOM 677 CA ASN A 43 2.670 3.179 -7.494 1.00 75.31 C ATOM 678 C ASN A 43 3.476 3.271 -6.203 1.00 22.51 C ATOM 679 O ASN A 43 4.675 2.990 -6.186 1.00 4.44 O ATOM 680 CB ASN A 43 1.840 4.452 -7.683 1.00 45.03 C ATOM 681 CG ASN A 43 1.554 4.744 -9.143 1.00 71.53 C ATOM 682 OD1 ASN A 43 1.770 3.898 -10.010 1.00 73.55 O ATOM 683 ND2 ASN A 43 1.065 5.947 -9.420 1.00 74.53 N ATOM 0 H ASN A 43 0.824 2.203 -7.703 1.00 15.04 H new ATOM 0 HA ASN A 43 3.365 3.078 -8.328 1.00 75.31 H new ATOM 0 HB2 ASN A 43 0.898 4.352 -7.144 1.00 45.03 H new ATOM 0 HB3 ASN A 43 2.370 5.297 -7.243 1.00 45.03 H new ATOM 0 HD21 ASN A 43 0.852 6.201 -10.385 1.00 74.53 H new ATOM 0 HD22 ASN A 43 0.902 6.617 -8.668 1.00 74.53 H new ATOM 690 N TYR A 44 2.811 3.665 -5.123 1.00 33.15 N ATOM 691 CA TYR A 44 3.466 3.796 -3.827 1.00 34.31 C ATOM 692 C TYR A 44 4.166 2.497 -3.437 1.00 3.24 C ATOM 693 O TYR A 44 5.222 2.514 -2.802 1.00 24.33 O ATOM 694 CB TYR A 44 2.447 4.181 -2.753 1.00 53.23 C ATOM 695 CG TYR A 44 1.948 5.603 -2.874 1.00 33.41 C ATOM 696 CD1 TYR A 44 2.779 6.678 -2.586 1.00 54.31 C ATOM 697 CD2 TYR A 44 0.645 5.870 -3.275 1.00 12.23 C ATOM 698 CE1 TYR A 44 2.326 7.979 -2.695 1.00 40.12 C ATOM 699 CE2 TYR A 44 0.184 7.168 -3.388 1.00 4.32 C ATOM 700 CZ TYR A 44 1.029 8.219 -3.097 1.00 40.40 C ATOM 701 OH TYR A 44 0.574 9.514 -3.207 1.00 62.55 O ATOM 0 H TYR A 44 1.818 3.899 -5.119 1.00 33.15 H new ATOM 0 HA TYR A 44 4.216 4.583 -3.905 1.00 34.31 H new ATOM 0 HB2 TYR A 44 1.597 3.501 -2.810 1.00 53.23 H new ATOM 0 HB3 TYR A 44 2.899 4.046 -1.770 1.00 53.23 H new ATOM 0 HD1 TYR A 44 3.796 6.494 -2.272 1.00 54.31 H new ATOM 0 HD2 TYR A 44 -0.019 5.049 -3.502 1.00 12.23 H new ATOM 0 HE1 TYR A 44 2.985 8.804 -2.466 1.00 40.12 H new ATOM 0 HE2 TYR A 44 -0.832 7.358 -3.702 1.00 4.32 H new ATOM 0 HH TYR A 44 -0.365 9.508 -3.487 1.00 62.55 H new ATOM 711 N LEU A 45 3.572 1.374 -3.822 1.00 31.21 N ATOM 712 CA LEU A 45 4.138 0.065 -3.514 1.00 60.02 C ATOM 713 C LEU A 45 5.562 -0.051 -4.046 1.00 41.15 C ATOM 714 O LEU A 45 6.436 -0.617 -3.389 1.00 51.33 O ATOM 715 CB LEU A 45 3.267 -1.042 -4.112 1.00 33.32 C ATOM 716 CG LEU A 45 3.899 -2.433 -4.175 1.00 13.44 C ATOM 717 CD1 LEU A 45 4.287 -2.906 -2.783 1.00 21.14 C ATOM 718 CD2 LEU A 45 2.946 -3.422 -4.830 1.00 41.03 C ATOM 0 H LEU A 45 2.699 1.343 -4.348 1.00 31.21 H new ATOM 0 HA LEU A 45 4.164 -0.046 -2.430 1.00 60.02 H new ATOM 0 HB2 LEU A 45 2.348 -1.108 -3.529 1.00 33.32 H new ATOM 0 HB3 LEU A 45 2.983 -0.748 -5.122 1.00 33.32 H new ATOM 0 HG LEU A 45 4.803 -2.374 -4.781 1.00 13.44 H new ATOM 0 HD11 LEU A 45 4.735 -3.898 -2.847 1.00 21.14 H new ATOM 0 HD12 LEU A 45 5.006 -2.210 -2.350 1.00 21.14 H new ATOM 0 HD13 LEU A 45 3.399 -2.950 -2.153 1.00 21.14 H new ATOM 0 HD21 LEU A 45 3.412 -4.407 -4.867 1.00 41.03 H new ATOM 0 HD22 LEU A 45 2.025 -3.478 -4.250 1.00 41.03 H new ATOM 0 HD23 LEU A 45 2.718 -3.091 -5.843 1.00 41.03 H new ATOM 730 N GLU A 46 5.790 0.491 -5.239 1.00 33.31 N ATOM 731 CA GLU A 46 7.110 0.448 -5.857 1.00 32.15 C ATOM 732 C GLU A 46 8.101 1.310 -5.081 1.00 41.42 C ATOM 733 O GLU A 46 9.291 1.002 -5.020 1.00 24.35 O ATOM 734 CB GLU A 46 7.032 0.923 -7.310 1.00 12.10 C ATOM 735 CG GLU A 46 8.320 0.713 -8.088 1.00 70.43 C ATOM 736 CD GLU A 46 9.173 1.965 -8.154 1.00 53.10 C ATOM 737 OE1 GLU A 46 8.919 2.899 -7.365 1.00 75.05 O ATOM 738 OE2 GLU A 46 10.095 2.010 -8.996 1.00 23.15 O ATOM 0 H GLU A 46 5.078 0.964 -5.796 1.00 33.31 H new ATOM 0 HA GLU A 46 7.460 -0.584 -5.838 1.00 32.15 H new ATOM 0 HB2 GLU A 46 6.223 0.394 -7.814 1.00 12.10 H new ATOM 0 HB3 GLU A 46 6.777 1.983 -7.324 1.00 12.10 H new ATOM 0 HG2 GLU A 46 8.894 -0.089 -7.624 1.00 70.43 H new ATOM 0 HG3 GLU A 46 8.080 0.388 -9.100 1.00 70.43 H new ATOM 745 N GLU A 47 7.602 2.392 -4.492 1.00 10.31 N ATOM 746 CA GLU A 47 8.445 3.300 -3.721 1.00 70.42 C ATOM 747 C GLU A 47 9.183 2.550 -2.617 1.00 3.34 C ATOM 748 O GLU A 47 10.378 2.756 -2.402 1.00 3.13 O ATOM 749 CB GLU A 47 7.601 4.423 -3.115 1.00 42.21 C ATOM 750 CG GLU A 47 6.786 5.193 -4.141 1.00 3.15 C ATOM 751 CD GLU A 47 7.598 6.256 -4.854 1.00 45.25 C ATOM 752 OE1 GLU A 47 8.295 5.914 -5.833 1.00 25.13 O ATOM 753 OE2 GLU A 47 7.538 7.430 -4.434 1.00 21.45 O ATOM 0 H GLU A 47 6.619 2.662 -4.534 1.00 10.31 H new ATOM 0 HA GLU A 47 9.182 3.734 -4.397 1.00 70.42 H new ATOM 0 HB2 GLU A 47 6.926 3.998 -2.372 1.00 42.21 H new ATOM 0 HB3 GLU A 47 8.258 5.117 -2.590 1.00 42.21 H new ATOM 0 HG2 GLU A 47 6.382 4.496 -4.876 1.00 3.15 H new ATOM 0 HG3 GLU A 47 5.936 5.662 -3.646 1.00 3.15 H new ATOM 760 N LEU A 48 8.463 1.680 -1.916 1.00 54.32 N ATOM 761 CA LEU A 48 9.048 0.899 -0.832 1.00 62.02 C ATOM 762 C LEU A 48 10.316 0.188 -1.296 1.00 31.42 C ATOM 763 O LEU A 48 11.237 -0.036 -0.511 1.00 60.03 O ATOM 764 CB LEU A 48 8.037 -0.124 -0.311 1.00 12.32 C ATOM 765 CG LEU A 48 6.820 0.446 0.417 1.00 15.01 C ATOM 766 CD1 LEU A 48 5.533 -0.089 -0.195 1.00 22.03 C ATOM 767 CD2 LEU A 48 6.883 0.119 1.901 1.00 62.22 C ATOM 0 H LEU A 48 7.473 1.498 -2.079 1.00 54.32 H new ATOM 0 HA LEU A 48 9.312 1.583 -0.025 1.00 62.02 H new ATOM 0 HB2 LEU A 48 7.685 -0.719 -1.154 1.00 12.32 H new ATOM 0 HB3 LEU A 48 8.554 -0.804 0.366 1.00 12.32 H new ATOM 0 HG LEU A 48 6.829 1.530 0.305 1.00 15.01 H new ATOM 0 HD11 LEU A 48 4.677 0.327 0.336 1.00 22.03 H new ATOM 0 HD12 LEU A 48 5.483 0.198 -1.245 1.00 22.03 H new ATOM 0 HD13 LEU A 48 5.516 -1.176 -0.114 1.00 22.03 H new ATOM 0 HD21 LEU A 48 6.008 0.533 2.402 1.00 62.22 H new ATOM 0 HD22 LEU A 48 6.900 -0.963 2.035 1.00 62.22 H new ATOM 0 HD23 LEU A 48 7.786 0.552 2.331 1.00 62.22 H new ATOM 779 N LYS A 49 10.355 -0.163 -2.576 1.00 43.44 N ATOM 780 CA LYS A 49 11.511 -0.845 -3.148 1.00 24.20 C ATOM 781 C LYS A 49 12.590 0.154 -3.550 1.00 12.52 C ATOM 782 O LYS A 49 13.782 -0.139 -3.471 1.00 60.32 O ATOM 783 CB LYS A 49 11.090 -1.674 -4.362 1.00 62.35 C ATOM 784 CG LYS A 49 10.211 -2.863 -4.013 1.00 24.34 C ATOM 785 CD LYS A 49 8.738 -2.494 -4.037 1.00 13.33 C ATOM 786 CE LYS A 49 8.046 -3.040 -5.277 1.00 42.24 C ATOM 787 NZ LYS A 49 8.132 -4.525 -5.351 1.00 33.02 N ATOM 0 H LYS A 49 9.599 0.013 -3.238 1.00 43.44 H new ATOM 0 HA LYS A 49 11.922 -1.509 -2.387 1.00 24.20 H new ATOM 0 HB2 LYS A 49 10.556 -1.032 -5.062 1.00 62.35 H new ATOM 0 HB3 LYS A 49 11.983 -2.031 -4.875 1.00 62.35 H new ATOM 0 HG2 LYS A 49 10.396 -3.673 -4.719 1.00 24.34 H new ATOM 0 HG3 LYS A 49 10.477 -3.236 -3.024 1.00 24.34 H new ATOM 0 HD2 LYS A 49 8.249 -2.885 -3.145 1.00 13.33 H new ATOM 0 HD3 LYS A 49 8.633 -1.409 -4.008 1.00 13.33 H new ATOM 0 HE2 LYS A 49 6.999 -2.737 -5.272 1.00 42.24 H new ATOM 0 HE3 LYS A 49 8.500 -2.605 -6.167 1.00 42.24 H new ATOM 0 HZ1 LYS A 49 8.536 -4.804 -6.268 1.00 33.02 H new ATOM 0 HZ2 LYS A 49 8.740 -4.876 -4.584 1.00 33.02 H new ATOM 0 HZ3 LYS A 49 7.180 -4.933 -5.253 1.00 33.02 H new ATOM 801 N GLN A 50 12.163 1.337 -3.981 1.00 14.23 N ATOM 802 CA GLN A 50 13.093 2.380 -4.396 1.00 0.35 C ATOM 803 C GLN A 50 13.697 3.084 -3.184 1.00 52.14 C ATOM 804 O GLN A 50 13.198 2.956 -2.066 1.00 12.43 O ATOM 805 CB GLN A 50 12.384 3.399 -5.290 1.00 40.32 C ATOM 806 CG GLN A 50 11.778 2.789 -6.544 1.00 11.44 C ATOM 807 CD GLN A 50 12.753 1.904 -7.293 1.00 21.03 C ATOM 808 OE1 GLN A 50 13.882 2.306 -7.579 1.00 13.12 O ATOM 809 NE2 GLN A 50 12.323 0.689 -7.615 1.00 12.40 N ATOM 0 H GLN A 50 11.179 1.597 -4.052 1.00 14.23 H new ATOM 0 HA GLN A 50 13.898 1.910 -4.960 1.00 0.35 H new ATOM 0 HB2 GLN A 50 11.596 3.888 -4.716 1.00 40.32 H new ATOM 0 HB3 GLN A 50 13.095 4.173 -5.579 1.00 40.32 H new ATOM 0 HG2 GLN A 50 10.899 2.205 -6.271 1.00 11.44 H new ATOM 0 HG3 GLN A 50 11.438 3.587 -7.204 1.00 11.44 H new ATOM 0 HE21 GLN A 50 11.380 0.397 -7.358 1.00 12.40 H new ATOM 0 HE22 GLN A 50 12.936 0.048 -8.119 1.00 12.40 H new ATOM 818 N LYS A 51 14.775 3.825 -3.414 1.00 2.30 N ATOM 819 CA LYS A 51 15.449 4.550 -2.343 1.00 24.34 C ATOM 820 C LYS A 51 15.153 6.044 -2.426 1.00 23.12 C ATOM 821 O LYS A 51 15.770 6.848 -1.728 1.00 13.24 O ATOM 822 CB LYS A 51 16.960 4.314 -2.409 1.00 72.54 C ATOM 823 CG LYS A 51 17.614 4.910 -3.644 1.00 52.13 C ATOM 824 CD LYS A 51 18.811 4.088 -4.093 1.00 13.35 C ATOM 825 CE LYS A 51 19.336 4.559 -5.439 1.00 43.40 C ATOM 826 NZ LYS A 51 20.037 3.470 -6.173 1.00 53.04 N ATOM 0 H LYS A 51 15.201 3.940 -4.333 1.00 2.30 H new ATOM 0 HA LYS A 51 15.071 4.175 -1.392 1.00 24.34 H new ATOM 0 HB2 LYS A 51 17.425 4.740 -1.520 1.00 72.54 H new ATOM 0 HB3 LYS A 51 17.153 3.242 -2.387 1.00 72.54 H new ATOM 0 HG2 LYS A 51 16.885 4.964 -4.452 1.00 52.13 H new ATOM 0 HG3 LYS A 51 17.932 5.931 -3.432 1.00 52.13 H new ATOM 0 HD2 LYS A 51 19.603 4.159 -3.347 1.00 13.35 H new ATOM 0 HD3 LYS A 51 18.528 3.037 -4.159 1.00 13.35 H new ATOM 0 HE2 LYS A 51 18.507 4.929 -6.043 1.00 43.40 H new ATOM 0 HE3 LYS A 51 20.020 5.395 -5.290 1.00 43.40 H new ATOM 0 HZ1 LYS A 51 20.380 3.832 -7.086 1.00 53.04 H new ATOM 0 HZ2 LYS A 51 20.843 3.134 -5.609 1.00 53.04 H new ATOM 0 HZ3 LYS A 51 19.378 2.683 -6.338 1.00 53.04 H new ATOM 840 N SER A 52 14.204 6.407 -3.283 1.00 62.05 N ATOM 841 CA SER A 52 13.828 7.805 -3.460 1.00 43.20 C ATOM 842 C SER A 52 12.790 8.223 -2.423 1.00 40.14 C ATOM 843 O SER A 52 12.285 9.345 -2.454 1.00 22.45 O ATOM 844 CB SER A 52 13.279 8.033 -4.870 1.00 45.51 C ATOM 845 OG SER A 52 14.268 7.770 -5.850 1.00 60.14 O ATOM 0 H SER A 52 13.682 5.753 -3.866 1.00 62.05 H new ATOM 0 HA SER A 52 14.720 8.416 -3.323 1.00 43.20 H new ATOM 0 HB2 SER A 52 12.416 7.388 -5.037 1.00 45.51 H new ATOM 0 HB3 SER A 52 12.931 9.061 -4.967 1.00 45.51 H new ATOM 0 HG SER A 52 13.892 7.921 -6.742 1.00 60.14 H new ATOM 851 N ALA A 53 12.476 7.312 -1.508 1.00 53.10 N ATOM 852 CA ALA A 53 11.499 7.585 -0.461 1.00 41.33 C ATOM 853 C ALA A 53 11.590 6.552 0.657 1.00 2.32 C ATOM 854 O ALA A 53 11.773 5.362 0.402 1.00 1.31 O ATOM 855 CB ALA A 53 10.094 7.612 -1.045 1.00 42.40 C ATOM 0 H ALA A 53 12.884 6.378 -1.471 1.00 53.10 H new ATOM 0 HA ALA A 53 11.722 8.563 -0.035 1.00 41.33 H new ATOM 0 HB1 ALA A 53 9.374 7.817 -0.252 1.00 42.40 H new ATOM 0 HB2 ALA A 53 10.030 8.392 -1.804 1.00 42.40 H new ATOM 0 HB3 ALA A 53 9.870 6.646 -1.498 1.00 42.40 H new ATOM 861 N SER A 54 11.462 7.016 1.896 1.00 32.21 N ATOM 862 CA SER A 54 11.534 6.133 3.054 1.00 73.43 C ATOM 863 C SER A 54 10.251 5.320 3.197 1.00 73.44 C ATOM 864 O SER A 54 9.180 5.744 2.762 1.00 50.12 O ATOM 865 CB SER A 54 11.780 6.945 4.327 1.00 72.01 C ATOM 866 OG SER A 54 12.646 6.255 5.211 1.00 3.44 O ATOM 0 H SER A 54 11.308 7.998 2.124 1.00 32.21 H new ATOM 0 HA SER A 54 12.366 5.445 2.904 1.00 73.43 H new ATOM 0 HB2 SER A 54 12.213 7.911 4.068 1.00 72.01 H new ATOM 0 HB3 SER A 54 10.831 7.144 4.824 1.00 72.01 H new ATOM 0 HG SER A 54 12.789 6.795 6.016 1.00 3.44 H new ATOM 872 N VAL A 55 10.367 4.146 3.811 1.00 4.12 N ATOM 873 CA VAL A 55 9.218 3.272 4.013 1.00 23.52 C ATOM 874 C VAL A 55 8.063 4.024 4.665 1.00 61.30 C ATOM 875 O VAL A 55 6.956 4.094 4.132 1.00 13.14 O ATOM 876 CB VAL A 55 9.584 2.057 4.887 1.00 33.24 C ATOM 877 CG1 VAL A 55 8.379 1.599 5.696 1.00 1.34 C ATOM 878 CG2 VAL A 55 10.120 0.924 4.026 1.00 44.10 C ATOM 0 H VAL A 55 11.245 3.779 4.177 1.00 4.12 H new ATOM 0 HA VAL A 55 8.909 2.922 3.028 1.00 23.52 H new ATOM 0 HB VAL A 55 10.367 2.355 5.584 1.00 33.24 H new ATOM 0 HG11 VAL A 55 8.656 0.740 6.307 1.00 1.34 H new ATOM 0 HG12 VAL A 55 8.044 2.411 6.342 1.00 1.34 H new ATOM 0 HG13 VAL A 55 7.572 1.317 5.019 1.00 1.34 H new ATOM 0 HG21 VAL A 55 10.373 0.074 4.660 1.00 44.10 H new ATOM 0 HG22 VAL A 55 9.360 0.625 3.304 1.00 44.10 H new ATOM 0 HG23 VAL A 55 11.011 1.260 3.496 1.00 44.10 H new ATOM 888 N PRO A 56 8.326 4.601 5.847 1.00 10.14 N ATOM 889 CA PRO A 56 7.321 5.361 6.598 1.00 65.23 C ATOM 890 C PRO A 56 6.967 6.680 5.922 1.00 40.14 C ATOM 891 O PRO A 56 5.965 7.312 6.257 1.00 32.43 O ATOM 892 CB PRO A 56 8.003 5.615 7.946 1.00 54.54 C ATOM 893 CG PRO A 56 9.462 5.564 7.647 1.00 15.43 C ATOM 894 CD PRO A 56 9.624 4.557 6.542 1.00 33.15 C ATOM 0 HA PRO A 56 6.377 4.822 6.678 1.00 65.23 H new ATOM 0 HB2 PRO A 56 7.717 6.582 8.359 1.00 54.54 H new ATOM 0 HB3 PRO A 56 7.723 4.860 8.680 1.00 54.54 H new ATOM 0 HG2 PRO A 56 9.832 6.542 7.340 1.00 15.43 H new ATOM 0 HG3 PRO A 56 10.031 5.270 8.529 1.00 15.43 H new ATOM 0 HD2 PRO A 56 10.446 4.820 5.876 1.00 33.15 H new ATOM 0 HD3 PRO A 56 9.837 3.562 6.933 1.00 33.15 H new ATOM 902 N LEU A 57 7.795 7.092 4.968 1.00 70.35 N ATOM 903 CA LEU A 57 7.568 8.337 4.243 1.00 45.14 C ATOM 904 C LEU A 57 6.560 8.135 3.116 1.00 14.53 C ATOM 905 O LEU A 57 5.796 9.043 2.785 1.00 75.54 O ATOM 906 CB LEU A 57 8.886 8.866 3.675 1.00 43.33 C ATOM 907 CG LEU A 57 9.611 9.911 4.524 1.00 54.51 C ATOM 908 CD1 LEU A 57 8.845 11.226 4.520 1.00 1.13 C ATOM 909 CD2 LEU A 57 9.799 9.406 5.947 1.00 44.35 C ATOM 0 H LEU A 57 8.630 6.582 4.679 1.00 70.35 H new ATOM 0 HA LEU A 57 7.161 9.067 4.942 1.00 45.14 H new ATOM 0 HB2 LEU A 57 9.558 8.021 3.522 1.00 43.33 H new ATOM 0 HB3 LEU A 57 8.689 9.298 2.694 1.00 43.33 H new ATOM 0 HG LEU A 57 10.595 10.085 4.089 1.00 54.51 H new ATOM 0 HD11 LEU A 57 9.375 11.958 5.129 1.00 1.13 H new ATOM 0 HD12 LEU A 57 8.763 11.596 3.498 1.00 1.13 H new ATOM 0 HD13 LEU A 57 7.848 11.067 4.930 1.00 1.13 H new ATOM 0 HD21 LEU A 57 10.317 10.163 6.536 1.00 44.35 H new ATOM 0 HD22 LEU A 57 8.825 9.203 6.392 1.00 44.35 H new ATOM 0 HD23 LEU A 57 10.390 8.490 5.933 1.00 44.35 H new ATOM 921 N ILE A 58 6.563 6.942 2.533 1.00 43.02 N ATOM 922 CA ILE A 58 5.647 6.621 1.445 1.00 3.14 C ATOM 923 C ILE A 58 4.276 6.222 1.981 1.00 22.40 C ATOM 924 O ILE A 58 3.246 6.692 1.496 1.00 41.12 O ATOM 925 CB ILE A 58 6.193 5.481 0.566 1.00 40.12 C ATOM 926 CG1 ILE A 58 7.558 5.862 -0.011 1.00 43.44 C ATOM 927 CG2 ILE A 58 5.212 5.155 -0.549 1.00 54.23 C ATOM 928 CD1 ILE A 58 8.575 4.745 0.051 1.00 21.43 C ATOM 0 H ILE A 58 7.189 6.181 2.795 1.00 43.02 H new ATOM 0 HA ILE A 58 5.550 7.521 0.838 1.00 3.14 H new ATOM 0 HB ILE A 58 6.317 4.592 1.185 1.00 40.12 H new ATOM 0 HG12 ILE A 58 7.431 6.169 -1.049 1.00 43.44 H new ATOM 0 HG13 ILE A 58 7.945 6.725 0.532 1.00 43.44 H new ATOM 0 HG21 ILE A 58 5.613 4.347 -1.161 1.00 54.23 H new ATOM 0 HG22 ILE A 58 4.260 4.845 -0.117 1.00 54.23 H new ATOM 0 HG23 ILE A 58 5.059 6.038 -1.169 1.00 54.23 H new ATOM 0 HD11 ILE A 58 9.518 5.087 -0.375 1.00 21.43 H new ATOM 0 HD12 ILE A 58 8.731 4.452 1.089 1.00 21.43 H new ATOM 0 HD13 ILE A 58 8.210 3.889 -0.516 1.00 21.43 H new ATOM 940 N LEU A 59 4.270 5.353 2.986 1.00 2.13 N ATOM 941 CA LEU A 59 3.026 4.891 3.592 1.00 71.21 C ATOM 942 C LEU A 59 2.146 6.070 3.993 1.00 34.21 C ATOM 943 O LEU A 59 0.919 5.973 3.981 1.00 33.33 O ATOM 944 CB LEU A 59 3.323 4.021 4.814 1.00 54.11 C ATOM 945 CG LEU A 59 4.113 2.739 4.550 1.00 33.11 C ATOM 946 CD1 LEU A 59 4.649 2.164 5.852 1.00 31.24 C ATOM 947 CD2 LEU A 59 3.245 1.717 3.830 1.00 64.14 C ATOM 0 H LEU A 59 5.113 4.954 3.399 1.00 2.13 H new ATOM 0 HA LEU A 59 2.489 4.296 2.853 1.00 71.21 H new ATOM 0 HB2 LEU A 59 3.875 4.622 5.537 1.00 54.11 H new ATOM 0 HB3 LEU A 59 2.376 3.751 5.281 1.00 54.11 H new ATOM 0 HG LEU A 59 4.960 2.982 3.909 1.00 33.11 H new ATOM 0 HD11 LEU A 59 5.208 1.252 5.644 1.00 31.24 H new ATOM 0 HD12 LEU A 59 5.306 2.892 6.328 1.00 31.24 H new ATOM 0 HD13 LEU A 59 3.817 1.935 6.518 1.00 31.24 H new ATOM 0 HD21 LEU A 59 3.823 0.811 3.650 1.00 64.14 H new ATOM 0 HD22 LEU A 59 2.378 1.478 4.446 1.00 64.14 H new ATOM 0 HD23 LEU A 59 2.911 2.129 2.878 1.00 64.14 H new ATOM 959 N SER A 60 2.780 7.182 4.347 1.00 3.43 N ATOM 960 CA SER A 60 2.055 8.380 4.754 1.00 3.05 C ATOM 961 C SER A 60 1.254 8.952 3.589 1.00 32.24 C ATOM 962 O SER A 60 0.072 9.267 3.729 1.00 61.33 O ATOM 963 CB SER A 60 3.028 9.435 5.286 1.00 33.32 C ATOM 964 OG SER A 60 2.411 10.245 6.272 1.00 10.31 O ATOM 0 H SER A 60 3.795 7.279 4.360 1.00 3.43 H new ATOM 0 HA SER A 60 1.361 8.103 5.548 1.00 3.05 H new ATOM 0 HB2 SER A 60 3.905 8.945 5.709 1.00 33.32 H new ATOM 0 HB3 SER A 60 3.378 10.060 4.464 1.00 33.32 H new ATOM 0 HG SER A 60 3.053 10.910 6.598 1.00 10.31 H new ATOM 970 N ARG A 61 1.906 9.085 2.439 1.00 45.21 N ATOM 971 CA ARG A 61 1.256 9.620 1.249 1.00 3.34 C ATOM 972 C ARG A 61 0.271 8.611 0.667 1.00 60.54 C ATOM 973 O ARG A 61 -0.806 8.979 0.200 1.00 30.34 O ATOM 974 CB ARG A 61 2.301 9.995 0.197 1.00 40.04 C ATOM 975 CG ARG A 61 2.751 11.445 0.273 1.00 31.32 C ATOM 976 CD ARG A 61 3.789 11.649 1.366 1.00 71.33 C ATOM 977 NE ARG A 61 4.463 12.939 1.247 1.00 73.22 N ATOM 978 CZ ARG A 61 3.942 14.082 1.678 1.00 33.13 C ATOM 979 NH1 ARG A 61 2.747 14.095 2.253 1.00 15.13 N ATOM 980 NH2 ARG A 61 4.616 15.217 1.534 1.00 60.44 N ATOM 0 H ARG A 61 2.884 8.829 2.306 1.00 45.21 H new ATOM 0 HA ARG A 61 0.704 10.514 1.538 1.00 3.34 H new ATOM 0 HB2 ARG A 61 3.170 9.347 0.314 1.00 40.04 H new ATOM 0 HB3 ARG A 61 1.891 9.802 -0.794 1.00 40.04 H new ATOM 0 HG2 ARG A 61 3.168 11.749 -0.687 1.00 31.32 H new ATOM 0 HG3 ARG A 61 1.890 12.085 0.464 1.00 31.32 H new ATOM 0 HD2 ARG A 61 3.307 11.581 2.341 1.00 71.33 H new ATOM 0 HD3 ARG A 61 4.527 10.849 1.319 1.00 71.33 H new ATOM 0 HE ARG A 61 5.384 12.963 0.809 1.00 73.22 H new ATOM 0 HH11 ARG A 61 2.226 13.226 2.365 1.00 15.13 H new ATOM 0 HH12 ARG A 61 2.349 14.974 2.583 1.00 15.13 H new ATOM 0 HH21 ARG A 61 5.535 15.212 1.092 1.00 60.44 H new ATOM 0 HH22 ARG A 61 4.215 16.094 1.866 1.00 60.44 H new ATOM 994 N MET A 62 0.650 7.337 0.698 1.00 1.41 N ATOM 995 CA MET A 62 -0.201 6.275 0.174 1.00 40.33 C ATOM 996 C MET A 62 -1.603 6.358 0.768 1.00 61.33 C ATOM 997 O MET A 62 -2.583 6.532 0.046 1.00 31.31 O ATOM 998 CB MET A 62 0.413 4.905 0.475 1.00 12.24 C ATOM 999 CG MET A 62 -0.272 3.760 -0.253 1.00 42.33 C ATOM 1000 SD MET A 62 0.478 2.161 0.111 1.00 53.02 S ATOM 1001 CE MET A 62 -0.506 1.636 1.512 1.00 34.24 C ATOM 0 H MET A 62 1.540 7.016 1.080 1.00 1.41 H new ATOM 0 HA MET A 62 -0.275 6.403 -0.906 1.00 40.33 H new ATOM 0 HB2 MET A 62 1.468 4.920 0.200 1.00 12.24 H new ATOM 0 HB3 MET A 62 0.366 4.722 1.549 1.00 12.24 H new ATOM 0 HG2 MET A 62 -1.325 3.735 0.026 1.00 42.33 H new ATOM 0 HG3 MET A 62 -0.231 3.941 -1.327 1.00 42.33 H new ATOM 0 HE1 MET A 62 -0.162 0.660 1.853 1.00 34.24 H new ATOM 0 HE2 MET A 62 -0.403 2.360 2.321 1.00 34.24 H new ATOM 0 HE3 MET A 62 -1.553 1.569 1.216 1.00 34.24 H new ATOM 1011 N ASN A 63 -1.690 6.232 2.088 1.00 22.22 N ATOM 1012 CA ASN A 63 -2.973 6.293 2.779 1.00 63.31 C ATOM 1013 C ASN A 63 -3.733 7.561 2.405 1.00 50.42 C ATOM 1014 O ASN A 63 -4.942 7.527 2.169 1.00 1.03 O ATOM 1015 CB ASN A 63 -2.764 6.237 4.294 1.00 43.20 C ATOM 1016 CG ASN A 63 -1.789 5.150 4.704 1.00 75.21 C ATOM 1017 OD1 ASN A 63 -1.640 4.142 4.013 1.00 71.02 O ATOM 1018 ND2 ASN A 63 -1.120 5.351 5.833 1.00 44.13 N ATOM 0 H ASN A 63 -0.887 6.087 2.701 1.00 22.22 H new ATOM 0 HA ASN A 63 -3.565 5.432 2.469 1.00 63.31 H new ATOM 0 HB2 ASN A 63 -2.396 7.202 4.643 1.00 43.20 H new ATOM 0 HB3 ASN A 63 -3.722 6.065 4.784 1.00 43.20 H new ATOM 0 HD21 ASN A 63 -0.450 4.655 6.160 1.00 44.13 H new ATOM 0 HD22 ASN A 63 -1.276 6.202 6.374 1.00 44.13 H new ATOM 1025 N LEU A 64 -3.018 8.679 2.352 1.00 25.02 N ATOM 1026 CA LEU A 64 -3.623 9.960 2.006 1.00 33.43 C ATOM 1027 C LEU A 64 -4.158 9.941 0.578 1.00 32.44 C ATOM 1028 O LEU A 64 -5.060 10.705 0.233 1.00 10.02 O ATOM 1029 CB LEU A 64 -2.603 11.089 2.166 1.00 41.15 C ATOM 1030 CG LEU A 64 -2.092 11.336 3.585 1.00 2.35 C ATOM 1031 CD1 LEU A 64 -0.753 12.057 3.553 1.00 30.10 C ATOM 1032 CD2 LEU A 64 -3.110 12.133 4.388 1.00 43.42 C ATOM 0 H LEU A 64 -2.017 8.724 2.544 1.00 25.02 H new ATOM 0 HA LEU A 64 -4.458 10.135 2.685 1.00 33.43 H new ATOM 0 HB2 LEU A 64 -1.748 10.872 1.526 1.00 41.15 H new ATOM 0 HB3 LEU A 64 -3.051 12.012 1.797 1.00 41.15 H new ATOM 0 HG LEU A 64 -1.950 10.371 4.072 1.00 2.35 H new ATOM 0 HD11 LEU A 64 -0.405 12.224 4.572 1.00 30.10 H new ATOM 0 HD12 LEU A 64 -0.025 11.449 3.016 1.00 30.10 H new ATOM 0 HD13 LEU A 64 -0.868 13.016 3.047 1.00 30.10 H new ATOM 0 HD21 LEU A 64 -2.729 12.299 5.396 1.00 43.42 H new ATOM 0 HD22 LEU A 64 -3.285 13.093 3.903 1.00 43.42 H new ATOM 0 HD23 LEU A 64 -4.047 11.578 4.441 1.00 43.42 H new ATOM 1044 N ASP A 65 -3.600 9.062 -0.246 1.00 4.24 N ATOM 1045 CA ASP A 65 -4.023 8.941 -1.636 1.00 32.25 C ATOM 1046 C ASP A 65 -5.216 7.998 -1.760 1.00 41.42 C ATOM 1047 O ASP A 65 -6.223 8.335 -2.383 1.00 72.11 O ATOM 1048 CB ASP A 65 -2.867 8.436 -2.501 1.00 15.35 C ATOM 1049 CG ASP A 65 -2.912 8.997 -3.910 1.00 61.45 C ATOM 1050 OD1 ASP A 65 -4.011 9.025 -4.501 1.00 52.23 O ATOM 1051 OD2 ASP A 65 -1.848 9.404 -4.421 1.00 43.42 O ATOM 0 H ASP A 65 -2.853 8.422 0.025 1.00 4.24 H new ATOM 0 HA ASP A 65 -4.324 9.928 -1.986 1.00 32.25 H new ATOM 0 HB2 ASP A 65 -1.921 8.709 -2.034 1.00 15.35 H new ATOM 0 HB3 ASP A 65 -2.898 7.347 -2.545 1.00 15.35 H new ATOM 1056 N ILE A 66 -5.095 6.817 -1.164 1.00 13.11 N ATOM 1057 CA ILE A 66 -6.164 5.826 -1.209 1.00 24.00 C ATOM 1058 C ILE A 66 -7.394 6.311 -0.451 1.00 31.30 C ATOM 1059 O ILE A 66 -8.507 6.293 -0.977 1.00 2.42 O ATOM 1060 CB ILE A 66 -5.707 4.479 -0.617 1.00 54.14 C ATOM 1061 CG1 ILE A 66 -4.399 4.027 -1.270 1.00 3.43 C ATOM 1062 CG2 ILE A 66 -6.789 3.426 -0.802 1.00 52.01 C ATOM 1063 CD1 ILE A 66 -3.810 2.784 -0.643 1.00 62.24 C ATOM 0 H ILE A 66 -4.268 6.523 -0.644 1.00 13.11 H new ATOM 0 HA ILE A 66 -6.420 5.684 -2.259 1.00 24.00 H new ATOM 0 HB ILE A 66 -5.532 4.609 0.451 1.00 54.14 H new ATOM 0 HG12 ILE A 66 -4.576 3.841 -2.329 1.00 3.43 H new ATOM 0 HG13 ILE A 66 -3.672 4.836 -1.206 1.00 3.43 H new ATOM 0 HG21 ILE A 66 -6.452 2.480 -0.379 1.00 52.01 H new ATOM 0 HG22 ILE A 66 -7.699 3.746 -0.295 1.00 52.01 H new ATOM 0 HG23 ILE A 66 -6.992 3.296 -1.865 1.00 52.01 H new ATOM 0 HD11 ILE A 66 -2.885 2.521 -1.156 1.00 62.24 H new ATOM 0 HD12 ILE A 66 -3.601 2.972 0.410 1.00 62.24 H new ATOM 0 HD13 ILE A 66 -4.519 1.961 -0.731 1.00 62.24 H new ATOM 1075 N SER A 67 -7.187 6.745 0.788 1.00 45.52 N ATOM 1076 CA SER A 67 -8.280 7.233 1.620 1.00 13.52 C ATOM 1077 C SER A 67 -9.115 8.266 0.869 1.00 21.33 C ATOM 1078 O SER A 67 -10.342 8.177 0.825 1.00 41.32 O ATOM 1079 CB SER A 67 -7.732 7.846 2.911 1.00 61.12 C ATOM 1080 OG SER A 67 -8.783 8.212 3.789 1.00 72.23 O ATOM 0 H SER A 67 -6.272 6.769 1.238 1.00 45.52 H new ATOM 0 HA SER A 67 -8.919 6.386 1.870 1.00 13.52 H new ATOM 0 HB2 SER A 67 -7.073 7.132 3.405 1.00 61.12 H new ATOM 0 HB3 SER A 67 -7.130 8.723 2.674 1.00 61.12 H new ATOM 0 HG SER A 67 -8.406 8.600 4.607 1.00 72.23 H new ATOM 1086 N LYS A 68 -8.441 9.247 0.279 1.00 10.20 N ATOM 1087 CA LYS A 68 -9.118 10.297 -0.473 1.00 5.44 C ATOM 1088 C LYS A 68 -9.832 9.721 -1.691 1.00 2.35 C ATOM 1089 O LYS A 68 -10.873 10.227 -2.108 1.00 31.12 O ATOM 1090 CB LYS A 68 -8.113 11.365 -0.915 1.00 60.42 C ATOM 1091 CG LYS A 68 -7.723 11.263 -2.380 1.00 33.23 C ATOM 1092 CD LYS A 68 -6.555 12.176 -2.710 1.00 35.23 C ATOM 1093 CE LYS A 68 -7.030 13.558 -3.132 1.00 43.11 C ATOM 1094 NZ LYS A 68 -7.600 13.554 -4.507 1.00 63.32 N ATOM 0 H LYS A 68 -7.425 9.337 0.307 1.00 10.20 H new ATOM 0 HA LYS A 68 -9.862 10.754 0.179 1.00 5.44 H new ATOM 0 HB2 LYS A 68 -8.538 12.351 -0.728 1.00 60.42 H new ATOM 0 HB3 LYS A 68 -7.215 11.283 -0.302 1.00 60.42 H new ATOM 0 HG2 LYS A 68 -7.459 10.232 -2.616 1.00 33.23 H new ATOM 0 HG3 LYS A 68 -8.578 11.524 -3.004 1.00 33.23 H new ATOM 0 HD2 LYS A 68 -5.903 12.264 -1.841 1.00 35.23 H new ATOM 0 HD3 LYS A 68 -5.961 11.734 -3.510 1.00 35.23 H new ATOM 0 HE2 LYS A 68 -7.783 13.914 -2.428 1.00 43.11 H new ATOM 0 HE3 LYS A 68 -6.196 14.258 -3.087 1.00 43.11 H new ATOM 0 HZ1 LYS A 68 -7.692 14.532 -4.848 1.00 63.32 H new ATOM 0 HZ2 LYS A 68 -6.970 13.024 -5.142 1.00 63.32 H new ATOM 0 HZ3 LYS A 68 -8.537 13.103 -4.493 1.00 63.32 H new ATOM 1108 N ALA A 69 -9.267 8.658 -2.254 1.00 53.23 N ATOM 1109 CA ALA A 69 -9.853 8.011 -3.421 1.00 55.32 C ATOM 1110 C ALA A 69 -11.184 7.353 -3.075 1.00 22.21 C ATOM 1111 O ALA A 69 -12.019 7.122 -3.949 1.00 0.02 O ATOM 1112 CB ALA A 69 -8.888 6.984 -3.996 1.00 2.45 C ATOM 0 H ALA A 69 -8.405 8.227 -1.921 1.00 53.23 H new ATOM 0 HA ALA A 69 -10.042 8.777 -4.173 1.00 55.32 H new ATOM 0 HB1 ALA A 69 -9.339 6.509 -4.867 1.00 2.45 H new ATOM 0 HB2 ALA A 69 -7.963 7.479 -4.291 1.00 2.45 H new ATOM 0 HB3 ALA A 69 -8.670 6.228 -3.242 1.00 2.45 H new ATOM 1118 N ILE A 70 -11.374 7.053 -1.794 1.00 33.32 N ATOM 1119 CA ILE A 70 -12.604 6.421 -1.332 1.00 53.05 C ATOM 1120 C ILE A 70 -13.805 7.336 -1.546 1.00 73.41 C ATOM 1121 O ILE A 70 -14.665 7.063 -2.383 1.00 35.21 O ATOM 1122 CB ILE A 70 -12.518 6.045 0.158 1.00 61.53 C ATOM 1123 CG1 ILE A 70 -11.212 5.300 0.443 1.00 24.35 C ATOM 1124 CG2 ILE A 70 -13.716 5.196 0.560 1.00 2.41 C ATOM 1125 CD1 ILE A 70 -11.099 4.804 1.868 1.00 64.41 C ATOM 0 H ILE A 70 -10.692 7.237 -1.058 1.00 33.32 H new ATOM 0 HA ILE A 70 -12.733 5.512 -1.920 1.00 53.05 H new ATOM 0 HB ILE A 70 -12.530 6.960 0.750 1.00 61.53 H new ATOM 0 HG12 ILE A 70 -11.131 4.451 -0.236 1.00 24.35 H new ATOM 0 HG13 ILE A 70 -10.372 5.961 0.229 1.00 24.35 H new ATOM 0 HG21 ILE A 70 -13.641 4.938 1.616 1.00 2.41 H new ATOM 0 HG22 ILE A 70 -14.634 5.758 0.388 1.00 2.41 H new ATOM 0 HG23 ILE A 70 -13.732 4.284 -0.036 1.00 2.41 H new ATOM 0 HD11 ILE A 70 -10.149 4.286 1.999 1.00 64.41 H new ATOM 0 HD12 ILE A 70 -11.148 5.651 2.553 1.00 64.41 H new ATOM 0 HD13 ILE A 70 -11.919 4.118 2.081 1.00 64.41 H new ATOM 1137 N ARG A 71 -13.857 8.423 -0.784 1.00 1.24 N ATOM 1138 CA ARG A 71 -14.952 9.379 -0.889 1.00 12.24 C ATOM 1139 C ARG A 71 -15.071 9.915 -2.313 1.00 74.14 C ATOM 1140 O ARG A 71 -16.161 9.956 -2.882 1.00 14.14 O ATOM 1141 CB ARG A 71 -14.742 10.539 0.087 1.00 31.50 C ATOM 1142 CG ARG A 71 -14.387 10.092 1.496 1.00 44.10 C ATOM 1143 CD ARG A 71 -15.242 10.796 2.536 1.00 34.01 C ATOM 1144 NE ARG A 71 -16.523 10.122 2.739 1.00 53.21 N ATOM 1145 CZ ARG A 71 -17.349 10.401 3.740 1.00 34.41 C ATOM 1146 NH1 ARG A 71 -17.032 11.335 4.626 1.00 35.01 N ATOM 1147 NH2 ARG A 71 -18.497 9.745 3.857 1.00 25.55 N ATOM 0 H ARG A 71 -13.153 8.664 -0.086 1.00 1.24 H new ATOM 0 HA ARG A 71 -15.877 8.862 -0.634 1.00 12.24 H new ATOM 0 HB2 ARG A 71 -13.948 11.182 -0.292 1.00 31.50 H new ATOM 0 HB3 ARG A 71 -15.650 11.141 0.124 1.00 31.50 H new ATOM 0 HG2 ARG A 71 -14.522 9.014 1.582 1.00 44.10 H new ATOM 0 HG3 ARG A 71 -13.334 10.297 1.690 1.00 44.10 H new ATOM 0 HD2 ARG A 71 -14.701 10.839 3.481 1.00 34.01 H new ATOM 0 HD3 ARG A 71 -15.419 11.825 2.223 1.00 34.01 H new ATOM 0 HE ARG A 71 -16.797 9.398 2.075 1.00 53.21 H new ATOM 0 HH11 ARG A 71 -16.151 11.842 4.540 1.00 35.01 H new ATOM 0 HH12 ARG A 71 -17.669 11.547 5.394 1.00 35.01 H new ATOM 0 HH21 ARG A 71 -18.745 9.026 3.177 1.00 25.55 H new ATOM 0 HH22 ARG A 71 -19.131 9.960 4.626 1.00 25.55 H new ATOM 1161 N ASN A 72 -13.942 10.325 -2.882 1.00 61.33 N ATOM 1162 CA ASN A 72 -13.920 10.858 -4.239 1.00 10.31 C ATOM 1163 C ASN A 72 -14.585 9.892 -5.215 1.00 1.13 C ATOM 1164 O ASN A 72 -15.709 10.121 -5.661 1.00 4.22 O ATOM 1165 CB ASN A 72 -12.480 11.134 -4.678 1.00 65.34 C ATOM 1166 CG ASN A 72 -11.979 12.484 -4.203 1.00 53.04 C ATOM 1167 OD1 ASN A 72 -11.663 13.360 -5.010 1.00 21.53 O ATOM 1168 ND2 ASN A 72 -11.903 12.658 -2.888 1.00 51.24 N ATOM 0 H ASN A 72 -13.031 10.298 -2.424 1.00 61.33 H new ATOM 0 HA ASN A 72 -14.480 11.793 -4.244 1.00 10.31 H new ATOM 0 HB2 ASN A 72 -11.829 10.351 -4.290 1.00 65.34 H new ATOM 0 HB3 ASN A 72 -12.420 11.089 -5.765 1.00 65.34 H new ATOM 0 HD21 ASN A 72 -11.572 13.545 -2.509 1.00 51.24 H new ATOM 0 HD22 ASN A 72 -12.176 11.904 -2.257 1.00 51.24 H new ATOM 1175 N ASP A 73 -13.883 8.813 -5.541 1.00 23.20 N ATOM 1176 CA ASP A 73 -14.405 7.810 -6.462 1.00 32.10 C ATOM 1177 C ASP A 73 -15.794 7.349 -6.033 1.00 14.43 C ATOM 1178 O ASP A 73 -16.760 7.472 -6.786 1.00 14.44 O ATOM 1179 CB ASP A 73 -13.458 6.612 -6.536 1.00 3.00 C ATOM 1180 CG ASP A 73 -12.072 6.998 -7.018 1.00 34.41 C ATOM 1181 OD1 ASP A 73 -11.441 7.865 -6.378 1.00 75.11 O ATOM 1182 OD2 ASP A 73 -11.620 6.431 -8.034 1.00 60.31 O ATOM 0 H ASP A 73 -12.950 8.610 -5.181 1.00 23.20 H new ATOM 0 HA ASP A 73 -14.481 8.265 -7.450 1.00 32.10 H new ATOM 0 HB2 ASP A 73 -13.382 6.151 -5.551 1.00 3.00 H new ATOM 0 HB3 ASP A 73 -13.877 5.862 -7.207 1.00 3.00 H new ATOM 1187 N GLY A 74 -15.888 6.819 -4.818 1.00 63.50 N ATOM 1188 CA GLY A 74 -17.163 6.346 -4.311 1.00 14.35 C ATOM 1189 C GLY A 74 -17.138 4.872 -3.959 1.00 54.20 C ATOM 1190 O GLY A 74 -18.185 4.235 -3.849 1.00 70.21 O ATOM 0 H GLY A 74 -15.104 6.709 -4.175 1.00 63.50 H new ATOM 0 HA2 GLY A 74 -17.435 6.923 -3.427 1.00 14.35 H new ATOM 0 HA3 GLY A 74 -17.936 6.525 -5.058 1.00 14.35 H new ATOM 1194 N VAL A 75 -15.938 4.328 -3.785 1.00 51.45 N ATOM 1195 CA VAL A 75 -15.780 2.919 -3.445 1.00 54.42 C ATOM 1196 C VAL A 75 -15.834 2.709 -1.936 1.00 64.34 C ATOM 1197 O VAL A 75 -15.990 3.660 -1.170 1.00 63.02 O ATOM 1198 CB VAL A 75 -14.450 2.357 -3.983 1.00 1.22 C ATOM 1199 CG1 VAL A 75 -14.420 2.419 -5.503 1.00 11.42 C ATOM 1200 CG2 VAL A 75 -13.272 3.114 -3.387 1.00 33.21 C ATOM 0 H VAL A 75 -15.061 4.841 -3.874 1.00 51.45 H new ATOM 0 HA VAL A 75 -16.607 2.386 -3.914 1.00 54.42 H new ATOM 0 HB VAL A 75 -14.370 1.312 -3.684 1.00 1.22 H new ATOM 0 HG11 VAL A 75 -13.473 2.018 -5.865 1.00 11.42 H new ATOM 0 HG12 VAL A 75 -15.242 1.829 -5.908 1.00 11.42 H new ATOM 0 HG13 VAL A 75 -14.523 3.455 -5.827 1.00 11.42 H new ATOM 0 HG21 VAL A 75 -12.341 2.704 -3.778 1.00 33.21 H new ATOM 0 HG22 VAL A 75 -13.344 4.168 -3.654 1.00 33.21 H new ATOM 0 HG23 VAL A 75 -13.286 3.013 -2.302 1.00 33.21 H new ATOM 1210 N THR A 76 -15.704 1.454 -1.514 1.00 33.22 N ATOM 1211 CA THR A 76 -15.739 1.118 -0.096 1.00 71.23 C ATOM 1212 C THR A 76 -14.727 0.027 0.235 1.00 61.24 C ATOM 1213 O THR A 76 -14.669 -1.005 -0.435 1.00 34.05 O ATOM 1214 CB THR A 76 -17.142 0.649 0.335 1.00 1.21 C ATOM 1215 OG1 THR A 76 -18.124 1.611 -0.063 1.00 14.35 O ATOM 1216 CG2 THR A 76 -17.205 0.448 1.842 1.00 63.41 C ATOM 0 H THR A 76 -15.574 0.655 -2.134 1.00 33.22 H new ATOM 0 HA THR A 76 -15.483 2.025 0.451 1.00 71.23 H new ATOM 0 HB THR A 76 -17.348 -0.304 -0.153 1.00 1.21 H new ATOM 0 HG1 THR A 76 -19.013 1.305 0.213 1.00 14.35 H new ATOM 0 HG21 THR A 76 -18.205 0.117 2.123 1.00 63.41 H new ATOM 0 HG22 THR A 76 -16.476 -0.306 2.139 1.00 63.41 H new ATOM 0 HG23 THR A 76 -16.980 1.389 2.344 1.00 63.41 H new ATOM 1224 N LEU A 77 -13.931 0.260 1.272 1.00 11.11 N ATOM 1225 CA LEU A 77 -12.920 -0.703 1.693 1.00 72.23 C ATOM 1226 C LEU A 77 -13.562 -1.888 2.409 1.00 74.43 C ATOM 1227 O LEU A 77 -14.345 -1.712 3.342 1.00 72.23 O ATOM 1228 CB LEU A 77 -11.898 -0.032 2.611 1.00 1.11 C ATOM 1229 CG LEU A 77 -11.399 1.344 2.168 1.00 62.50 C ATOM 1230 CD1 LEU A 77 -10.538 1.974 3.251 1.00 24.32 C ATOM 1231 CD2 LEU A 77 -10.624 1.235 0.863 1.00 50.31 C ATOM 0 H LEU A 77 -13.966 1.108 1.837 1.00 11.11 H new ATOM 0 HA LEU A 77 -12.412 -1.071 0.802 1.00 72.23 H new ATOM 0 HB2 LEU A 77 -12.339 0.066 3.603 1.00 1.11 H new ATOM 0 HB3 LEU A 77 -11.038 -0.694 2.709 1.00 1.11 H new ATOM 0 HG LEU A 77 -12.264 1.987 2.001 1.00 62.50 H new ATOM 0 HD11 LEU A 77 -10.192 2.952 2.918 1.00 24.32 H new ATOM 0 HD12 LEU A 77 -11.125 2.088 4.162 1.00 24.32 H new ATOM 0 HD13 LEU A 77 -9.678 1.334 3.451 1.00 24.32 H new ATOM 0 HD21 LEU A 77 -10.276 2.223 0.563 1.00 50.31 H new ATOM 0 HD22 LEU A 77 -9.767 0.576 1.003 1.00 50.31 H new ATOM 0 HD23 LEU A 77 -11.273 0.827 0.088 1.00 50.31 H new ATOM 1243 N SER A 78 -13.223 -3.094 1.965 1.00 33.54 N ATOM 1244 CA SER A 78 -13.769 -4.309 2.562 1.00 1.31 C ATOM 1245 C SER A 78 -13.140 -4.572 3.927 1.00 51.03 C ATOM 1246 O SER A 78 -12.211 -3.876 4.340 1.00 71.44 O ATOM 1247 CB SER A 78 -13.532 -5.506 1.640 1.00 50.32 C ATOM 1248 OG SER A 78 -14.523 -5.575 0.628 1.00 23.43 O ATOM 0 H SER A 78 -12.574 -3.257 1.195 1.00 33.54 H new ATOM 0 HA SER A 78 -14.842 -4.169 2.696 1.00 1.31 H new ATOM 0 HB2 SER A 78 -12.546 -5.427 1.183 1.00 50.32 H new ATOM 0 HB3 SER A 78 -13.540 -6.426 2.224 1.00 50.32 H new ATOM 0 HG SER A 78 -14.263 -6.244 -0.039 1.00 23.43 H new ATOM 1254 N ASP A 79 -13.654 -5.580 4.623 1.00 51.45 N ATOM 1255 CA ASP A 79 -13.144 -5.937 5.941 1.00 24.44 C ATOM 1256 C ASP A 79 -11.629 -6.108 5.910 1.00 31.00 C ATOM 1257 O ASP A 79 -10.899 -5.391 6.594 1.00 43.11 O ATOM 1258 CB ASP A 79 -13.805 -7.224 6.436 1.00 63.55 C ATOM 1259 CG ASP A 79 -13.514 -7.500 7.898 1.00 24.50 C ATOM 1260 OD1 ASP A 79 -13.699 -6.583 8.724 1.00 33.20 O ATOM 1261 OD2 ASP A 79 -13.100 -8.635 8.216 1.00 70.20 O ATOM 0 H ASP A 79 -14.424 -6.164 4.296 1.00 51.45 H new ATOM 0 HA ASP A 79 -13.386 -5.126 6.628 1.00 24.44 H new ATOM 0 HB2 ASP A 79 -14.883 -7.155 6.290 1.00 63.55 H new ATOM 0 HB3 ASP A 79 -13.455 -8.063 5.834 1.00 63.55 H new ATOM 1266 N TYR A 80 -11.163 -7.063 5.113 1.00 64.22 N ATOM 1267 CA TYR A 80 -9.734 -7.331 4.995 1.00 72.53 C ATOM 1268 C TYR A 80 -8.974 -6.069 4.600 1.00 24.21 C ATOM 1269 O TYR A 80 -7.861 -5.832 5.067 1.00 4.34 O ATOM 1270 CB TYR A 80 -9.485 -8.434 3.964 1.00 24.32 C ATOM 1271 CG TYR A 80 -10.021 -8.110 2.590 1.00 75.45 C ATOM 1272 CD1 TYR A 80 -11.329 -8.426 2.240 1.00 71.41 C ATOM 1273 CD2 TYR A 80 -9.222 -7.490 1.638 1.00 42.22 C ATOM 1274 CE1 TYR A 80 -11.825 -8.132 0.984 1.00 24.52 C ATOM 1275 CE2 TYR A 80 -9.709 -7.192 0.380 1.00 54.32 C ATOM 1276 CZ TYR A 80 -11.011 -7.515 0.058 1.00 63.05 C ATOM 1277 OH TYR A 80 -11.499 -7.221 -1.194 1.00 52.35 O ATOM 0 H TYR A 80 -11.754 -7.665 4.539 1.00 64.22 H new ATOM 0 HA TYR A 80 -9.370 -7.662 5.968 1.00 72.53 H new ATOM 0 HB2 TYR A 80 -8.413 -8.618 3.893 1.00 24.32 H new ATOM 0 HB3 TYR A 80 -9.944 -9.358 4.315 1.00 24.32 H new ATOM 0 HD1 TYR A 80 -11.969 -8.910 2.963 1.00 71.41 H new ATOM 0 HD2 TYR A 80 -8.202 -7.236 1.886 1.00 42.22 H new ATOM 0 HE1 TYR A 80 -12.844 -8.384 0.729 1.00 24.52 H new ATOM 0 HE2 TYR A 80 -9.074 -6.709 -0.348 1.00 54.32 H new ATOM 0 HH TYR A 80 -10.799 -6.787 -1.724 1.00 52.35 H new ATOM 1287 N GLN A 81 -9.585 -5.264 3.738 1.00 74.23 N ATOM 1288 CA GLN A 81 -8.966 -4.026 3.280 1.00 12.41 C ATOM 1289 C GLN A 81 -8.696 -3.087 4.451 1.00 52.25 C ATOM 1290 O GLN A 81 -7.544 -2.847 4.815 1.00 73.44 O ATOM 1291 CB GLN A 81 -9.862 -3.333 2.252 1.00 71.32 C ATOM 1292 CG GLN A 81 -9.598 -3.772 0.821 1.00 54.31 C ATOM 1293 CD GLN A 81 -8.756 -2.774 0.051 1.00 54.24 C ATOM 1294 OE1 GLN A 81 -8.237 -1.812 0.619 1.00 22.41 O ATOM 1295 NE2 GLN A 81 -8.615 -2.996 -1.251 1.00 74.03 N ATOM 0 H GLN A 81 -10.507 -5.446 3.343 1.00 74.23 H new ATOM 0 HA GLN A 81 -8.014 -4.277 2.812 1.00 12.41 H new ATOM 0 HB2 GLN A 81 -10.905 -3.533 2.498 1.00 71.32 H new ATOM 0 HB3 GLN A 81 -9.718 -2.255 2.325 1.00 71.32 H new ATOM 0 HG2 GLN A 81 -9.093 -4.738 0.829 1.00 54.31 H new ATOM 0 HG3 GLN A 81 -10.549 -3.913 0.307 1.00 54.31 H new ATOM 0 HE21 GLN A 81 -9.062 -3.805 -1.682 1.00 74.03 H new ATOM 0 HE22 GLN A 81 -8.060 -2.357 -1.820 1.00 74.03 H new ATOM 1304 N SER A 82 -9.764 -2.557 5.037 1.00 15.23 N ATOM 1305 CA SER A 82 -9.643 -1.640 6.164 1.00 4.10 C ATOM 1306 C SER A 82 -8.745 -2.228 7.248 1.00 45.14 C ATOM 1307 O SER A 82 -8.005 -1.507 7.918 1.00 24.51 O ATOM 1308 CB SER A 82 -11.023 -1.325 6.744 1.00 2.11 C ATOM 1309 OG SER A 82 -11.010 -0.097 7.453 1.00 64.31 O ATOM 0 H SER A 82 -10.724 -2.747 4.750 1.00 15.23 H new ATOM 0 HA SER A 82 -9.190 -0.717 5.802 1.00 4.10 H new ATOM 0 HB2 SER A 82 -11.757 -1.276 5.939 1.00 2.11 H new ATOM 0 HB3 SER A 82 -11.333 -2.130 7.410 1.00 2.11 H new ATOM 0 HG SER A 82 -11.904 0.083 7.813 1.00 64.31 H new ATOM 1315 N LYS A 83 -8.815 -3.545 7.415 1.00 30.15 N ATOM 1316 CA LYS A 83 -8.010 -4.234 8.416 1.00 40.42 C ATOM 1317 C LYS A 83 -6.526 -4.157 8.068 1.00 53.43 C ATOM 1318 O LYS A 83 -5.708 -3.735 8.884 1.00 2.23 O ATOM 1319 CB LYS A 83 -8.442 -5.698 8.530 1.00 52.43 C ATOM 1320 CG LYS A 83 -9.646 -5.908 9.433 1.00 43.51 C ATOM 1321 CD LYS A 83 -10.083 -7.363 9.450 1.00 3.52 C ATOM 1322 CE LYS A 83 -10.939 -7.674 10.668 1.00 51.22 C ATOM 1323 NZ LYS A 83 -11.365 -9.100 10.697 1.00 73.30 N ATOM 0 H LYS A 83 -9.422 -4.157 6.869 1.00 30.15 H new ATOM 0 HA LYS A 83 -8.167 -3.740 9.375 1.00 40.42 H new ATOM 0 HB2 LYS A 83 -8.674 -6.078 7.535 1.00 52.43 H new ATOM 0 HB3 LYS A 83 -7.607 -6.286 8.910 1.00 52.43 H new ATOM 0 HG2 LYS A 83 -9.402 -5.589 10.446 1.00 43.51 H new ATOM 0 HG3 LYS A 83 -10.471 -5.283 9.092 1.00 43.51 H new ATOM 0 HD2 LYS A 83 -10.645 -7.586 8.543 1.00 3.52 H new ATOM 0 HD3 LYS A 83 -9.204 -8.008 9.447 1.00 3.52 H new ATOM 0 HE2 LYS A 83 -10.378 -7.444 11.574 1.00 51.22 H new ATOM 0 HE3 LYS A 83 -11.820 -7.032 10.666 1.00 51.22 H new ATOM 0 HZ1 LYS A 83 -11.844 -9.301 11.598 1.00 73.30 H new ATOM 0 HZ2 LYS A 83 -12.018 -9.283 9.909 1.00 73.30 H new ATOM 0 HZ3 LYS A 83 -10.530 -9.714 10.605 1.00 73.30 H new ATOM 1337 N LYS A 84 -6.187 -4.566 6.851 1.00 53.24 N ATOM 1338 CA LYS A 84 -4.804 -4.541 6.392 1.00 42.41 C ATOM 1339 C LYS A 84 -4.237 -3.126 6.449 1.00 0.11 C ATOM 1340 O LYS A 84 -3.020 -2.934 6.463 1.00 2.23 O ATOM 1341 CB LYS A 84 -4.708 -5.082 4.963 1.00 32.13 C ATOM 1342 CG LYS A 84 -4.820 -4.007 3.897 1.00 2.52 C ATOM 1343 CD LYS A 84 -3.451 -3.517 3.453 1.00 14.44 C ATOM 1344 CE LYS A 84 -3.522 -2.109 2.883 1.00 55.33 C ATOM 1345 NZ LYS A 84 -2.640 -1.947 1.694 1.00 64.34 N ATOM 0 H LYS A 84 -6.852 -4.919 6.163 1.00 53.24 H new ATOM 0 HA LYS A 84 -4.217 -5.177 7.055 1.00 42.41 H new ATOM 0 HB2 LYS A 84 -3.758 -5.603 4.844 1.00 32.13 H new ATOM 0 HB3 LYS A 84 -5.497 -5.819 4.809 1.00 32.13 H new ATOM 0 HG2 LYS A 84 -5.363 -4.401 3.038 1.00 2.52 H new ATOM 0 HG3 LYS A 84 -5.400 -3.169 4.284 1.00 2.52 H new ATOM 0 HD2 LYS A 84 -2.765 -3.534 4.300 1.00 14.44 H new ATOM 0 HD3 LYS A 84 -3.047 -4.195 2.702 1.00 14.44 H new ATOM 0 HE2 LYS A 84 -4.551 -1.881 2.606 1.00 55.33 H new ATOM 0 HE3 LYS A 84 -3.232 -1.391 3.651 1.00 55.33 H new ATOM 0 HZ1 LYS A 84 -2.952 -1.124 1.140 1.00 64.34 H new ATOM 0 HZ2 LYS A 84 -1.659 -1.802 2.007 1.00 64.34 H new ATOM 0 HZ3 LYS A 84 -2.692 -2.802 1.104 1.00 64.34 H new ATOM 1359 N LEU A 85 -5.125 -2.139 6.483 1.00 23.13 N ATOM 1360 CA LEU A 85 -4.713 -0.741 6.542 1.00 33.13 C ATOM 1361 C LEU A 85 -3.988 -0.440 7.849 1.00 62.02 C ATOM 1362 O LEU A 85 -3.089 0.399 7.895 1.00 11.44 O ATOM 1363 CB LEU A 85 -5.929 0.177 6.398 1.00 61.51 C ATOM 1364 CG LEU A 85 -5.768 1.360 5.444 1.00 13.42 C ATOM 1365 CD1 LEU A 85 -7.092 2.087 5.267 1.00 41.15 C ATOM 1366 CD2 LEU A 85 -4.698 2.314 5.954 1.00 11.14 C ATOM 0 H LEU A 85 -6.135 -2.281 6.471 1.00 23.13 H new ATOM 0 HA LEU A 85 -4.026 -0.557 5.716 1.00 33.13 H new ATOM 0 HB2 LEU A 85 -6.774 -0.423 6.061 1.00 61.51 H new ATOM 0 HB3 LEU A 85 -6.186 0.564 7.384 1.00 61.51 H new ATOM 0 HG LEU A 85 -5.454 0.979 4.472 1.00 13.42 H new ATOM 0 HD11 LEU A 85 -6.958 2.926 4.585 1.00 41.15 H new ATOM 0 HD12 LEU A 85 -7.832 1.400 4.857 1.00 41.15 H new ATOM 0 HD13 LEU A 85 -7.436 2.456 6.233 1.00 41.15 H new ATOM 0 HD21 LEU A 85 -4.597 3.150 5.262 1.00 11.14 H new ATOM 0 HD22 LEU A 85 -4.983 2.689 6.937 1.00 11.14 H new ATOM 0 HD23 LEU A 85 -3.747 1.787 6.028 1.00 11.14 H new ATOM 1378 N LYS A 86 -4.382 -1.134 8.912 1.00 71.35 N ATOM 1379 CA LYS A 86 -3.768 -0.945 10.221 1.00 62.22 C ATOM 1380 C LYS A 86 -2.357 -1.522 10.248 1.00 44.03 C ATOM 1381 O LYS A 86 -1.619 -1.336 11.214 1.00 2.23 O ATOM 1382 CB LYS A 86 -4.621 -1.606 11.307 1.00 14.44 C ATOM 1383 CG LYS A 86 -4.257 -3.057 11.567 1.00 13.13 C ATOM 1384 CD LYS A 86 -5.245 -3.718 12.515 1.00 35.03 C ATOM 1385 CE LYS A 86 -6.635 -3.802 11.901 1.00 5.33 C ATOM 1386 NZ LYS A 86 -7.663 -3.161 12.768 1.00 60.15 N ATOM 0 H LYS A 86 -5.125 -1.833 8.892 1.00 71.35 H new ATOM 0 HA LYS A 86 -3.708 0.126 10.415 1.00 62.22 H new ATOM 0 HB2 LYS A 86 -4.515 -1.042 12.234 1.00 14.44 H new ATOM 0 HB3 LYS A 86 -5.670 -1.550 11.018 1.00 14.44 H new ATOM 0 HG2 LYS A 86 -4.236 -3.603 10.624 1.00 13.13 H new ATOM 0 HG3 LYS A 86 -3.254 -3.111 11.989 1.00 13.13 H new ATOM 0 HD2 LYS A 86 -4.896 -4.720 12.766 1.00 35.03 H new ATOM 0 HD3 LYS A 86 -5.291 -3.154 13.446 1.00 35.03 H new ATOM 0 HE2 LYS A 86 -6.631 -3.318 10.924 1.00 5.33 H new ATOM 0 HE3 LYS A 86 -6.898 -4.847 11.738 1.00 5.33 H new ATOM 0 HZ1 LYS A 86 -8.596 -3.239 12.316 1.00 60.15 H new ATOM 0 HZ2 LYS A 86 -7.685 -3.639 13.692 1.00 60.15 H new ATOM 0 HZ3 LYS A 86 -7.426 -2.157 12.903 1.00 60.15 H new ATOM 1400 N GLU A 87 -1.988 -2.222 9.179 1.00 50.21 N ATOM 1401 CA GLU A 87 -0.664 -2.826 9.082 1.00 2.14 C ATOM 1402 C GLU A 87 0.424 -1.754 9.091 1.00 51.05 C ATOM 1403 O GLU A 87 1.072 -1.519 10.111 1.00 72.40 O ATOM 1404 CB GLU A 87 -0.555 -3.668 7.810 1.00 61.31 C ATOM 1405 CG GLU A 87 -1.433 -4.909 7.824 1.00 15.54 C ATOM 1406 CD GLU A 87 -0.926 -5.971 8.779 1.00 32.34 C ATOM 1407 OE1 GLU A 87 0.303 -6.184 8.829 1.00 24.24 O ATOM 1408 OE2 GLU A 87 -1.758 -6.590 9.475 1.00 1.12 O ATOM 0 H GLU A 87 -2.587 -2.384 8.369 1.00 50.21 H new ATOM 0 HA GLU A 87 -0.522 -3.471 9.949 1.00 2.14 H new ATOM 0 HB2 GLU A 87 -0.825 -3.052 6.952 1.00 61.31 H new ATOM 0 HB3 GLU A 87 0.483 -3.969 7.672 1.00 61.31 H new ATOM 0 HG2 GLU A 87 -2.448 -4.628 8.105 1.00 15.54 H new ATOM 0 HG3 GLU A 87 -1.484 -5.325 6.818 1.00 15.54 H new ATOM 1415 N LEU A 88 0.619 -1.110 7.945 1.00 3.21 N ATOM 1416 CA LEU A 88 1.628 -0.064 7.819 1.00 13.32 C ATOM 1417 C LEU A 88 1.297 1.124 8.717 1.00 71.02 C ATOM 1418 O LEU A 88 2.106 2.039 8.880 1.00 72.34 O ATOM 1419 CB LEU A 88 1.735 0.396 6.364 1.00 20.03 C ATOM 1420 CG LEU A 88 0.414 0.546 5.609 1.00 33.02 C ATOM 1421 CD1 LEU A 88 -0.029 -0.791 5.036 1.00 44.20 C ATOM 1422 CD2 LEU A 88 -0.660 1.120 6.522 1.00 61.44 C ATOM 0 H LEU A 88 0.092 -1.294 7.091 1.00 3.21 H new ATOM 0 HA LEU A 88 2.586 -0.478 8.134 1.00 13.32 H new ATOM 0 HB2 LEU A 88 2.253 1.355 6.344 1.00 20.03 H new ATOM 0 HB3 LEU A 88 2.360 -0.315 5.824 1.00 20.03 H new ATOM 0 HG LEU A 88 0.567 1.239 4.782 1.00 33.02 H new ATOM 0 HD11 LEU A 88 -0.971 -0.664 4.502 1.00 44.20 H new ATOM 0 HD12 LEU A 88 0.731 -1.162 4.348 1.00 44.20 H new ATOM 0 HD13 LEU A 88 -0.165 -1.507 5.846 1.00 44.20 H new ATOM 0 HD21 LEU A 88 -1.593 1.220 5.968 1.00 61.44 H new ATOM 0 HD22 LEU A 88 -0.811 0.452 7.370 1.00 61.44 H new ATOM 0 HD23 LEU A 88 -0.346 2.099 6.883 1.00 61.44 H new ATOM 1434 N THR A 89 0.102 1.103 9.300 1.00 23.11 N ATOM 1435 CA THR A 89 -0.336 2.177 10.183 1.00 12.21 C ATOM 1436 C THR A 89 0.498 2.215 11.459 1.00 62.11 C ATOM 1437 O THR A 89 0.969 3.274 11.872 1.00 61.01 O ATOM 1438 CB THR A 89 -1.822 2.024 10.559 1.00 53.14 C ATOM 1439 OG1 THR A 89 -2.648 2.371 9.440 1.00 24.32 O ATOM 1440 CG2 THR A 89 -2.172 2.906 11.748 1.00 75.13 C ATOM 0 H THR A 89 -0.579 0.354 9.176 1.00 23.11 H new ATOM 0 HA THR A 89 -0.201 3.110 9.636 1.00 12.21 H new ATOM 0 HB THR A 89 -2.001 0.984 10.833 1.00 53.14 H new ATOM 0 HG1 THR A 89 -2.995 1.554 9.024 1.00 24.32 H new ATOM 0 HG21 THR A 89 -3.226 2.781 11.996 1.00 75.13 H new ATOM 0 HG22 THR A 89 -1.562 2.620 12.605 1.00 75.13 H new ATOM 0 HG23 THR A 89 -1.979 3.949 11.497 1.00 75.13 H new ATOM 1448 N SER A 90 0.677 1.053 12.078 1.00 34.42 N ATOM 1449 CA SER A 90 1.452 0.954 13.310 1.00 75.33 C ATOM 1450 C SER A 90 2.946 1.044 13.019 1.00 63.13 C ATOM 1451 O SER A 90 3.713 1.584 13.818 1.00 54.15 O ATOM 1452 CB SER A 90 1.138 -0.360 14.030 1.00 0.55 C ATOM 1453 OG SER A 90 0.441 -0.123 15.241 1.00 43.30 O ATOM 0 H SER A 90 0.296 0.167 11.747 1.00 34.42 H new ATOM 0 HA SER A 90 1.174 1.788 13.954 1.00 75.33 H new ATOM 0 HB2 SER A 90 0.540 -1.000 13.381 1.00 0.55 H new ATOM 0 HB3 SER A 90 2.065 -0.895 14.239 1.00 0.55 H new ATOM 0 HG SER A 90 0.250 -0.977 15.681 1.00 43.30 H new ATOM 1459 N ILE A 91 3.353 0.512 11.872 1.00 52.13 N ATOM 1460 CA ILE A 91 4.755 0.532 11.475 1.00 10.53 C ATOM 1461 C ILE A 91 5.196 1.940 11.086 1.00 34.32 C ATOM 1462 O ILE A 91 6.346 2.322 11.297 1.00 41.50 O ATOM 1463 CB ILE A 91 5.021 -0.422 10.295 1.00 3.53 C ATOM 1464 CG1 ILE A 91 4.612 -1.849 10.664 1.00 55.04 C ATOM 1465 CG2 ILE A 91 6.488 -0.372 9.894 1.00 64.11 C ATOM 1466 CD1 ILE A 91 4.501 -2.772 9.470 1.00 33.32 C ATOM 0 H ILE A 91 2.731 0.061 11.201 1.00 52.13 H new ATOM 0 HA ILE A 91 5.332 0.198 12.338 1.00 10.53 H new ATOM 0 HB ILE A 91 4.421 -0.101 9.444 1.00 3.53 H new ATOM 0 HG12 ILE A 91 5.341 -2.258 11.363 1.00 55.04 H new ATOM 0 HG13 ILE A 91 3.654 -1.821 11.182 1.00 55.04 H new ATOM 0 HG21 ILE A 91 6.660 -1.051 9.059 1.00 64.11 H new ATOM 0 HG22 ILE A 91 6.749 0.643 9.596 1.00 64.11 H new ATOM 0 HG23 ILE A 91 7.107 -0.672 10.740 1.00 64.11 H new ATOM 0 HD11 ILE A 91 4.208 -3.767 9.805 1.00 33.32 H new ATOM 0 HD12 ILE A 91 3.751 -2.386 8.780 1.00 33.32 H new ATOM 0 HD13 ILE A 91 5.465 -2.829 8.964 1.00 33.32 H new ATOM 1478 N SER A 92 4.271 2.707 10.517 1.00 25.05 N ATOM 1479 CA SER A 92 4.564 4.072 10.096 1.00 13.13 C ATOM 1480 C SER A 92 4.730 4.989 11.304 1.00 55.41 C ATOM 1481 O SER A 92 3.979 4.898 12.274 1.00 25.22 O ATOM 1482 CB SER A 92 3.449 4.599 9.191 1.00 53.24 C ATOM 1483 OG SER A 92 2.203 4.602 9.864 1.00 30.12 O ATOM 0 H SER A 92 3.313 2.406 10.337 1.00 25.05 H new ATOM 0 HA SER A 92 5.501 4.061 9.538 1.00 13.13 H new ATOM 0 HB2 SER A 92 3.691 5.610 8.863 1.00 53.24 H new ATOM 0 HB3 SER A 92 3.381 3.981 8.296 1.00 53.24 H new ATOM 0 HG SER A 92 2.257 4.027 10.656 1.00 30.12 H new