USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=18 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 171:sc= -1.07 (180deg=-1.48) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 162:sc=-0.00845 (180deg=-0.474) USER MOD Single : A 14 SER OG : rot 176:sc= -3.05! USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.8!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 29:sc= 0.353 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= -0.494 K(o=-0.49,f=-2.5!) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.481 (180deg=-0.884) USER MOD Single : A 50 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.8!) 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= -0.655 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0718 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.263 X(o=-0.26,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 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.718 K(o=-0.72,f=-5.3!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.069 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 94:sc= 1.27 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 10.671 -5.176 8.564 1.00 24.32 N ATOM 195 CA ARG A 13 9.399 -4.495 8.779 1.00 64.32 C ATOM 196 C ARG A 13 9.038 -3.628 7.577 1.00 34.21 C ATOM 197 O ARG A 13 7.862 -3.441 7.265 1.00 12.22 O ATOM 198 CB ARG A 13 9.465 -3.633 10.041 1.00 71.41 C ATOM 199 CG ARG A 13 9.043 -4.369 11.303 1.00 63.34 C ATOM 200 CD ARG A 13 7.531 -4.511 11.386 1.00 51.32 C ATOM 201 NE ARG A 13 7.096 -4.976 12.700 1.00 22.21 N ATOM 202 CZ ARG A 13 5.911 -5.530 12.929 1.00 74.12 C ATOM 203 NH1 ARG A 13 5.047 -5.687 11.936 1.00 31.13 N ATOM 204 NH2 ARG A 13 5.588 -5.928 14.153 1.00 71.34 N ATOM 0 HA ARG A 13 8.626 -5.253 8.905 1.00 64.32 H new ATOM 0 HB2 ARG A 13 10.484 -3.266 10.168 1.00 71.41 H new ATOM 0 HB3 ARG A 13 8.826 -2.760 9.909 1.00 71.41 H new ATOM 0 HG2 ARG A 13 9.504 -5.357 11.321 1.00 63.34 H new ATOM 0 HG3 ARG A 13 9.408 -3.831 12.178 1.00 63.34 H new ATOM 0 HD2 ARG A 13 7.064 -3.550 11.169 1.00 51.32 H new ATOM 0 HD3 ARG A 13 7.190 -5.211 10.623 1.00 51.32 H new ATOM 0 HE ARG A 13 7.738 -4.869 13.486 1.00 22.21 H new ATOM 0 HH11 ARG A 13 5.292 -5.382 10.994 1.00 31.13 H new ATOM 0 HH12 ARG A 13 4.137 -6.113 12.114 1.00 31.13 H new ATOM 0 HH21 ARG A 13 6.250 -5.809 14.920 1.00 71.34 H new ATOM 0 HH22 ARG A 13 4.677 -6.353 14.327 1.00 71.34 H new ATOM 218 N SER A 14 10.057 -3.101 6.906 1.00 55.33 N ATOM 219 CA SER A 14 9.846 -2.250 5.740 1.00 2.12 C ATOM 220 C SER A 14 9.260 -3.051 4.582 1.00 53.42 C ATOM 221 O SER A 14 8.327 -2.606 3.915 1.00 13.00 O ATOM 222 CB SER A 14 11.164 -1.600 5.312 1.00 73.54 C ATOM 223 OG SER A 14 11.318 -0.323 5.902 1.00 54.50 O ATOM 0 H SER A 14 11.037 -3.248 7.149 1.00 55.33 H new ATOM 0 HA SER A 14 9.136 -1.469 6.014 1.00 2.12 H new ATOM 0 HB2 SER A 14 11.999 -2.240 5.599 1.00 73.54 H new ATOM 0 HB3 SER A 14 11.192 -1.508 4.226 1.00 73.54 H new ATOM 0 HG SER A 14 12.196 0.043 5.666 1.00 54.50 H new ATOM 229 N ASN A 15 9.815 -4.236 4.348 1.00 4.31 N ATOM 230 CA ASN A 15 9.349 -5.099 3.270 1.00 32.21 C ATOM 231 C ASN A 15 7.986 -5.699 3.604 1.00 13.52 C ATOM 232 O ASN A 15 7.247 -6.119 2.714 1.00 14.53 O ATOM 233 CB ASN A 15 10.360 -6.218 3.010 1.00 24.22 C ATOM 234 CG ASN A 15 11.384 -5.839 1.959 1.00 52.43 C ATOM 235 OD1 ASN A 15 11.300 -6.273 0.809 1.00 13.13 O ATOM 236 ND2 ASN A 15 12.359 -5.024 2.348 1.00 32.34 N ATOM 0 H ASN A 15 10.588 -4.620 4.891 1.00 4.31 H new ATOM 0 HA ASN A 15 9.249 -4.492 2.370 1.00 32.21 H new ATOM 0 HB2 ASN A 15 10.872 -6.464 3.940 1.00 24.22 H new ATOM 0 HB3 ASN A 15 9.830 -7.115 2.690 1.00 24.22 H new ATOM 0 HD21 ASN A 15 13.077 -4.734 1.684 1.00 32.34 H new ATOM 0 HD22 ASN A 15 12.390 -4.689 3.311 1.00 32.34 H new ATOM 243 N GLN A 16 7.661 -5.734 4.893 1.00 71.12 N ATOM 244 CA GLN A 16 6.387 -6.281 5.343 1.00 23.24 C ATOM 245 C GLN A 16 5.218 -5.524 4.721 1.00 31.34 C ATOM 246 O GLN A 16 4.291 -6.129 4.184 1.00 33.03 O ATOM 247 CB GLN A 16 6.294 -6.223 6.869 1.00 43.33 C ATOM 248 CG GLN A 16 5.058 -6.907 7.430 1.00 22.02 C ATOM 249 CD GLN A 16 5.333 -8.328 7.883 1.00 34.35 C ATOM 250 OE1 GLN A 16 5.309 -9.263 7.082 1.00 51.54 O ATOM 251 NE2 GLN A 16 5.596 -8.498 9.174 1.00 61.25 N ATOM 0 H GLN A 16 8.262 -5.390 5.642 1.00 71.12 H new ATOM 0 HA GLN A 16 6.333 -7.321 5.022 1.00 23.24 H new ATOM 0 HB2 GLN A 16 7.182 -6.688 7.297 1.00 43.33 H new ATOM 0 HB3 GLN A 16 6.297 -5.180 7.185 1.00 43.33 H new ATOM 0 HG2 GLN A 16 4.678 -6.328 8.272 1.00 22.02 H new ATOM 0 HG3 GLN A 16 4.276 -6.917 6.671 1.00 22.02 H new ATOM 0 HE21 GLN A 16 5.606 -7.695 9.803 1.00 61.25 H new ATOM 0 HE22 GLN A 16 5.788 -9.432 9.537 1.00 61.25 H new ATOM 260 N ALA A 17 5.269 -4.199 4.800 1.00 40.33 N ATOM 261 CA ALA A 17 4.216 -3.360 4.243 1.00 53.10 C ATOM 262 C ALA A 17 4.034 -3.623 2.751 1.00 4.42 C ATOM 263 O ALA A 17 2.918 -3.846 2.284 1.00 53.54 O ATOM 264 CB ALA A 17 4.527 -1.890 4.486 1.00 22.34 C ATOM 0 H ALA A 17 6.029 -3.683 5.244 1.00 40.33 H new ATOM 0 HA ALA A 17 3.283 -3.611 4.747 1.00 53.10 H new ATOM 0 HB1 ALA A 17 3.732 -1.275 4.064 1.00 22.34 H new ATOM 0 HB2 ALA A 17 4.599 -1.706 5.558 1.00 22.34 H new ATOM 0 HB3 ALA A 17 5.474 -1.635 4.010 1.00 22.34 H new ATOM 270 N GLU A 18 5.138 -3.596 2.012 1.00 33.50 N ATOM 271 CA GLU A 18 5.099 -3.831 0.573 1.00 11.44 C ATOM 272 C GLU A 18 4.404 -5.152 0.256 1.00 14.55 C ATOM 273 O GLU A 18 3.568 -5.225 -0.644 1.00 72.05 O ATOM 274 CB GLU A 18 6.516 -3.837 -0.004 1.00 53.33 C ATOM 275 CG GLU A 18 6.582 -4.296 -1.451 1.00 55.20 C ATOM 276 CD GLU A 18 6.742 -5.798 -1.580 1.00 33.14 C ATOM 277 OE1 GLU A 18 7.640 -6.359 -0.918 1.00 53.24 O ATOM 278 OE2 GLU A 18 5.966 -6.414 -2.341 1.00 60.22 O ATOM 0 H GLU A 18 6.070 -3.414 2.385 1.00 33.50 H new ATOM 0 HA GLU A 18 4.531 -3.022 0.114 1.00 11.44 H new ATOM 0 HB2 GLU A 18 6.933 -2.833 0.069 1.00 53.33 H new ATOM 0 HB3 GLU A 18 7.144 -4.488 0.604 1.00 53.33 H new ATOM 0 HG2 GLU A 18 5.674 -3.985 -1.968 1.00 55.20 H new ATOM 0 HG3 GLU A 18 7.417 -3.802 -1.947 1.00 55.20 H new ATOM 285 N ASN A 19 4.755 -6.193 1.003 1.00 23.32 N ATOM 286 CA ASN A 19 4.166 -7.512 0.802 1.00 13.14 C ATOM 287 C ASN A 19 2.648 -7.458 0.947 1.00 3.41 C ATOM 288 O ASN A 19 1.917 -8.042 0.147 1.00 62.33 O ATOM 289 CB ASN A 19 4.749 -8.512 1.803 1.00 50.24 C ATOM 290 CG ASN A 19 6.068 -9.096 1.334 1.00 31.35 C ATOM 291 OD1 ASN A 19 6.335 -9.170 0.135 1.00 43.14 O ATOM 292 ND2 ASN A 19 6.899 -9.516 2.281 1.00 74.02 N ATOM 0 H ASN A 19 5.445 -6.149 1.753 1.00 23.32 H new ATOM 0 HA ASN A 19 4.406 -7.839 -0.210 1.00 13.14 H new ATOM 0 HB2 ASN A 19 4.894 -8.018 2.764 1.00 50.24 H new ATOM 0 HB3 ASN A 19 4.034 -9.319 1.965 1.00 50.24 H new ATOM 0 HD21 ASN A 19 7.800 -9.920 2.026 1.00 74.02 H new ATOM 0 HD22 ASN A 19 6.636 -9.435 3.263 1.00 74.02 H new ATOM 299 N ILE A 20 2.182 -6.752 1.972 1.00 52.23 N ATOM 300 CA ILE A 20 0.751 -6.620 2.219 1.00 2.34 C ATOM 301 C ILE A 20 0.045 -5.978 1.030 1.00 34.51 C ATOM 302 O ILE A 20 -0.993 -6.463 0.576 1.00 22.04 O ATOM 303 CB ILE A 20 0.473 -5.781 3.481 1.00 61.03 C ATOM 304 CG1 ILE A 20 1.127 -6.429 4.704 1.00 44.34 C ATOM 305 CG2 ILE A 20 -1.024 -5.626 3.695 1.00 55.33 C ATOM 306 CD1 ILE A 20 1.624 -5.428 5.724 1.00 65.23 C ATOM 0 H ILE A 20 2.774 -6.263 2.644 1.00 52.23 H new ATOM 0 HA ILE A 20 0.362 -7.627 2.369 1.00 2.34 H new ATOM 0 HB ILE A 20 0.905 -4.790 3.343 1.00 61.03 H new ATOM 0 HG12 ILE A 20 0.408 -7.095 5.181 1.00 44.34 H new ATOM 0 HG13 ILE A 20 1.963 -7.046 4.375 1.00 44.34 H new ATOM 0 HG21 ILE A 20 -1.204 -5.031 4.590 1.00 55.33 H new ATOM 0 HG22 ILE A 20 -1.465 -5.126 2.833 1.00 55.33 H new ATOM 0 HG23 ILE A 20 -1.478 -6.610 3.816 1.00 55.33 H new ATOM 0 HD11 ILE A 20 2.075 -5.957 6.563 1.00 65.23 H new ATOM 0 HD12 ILE A 20 2.367 -4.777 5.263 1.00 65.23 H new ATOM 0 HD13 ILE A 20 0.788 -4.827 6.082 1.00 65.23 H new ATOM 318 N ILE A 21 0.613 -4.887 0.529 1.00 42.14 N ATOM 319 CA ILE A 21 0.039 -4.181 -0.610 1.00 2.21 C ATOM 320 C ILE A 21 -0.256 -5.138 -1.759 1.00 71.41 C ATOM 321 O ILE A 21 -1.324 -5.083 -2.370 1.00 3.40 O ATOM 322 CB ILE A 21 0.976 -3.067 -1.112 1.00 21.32 C ATOM 323 CG1 ILE A 21 1.251 -2.058 0.005 1.00 55.13 C ATOM 324 CG2 ILE A 21 0.372 -2.373 -2.324 1.00 43.20 C ATOM 325 CD1 ILE A 21 2.290 -1.021 -0.359 1.00 40.22 C ATOM 0 H ILE A 21 1.471 -4.472 0.894 1.00 42.14 H new ATOM 0 HA ILE A 21 -0.893 -3.733 -0.266 1.00 2.21 H new ATOM 0 HB ILE A 21 1.923 -3.517 -1.410 1.00 21.32 H new ATOM 0 HG12 ILE A 21 0.321 -1.553 0.264 1.00 55.13 H new ATOM 0 HG13 ILE A 21 1.581 -2.594 0.895 1.00 55.13 H new ATOM 0 HG21 ILE A 21 1.046 -1.588 -2.667 1.00 43.20 H new ATOM 0 HG22 ILE A 21 0.224 -3.099 -3.123 1.00 43.20 H new ATOM 0 HG23 ILE A 21 -0.587 -1.934 -2.051 1.00 43.20 H new ATOM 0 HD11 ILE A 21 2.433 -0.340 0.480 1.00 40.22 H new ATOM 0 HD12 ILE A 21 3.233 -1.516 -0.590 1.00 40.22 H new ATOM 0 HD13 ILE A 21 1.953 -0.459 -1.230 1.00 40.22 H new ATOM 337 N THR A 22 0.697 -6.019 -2.047 1.00 71.53 N ATOM 338 CA THR A 22 0.539 -6.991 -3.123 1.00 23.11 C ATOM 339 C THR A 22 -0.714 -7.835 -2.922 1.00 33.22 C ATOM 340 O THR A 22 -1.328 -8.291 -3.887 1.00 62.03 O ATOM 341 CB THR A 22 1.762 -7.923 -3.221 1.00 32.33 C ATOM 342 OG1 THR A 22 2.969 -7.156 -3.157 1.00 54.34 O ATOM 343 CG2 THR A 22 1.730 -8.722 -4.515 1.00 55.30 C ATOM 0 H THR A 22 1.586 -6.080 -1.551 1.00 71.53 H new ATOM 0 HA THR A 22 0.447 -6.425 -4.050 1.00 23.11 H new ATOM 0 HB THR A 22 1.730 -8.618 -2.382 1.00 32.33 H new ATOM 0 HG1 THR A 22 3.741 -7.756 -3.218 1.00 54.34 H new ATOM 0 HG21 THR A 22 2.603 -9.373 -4.562 1.00 55.30 H new ATOM 0 HG22 THR A 22 0.824 -9.327 -4.547 1.00 55.30 H new ATOM 0 HG23 THR A 22 1.740 -8.039 -5.365 1.00 55.30 H new ATOM 351 N ASP A 23 -1.090 -8.038 -1.664 1.00 14.53 N ATOM 352 CA ASP A 23 -2.273 -8.826 -1.337 1.00 4.22 C ATOM 353 C ASP A 23 -3.528 -8.196 -1.933 1.00 64.14 C ATOM 354 O ASP A 23 -4.174 -8.779 -2.805 1.00 40.25 O ATOM 355 CB ASP A 23 -2.422 -8.954 0.180 1.00 74.43 C ATOM 356 CG ASP A 23 -3.249 -10.161 0.579 1.00 23.40 C ATOM 357 OD1 ASP A 23 -2.664 -11.252 0.746 1.00 2.55 O ATOM 358 OD2 ASP A 23 -4.481 -10.016 0.725 1.00 3.51 O ATOM 0 H ASP A 23 -0.593 -7.668 -0.854 1.00 14.53 H new ATOM 0 HA ASP A 23 -2.148 -9.820 -1.768 1.00 4.22 H new ATOM 0 HB2 ASP A 23 -1.434 -9.027 0.635 1.00 74.43 H new ATOM 0 HB3 ASP A 23 -2.888 -8.051 0.574 1.00 74.43 H new ATOM 363 N LEU A 24 -3.868 -7.003 -1.457 1.00 41.01 N ATOM 364 CA LEU A 24 -5.046 -6.293 -1.942 1.00 60.41 C ATOM 365 C LEU A 24 -5.075 -6.263 -3.466 1.00 43.33 C ATOM 366 O LEU A 24 -6.142 -6.297 -4.080 1.00 60.43 O ATOM 367 CB LEU A 24 -5.070 -4.867 -1.391 1.00 3.31 C ATOM 368 CG LEU A 24 -5.262 -4.734 0.120 1.00 33.15 C ATOM 369 CD1 LEU A 24 -5.464 -3.278 0.507 1.00 10.45 C ATOM 370 CD2 LEU A 24 -6.440 -5.579 0.585 1.00 72.15 C ATOM 0 H LEU A 24 -3.344 -6.507 -0.736 1.00 41.01 H new ATOM 0 HA LEU A 24 -5.930 -6.825 -1.591 1.00 60.41 H new ATOM 0 HB2 LEU A 24 -4.134 -4.378 -1.662 1.00 3.31 H new ATOM 0 HB3 LEU A 24 -5.871 -4.320 -1.888 1.00 3.31 H new ATOM 0 HG LEU A 24 -4.361 -5.098 0.614 1.00 33.15 H new ATOM 0 HD11 LEU A 24 -5.599 -3.204 1.586 1.00 10.45 H new ATOM 0 HD12 LEU A 24 -4.590 -2.698 0.210 1.00 10.45 H new ATOM 0 HD13 LEU A 24 -6.348 -2.887 0.003 1.00 10.45 H new ATOM 0 HD21 LEU A 24 -6.562 -5.472 1.663 1.00 72.15 H new ATOM 0 HD22 LEU A 24 -7.348 -5.245 0.083 1.00 72.15 H new ATOM 0 HD23 LEU A 24 -6.255 -6.626 0.343 1.00 72.15 H new ATOM 382 N LEU A 25 -3.894 -6.198 -4.073 1.00 72.41 N ATOM 383 CA LEU A 25 -3.782 -6.165 -5.527 1.00 50.12 C ATOM 384 C LEU A 25 -4.391 -7.418 -6.149 1.00 55.45 C ATOM 385 O LEU A 25 -5.342 -7.337 -6.928 1.00 62.25 O ATOM 386 CB LEU A 25 -2.316 -6.037 -5.943 1.00 21.11 C ATOM 387 CG LEU A 25 -1.845 -4.632 -6.318 1.00 2.02 C ATOM 388 CD1 LEU A 25 -2.460 -4.198 -7.639 1.00 13.52 C ATOM 389 CD2 LEU A 25 -2.190 -3.641 -5.215 1.00 65.21 C ATOM 0 H LEU A 25 -3.001 -6.167 -3.581 1.00 72.41 H new ATOM 0 HA LEU A 25 -4.333 -5.297 -5.889 1.00 50.12 H new ATOM 0 HB2 LEU A 25 -1.694 -6.401 -5.125 1.00 21.11 H new ATOM 0 HB3 LEU A 25 -2.142 -6.696 -6.794 1.00 21.11 H new ATOM 0 HG LEU A 25 -0.761 -4.652 -6.435 1.00 2.02 H new ATOM 0 HD11 LEU A 25 -2.113 -3.195 -7.890 1.00 13.52 H new ATOM 0 HD12 LEU A 25 -2.162 -4.892 -8.425 1.00 13.52 H new ATOM 0 HD13 LEU A 25 -3.546 -4.195 -7.551 1.00 13.52 H new ATOM 0 HD21 LEU A 25 -1.847 -2.646 -5.499 1.00 65.21 H new ATOM 0 HD22 LEU A 25 -3.270 -3.624 -5.066 1.00 65.21 H new ATOM 0 HD23 LEU A 25 -1.701 -3.942 -4.289 1.00 65.21 H new ATOM 401 N ASP A 26 -3.840 -8.574 -5.799 1.00 43.01 N ATOM 402 CA ASP A 26 -4.330 -9.845 -6.320 1.00 54.01 C ATOM 403 C ASP A 26 -5.770 -10.093 -5.880 1.00 24.10 C ATOM 404 O ASP A 26 -6.608 -10.517 -6.675 1.00 73.03 O ATOM 405 CB ASP A 26 -3.435 -10.993 -5.851 1.00 54.23 C ATOM 406 CG ASP A 26 -3.580 -12.230 -6.715 1.00 41.24 C ATOM 407 OD1 ASP A 26 -4.454 -12.231 -7.606 1.00 73.34 O ATOM 408 OD2 ASP A 26 -2.819 -13.196 -6.501 1.00 24.34 O ATOM 0 H ASP A 26 -3.053 -8.658 -5.156 1.00 43.01 H new ATOM 0 HA ASP A 26 -4.304 -9.797 -7.409 1.00 54.01 H new ATOM 0 HB2 ASP A 26 -2.395 -10.666 -5.861 1.00 54.23 H new ATOM 0 HB3 ASP A 26 -3.681 -11.243 -4.819 1.00 54.23 H new ATOM 413 N ASP A 27 -6.048 -9.827 -4.608 1.00 40.11 N ATOM 414 CA ASP A 27 -7.386 -10.022 -4.061 1.00 31.40 C ATOM 415 C ASP A 27 -8.402 -9.149 -4.790 1.00 14.34 C ATOM 416 O ASP A 27 -9.565 -9.526 -4.943 1.00 13.04 O ATOM 417 CB ASP A 27 -7.400 -9.703 -2.566 1.00 30.41 C ATOM 418 CG ASP A 27 -8.474 -10.471 -1.821 1.00 23.24 C ATOM 419 OD1 ASP A 27 -9.516 -10.781 -2.434 1.00 63.24 O ATOM 420 OD2 ASP A 27 -8.272 -10.763 -0.623 1.00 12.44 O ATOM 0 H ASP A 27 -5.365 -9.476 -3.937 1.00 40.11 H new ATOM 0 HA ASP A 27 -7.662 -11.067 -4.204 1.00 31.40 H new ATOM 0 HB2 ASP A 27 -6.426 -9.939 -2.138 1.00 30.41 H new ATOM 0 HB3 ASP A 27 -7.559 -8.634 -2.427 1.00 30.41 H new ATOM 425 N LEU A 28 -7.958 -7.979 -5.237 1.00 73.22 N ATOM 426 CA LEU A 28 -8.829 -7.051 -5.949 1.00 35.52 C ATOM 427 C LEU A 28 -9.208 -7.602 -7.320 1.00 35.00 C ATOM 428 O LEU A 28 -10.214 -7.202 -7.907 1.00 30.04 O ATOM 429 CB LEU A 28 -8.142 -5.694 -6.105 1.00 12.11 C ATOM 430 CG LEU A 28 -8.417 -4.672 -5.000 1.00 43.35 C ATOM 431 CD1 LEU A 28 -7.310 -3.629 -4.952 1.00 22.35 C ATOM 432 CD2 LEU A 28 -9.769 -4.007 -5.212 1.00 54.24 C ATOM 0 H LEU A 28 -7.000 -7.651 -5.119 1.00 73.22 H new ATOM 0 HA LEU A 28 -9.740 -6.925 -5.364 1.00 35.52 H new ATOM 0 HB2 LEU A 28 -7.066 -5.858 -6.161 1.00 12.11 H new ATOM 0 HB3 LEU A 28 -8.448 -5.261 -7.057 1.00 12.11 H new ATOM 0 HG LEU A 28 -8.438 -5.195 -4.044 1.00 43.35 H new ATOM 0 HD11 LEU A 28 -7.522 -2.910 -4.161 1.00 22.35 H new ATOM 0 HD12 LEU A 28 -6.357 -4.119 -4.752 1.00 22.35 H new ATOM 0 HD13 LEU A 28 -7.257 -3.110 -5.909 1.00 22.35 H new ATOM 0 HD21 LEU A 28 -9.947 -3.283 -4.417 1.00 54.24 H new ATOM 0 HD22 LEU A 28 -9.776 -3.497 -6.175 1.00 54.24 H new ATOM 0 HD23 LEU A 28 -10.553 -4.764 -5.196 1.00 54.24 H new ATOM 552 N SER A 36 -8.352 1.293 -11.670 1.00 60.13 N ATOM 553 CA SER A 36 -7.745 2.611 -11.518 1.00 30.44 C ATOM 554 C SER A 36 -7.161 2.782 -10.118 1.00 70.44 C ATOM 555 O SER A 36 -6.077 3.341 -9.950 1.00 20.10 O ATOM 556 CB SER A 36 -8.779 3.706 -11.789 1.00 2.13 C ATOM 557 OG SER A 36 -9.595 3.373 -12.899 1.00 24.03 O ATOM 0 HA SER A 36 -6.936 2.697 -12.243 1.00 30.44 H new ATOM 0 HB2 SER A 36 -9.402 3.849 -10.906 1.00 2.13 H new ATOM 0 HB3 SER A 36 -8.271 4.652 -11.978 1.00 2.13 H new ATOM 0 HG SER A 36 -9.661 2.398 -12.976 1.00 24.03 H new ATOM 563 N LEU A 37 -7.888 2.297 -9.118 1.00 33.23 N ATOM 564 CA LEU A 37 -7.444 2.395 -7.732 1.00 70.13 C ATOM 565 C LEU A 37 -6.080 1.738 -7.549 1.00 63.25 C ATOM 566 O LEU A 37 -5.227 2.244 -6.819 1.00 52.35 O ATOM 567 CB LEU A 37 -8.466 1.740 -6.801 1.00 50.22 C ATOM 568 CG LEU A 37 -8.599 2.360 -5.409 1.00 21.22 C ATOM 569 CD1 LEU A 37 -7.232 2.509 -4.758 1.00 52.15 C ATOM 570 CD2 LEU A 37 -9.304 3.706 -5.490 1.00 22.24 C ATOM 0 H LEU A 37 -8.787 1.832 -9.241 1.00 33.23 H new ATOM 0 HA LEU A 37 -7.355 3.452 -7.479 1.00 70.13 H new ATOM 0 HB2 LEU A 37 -9.442 1.771 -7.286 1.00 50.22 H new ATOM 0 HB3 LEU A 37 -8.201 0.689 -6.685 1.00 50.22 H new ATOM 0 HG LEU A 37 -9.201 1.694 -4.791 1.00 21.22 H new ATOM 0 HD11 LEU A 37 -7.347 2.952 -3.769 1.00 52.15 H new ATOM 0 HD12 LEU A 37 -6.764 1.529 -4.665 1.00 52.15 H new ATOM 0 HD13 LEU A 37 -6.604 3.153 -5.373 1.00 52.15 H new ATOM 0 HD21 LEU A 37 -9.390 4.132 -4.491 1.00 22.24 H new ATOM 0 HD22 LEU A 37 -8.729 4.380 -6.124 1.00 22.24 H new ATOM 0 HD23 LEU A 37 -10.299 3.571 -5.913 1.00 22.24 H new ATOM 582 N LYS A 38 -5.878 0.608 -8.220 1.00 52.21 N ATOM 583 CA LYS A 38 -4.616 -0.117 -8.135 1.00 54.04 C ATOM 584 C LYS A 38 -3.438 0.804 -8.438 1.00 24.13 C ATOM 585 O LYS A 38 -2.313 0.552 -8.005 1.00 64.12 O ATOM 586 CB LYS A 38 -4.616 -1.297 -9.110 1.00 35.03 C ATOM 587 CG LYS A 38 -5.453 -2.475 -8.638 1.00 53.34 C ATOM 588 CD LYS A 38 -6.186 -3.136 -9.793 1.00 3.31 C ATOM 589 CE LYS A 38 -7.306 -4.038 -9.299 1.00 15.35 C ATOM 590 NZ LYS A 38 -8.334 -4.274 -10.351 1.00 44.51 N ATOM 0 H LYS A 38 -6.573 0.175 -8.829 1.00 52.21 H new ATOM 0 HA LYS A 38 -4.510 -0.493 -7.117 1.00 54.04 H new ATOM 0 HB2 LYS A 38 -4.991 -0.959 -10.076 1.00 35.03 H new ATOM 0 HB3 LYS A 38 -3.590 -1.630 -9.265 1.00 35.03 H new ATOM 0 HG2 LYS A 38 -4.810 -3.206 -8.148 1.00 53.34 H new ATOM 0 HG3 LYS A 38 -6.174 -2.135 -7.895 1.00 53.34 H new ATOM 0 HD2 LYS A 38 -6.597 -2.370 -10.450 1.00 3.31 H new ATOM 0 HD3 LYS A 38 -5.482 -3.720 -10.386 1.00 3.31 H new ATOM 0 HE2 LYS A 38 -6.889 -4.993 -8.979 1.00 15.35 H new ATOM 0 HE3 LYS A 38 -7.777 -3.587 -8.426 1.00 15.35 H new ATOM 0 HZ1 LYS A 38 -9.080 -4.893 -9.975 1.00 44.51 H new ATOM 0 HZ2 LYS A 38 -8.751 -3.366 -10.639 1.00 44.51 H new ATOM 0 HZ3 LYS A 38 -7.890 -4.728 -11.175 1.00 44.51 H new ATOM 604 N LYS A 39 -3.704 1.873 -9.181 1.00 25.32 N ATOM 605 CA LYS A 39 -2.666 2.834 -9.538 1.00 71.52 C ATOM 606 C LYS A 39 -1.919 3.312 -8.299 1.00 5.42 C ATOM 607 O LYS A 39 -0.699 3.484 -8.325 1.00 51.52 O ATOM 608 CB LYS A 39 -3.280 4.028 -10.271 1.00 13.35 C ATOM 609 CG LYS A 39 -3.873 5.073 -9.341 1.00 21.53 C ATOM 610 CD LYS A 39 -4.517 6.209 -10.117 1.00 1.23 C ATOM 611 CE LYS A 39 -6.026 6.230 -9.926 1.00 25.24 C ATOM 612 NZ LYS A 39 -6.557 7.619 -9.860 1.00 14.51 N ATOM 0 H LYS A 39 -4.629 2.096 -9.548 1.00 25.32 H new ATOM 0 HA LYS A 39 -1.955 2.337 -10.198 1.00 71.52 H new ATOM 0 HB2 LYS A 39 -2.515 4.497 -10.890 1.00 13.35 H new ATOM 0 HB3 LYS A 39 -4.058 3.669 -10.944 1.00 13.35 H new ATOM 0 HG2 LYS A 39 -4.616 4.606 -8.694 1.00 21.53 H new ATOM 0 HG3 LYS A 39 -3.091 5.471 -8.694 1.00 21.53 H new ATOM 0 HD2 LYS A 39 -4.095 7.159 -9.790 1.00 1.23 H new ATOM 0 HD3 LYS A 39 -4.285 6.104 -11.177 1.00 1.23 H new ATOM 0 HE2 LYS A 39 -6.504 5.697 -10.748 1.00 25.24 H new ATOM 0 HE3 LYS A 39 -6.284 5.699 -9.010 1.00 25.24 H new ATOM 0 HZ1 LYS A 39 -7.588 7.591 -9.729 1.00 14.51 H new ATOM 0 HZ2 LYS A 39 -6.120 8.120 -9.060 1.00 14.51 H new ATOM 0 HZ3 LYS A 39 -6.334 8.118 -10.745 1.00 14.51 H new ATOM 626 N VAL A 40 -2.655 3.527 -7.214 1.00 32.34 N ATOM 627 CA VAL A 40 -2.061 3.984 -5.963 1.00 75.31 C ATOM 628 C VAL A 40 -1.208 2.891 -5.328 1.00 74.12 C ATOM 629 O VAL A 40 -0.007 3.068 -5.119 1.00 12.35 O ATOM 630 CB VAL A 40 -3.140 4.427 -4.958 1.00 24.54 C ATOM 631 CG1 VAL A 40 -2.561 4.507 -3.554 1.00 24.21 C ATOM 632 CG2 VAL A 40 -3.739 5.762 -5.374 1.00 33.12 C ATOM 0 H VAL A 40 -3.665 3.392 -7.176 1.00 32.34 H new ATOM 0 HA VAL A 40 -1.429 4.838 -6.206 1.00 75.31 H new ATOM 0 HB VAL A 40 -3.937 3.683 -4.955 1.00 24.54 H new ATOM 0 HG11 VAL A 40 -3.338 4.822 -2.857 1.00 24.21 H new ATOM 0 HG12 VAL A 40 -2.184 3.527 -3.259 1.00 24.21 H new ATOM 0 HG13 VAL A 40 -1.745 5.229 -3.538 1.00 24.21 H new ATOM 0 HG21 VAL A 40 -4.500 6.060 -4.653 1.00 33.12 H new ATOM 0 HG22 VAL A 40 -2.955 6.518 -5.407 1.00 33.12 H new ATOM 0 HG23 VAL A 40 -4.192 5.666 -6.361 1.00 33.12 H new ATOM 642 N LEU A 41 -1.836 1.759 -5.025 1.00 41.41 N ATOM 643 CA LEU A 41 -1.134 0.636 -4.415 1.00 11.24 C ATOM 644 C LEU A 41 0.111 0.272 -5.215 1.00 64.53 C ATOM 645 O LEU A 41 1.204 0.154 -4.662 1.00 11.12 O ATOM 646 CB LEU A 41 -2.062 -0.576 -4.314 1.00 34.05 C ATOM 647 CG LEU A 41 -3.470 -0.300 -3.783 1.00 23.11 C ATOM 648 CD1 LEU A 41 -4.256 -1.596 -3.659 1.00 32.13 C ATOM 649 CD2 LEU A 41 -3.404 0.415 -2.442 1.00 10.43 C ATOM 0 H LEU A 41 -2.829 1.596 -5.192 1.00 41.41 H new ATOM 0 HA LEU A 41 -0.824 0.934 -3.413 1.00 11.24 H new ATOM 0 HB2 LEU A 41 -2.150 -1.025 -5.303 1.00 34.05 H new ATOM 0 HB3 LEU A 41 -1.590 -1.317 -3.668 1.00 34.05 H new ATOM 0 HG LEU A 41 -3.985 0.348 -4.493 1.00 23.11 H new ATOM 0 HD11 LEU A 41 -5.255 -1.381 -3.280 1.00 32.13 H new ATOM 0 HD12 LEU A 41 -4.333 -2.070 -4.638 1.00 32.13 H new ATOM 0 HD13 LEU A 41 -3.744 -2.268 -2.970 1.00 32.13 H new ATOM 0 HD21 LEU A 41 -4.415 0.603 -2.080 1.00 10.43 H new ATOM 0 HD22 LEU A 41 -2.871 -0.208 -1.723 1.00 10.43 H new ATOM 0 HD23 LEU A 41 -2.879 1.363 -2.560 1.00 10.43 H new ATOM 661 N GLU A 42 -0.062 0.094 -6.522 1.00 1.20 N ATOM 662 CA GLU A 42 1.050 -0.256 -7.398 1.00 14.43 C ATOM 663 C GLU A 42 2.138 0.813 -7.351 1.00 15.32 C ATOM 664 O GLU A 42 3.291 0.526 -7.036 1.00 20.22 O ATOM 665 CB GLU A 42 0.557 -0.435 -8.836 1.00 70.22 C ATOM 666 CG GLU A 42 -0.170 -1.749 -9.070 1.00 45.34 C ATOM 667 CD GLU A 42 0.293 -2.455 -10.331 1.00 4.54 C ATOM 668 OE1 GLU A 42 0.792 -1.767 -11.246 1.00 63.32 O ATOM 669 OE2 GLU A 42 0.158 -3.694 -10.401 1.00 1.44 O ATOM 0 H GLU A 42 -0.960 0.186 -6.996 1.00 1.20 H new ATOM 0 HA GLU A 42 1.474 -1.196 -7.046 1.00 14.43 H new ATOM 0 HB2 GLU A 42 -0.110 0.390 -9.088 1.00 70.22 H new ATOM 0 HB3 GLU A 42 1.409 -0.375 -9.514 1.00 70.22 H new ATOM 0 HG2 GLU A 42 -0.014 -2.404 -8.213 1.00 45.34 H new ATOM 0 HG3 GLU A 42 -1.242 -1.560 -9.136 1.00 45.34 H new ATOM 676 N ASN A 43 1.760 2.048 -7.668 1.00 72.43 N ATOM 677 CA ASN A 43 2.702 3.161 -7.663 1.00 62.20 C ATOM 678 C ASN A 43 3.476 3.213 -6.349 1.00 71.41 C ATOM 679 O ASN A 43 4.704 3.116 -6.336 1.00 20.20 O ATOM 680 CB ASN A 43 1.965 4.482 -7.886 1.00 10.43 C ATOM 681 CG ASN A 43 2.913 5.656 -8.030 1.00 5.41 C ATOM 682 OD1 ASN A 43 3.693 5.953 -7.124 1.00 45.03 O ATOM 683 ND2 ASN A 43 2.850 6.332 -9.171 1.00 54.40 N ATOM 0 H ASN A 43 0.808 2.303 -7.931 1.00 72.43 H new ATOM 0 HA ASN A 43 3.411 3.007 -8.476 1.00 62.20 H new ATOM 0 HB2 ASN A 43 1.349 4.404 -8.782 1.00 10.43 H new ATOM 0 HB3 ASN A 43 1.290 4.664 -7.050 1.00 10.43 H new ATOM 0 HD21 ASN A 43 3.463 7.133 -9.324 1.00 54.40 H new ATOM 0 HD22 ASN A 43 2.188 6.051 -9.895 1.00 54.40 H new ATOM 690 N TYR A 44 2.751 3.365 -5.247 1.00 71.41 N ATOM 691 CA TYR A 44 3.369 3.431 -3.929 1.00 14.23 C ATOM 692 C TYR A 44 4.220 2.193 -3.663 1.00 4.42 C ATOM 693 O TYR A 44 5.309 2.285 -3.093 1.00 33.30 O ATOM 694 CB TYR A 44 2.296 3.567 -2.846 1.00 74.22 C ATOM 695 CG TYR A 44 1.768 4.976 -2.690 1.00 43.15 C ATOM 696 CD1 TYR A 44 1.113 5.613 -3.737 1.00 31.04 C ATOM 697 CD2 TYR A 44 1.927 5.670 -1.497 1.00 72.22 C ATOM 698 CE1 TYR A 44 0.630 6.900 -3.600 1.00 11.13 C ATOM 699 CE2 TYR A 44 1.446 6.956 -1.351 1.00 4.22 C ATOM 700 CZ TYR A 44 0.799 7.567 -2.404 1.00 55.43 C ATOM 701 OH TYR A 44 0.320 8.849 -2.263 1.00 33.25 O ATOM 0 H TYR A 44 1.734 3.445 -5.240 1.00 71.41 H new ATOM 0 HA TYR A 44 4.017 4.307 -3.903 1.00 14.23 H new ATOM 0 HB2 TYR A 44 1.466 2.901 -3.083 1.00 74.22 H new ATOM 0 HB3 TYR A 44 2.709 3.235 -1.893 1.00 74.22 H new ATOM 0 HD1 TYR A 44 0.979 5.093 -4.674 1.00 31.04 H new ATOM 0 HD2 TYR A 44 2.435 5.196 -0.670 1.00 72.22 H new ATOM 0 HE1 TYR A 44 0.123 7.381 -4.424 1.00 11.13 H new ATOM 0 HE2 TYR A 44 1.576 7.481 -0.416 1.00 4.22 H new ATOM 0 HH TYR A 44 0.520 9.175 -1.361 1.00 33.25 H new ATOM 711 N LEU A 45 3.718 1.037 -4.081 1.00 62.51 N ATOM 712 CA LEU A 45 4.431 -0.221 -3.890 1.00 44.21 C ATOM 713 C LEU A 45 5.807 -0.172 -4.546 1.00 42.14 C ATOM 714 O LEU A 45 6.799 -0.609 -3.965 1.00 50.40 O ATOM 715 CB LEU A 45 3.621 -1.383 -4.466 1.00 32.23 C ATOM 716 CG LEU A 45 4.406 -2.653 -4.791 1.00 61.13 C ATOM 717 CD1 LEU A 45 3.676 -3.881 -4.269 1.00 64.33 C ATOM 718 CD2 LEU A 45 4.639 -2.766 -6.292 1.00 32.52 C ATOM 0 H LEU A 45 2.819 0.944 -4.555 1.00 62.51 H new ATOM 0 HA LEU A 45 4.564 -0.375 -2.819 1.00 44.21 H new ATOM 0 HB2 LEU A 45 2.834 -1.638 -3.756 1.00 32.23 H new ATOM 0 HB3 LEU A 45 3.130 -1.041 -5.377 1.00 32.23 H new ATOM 0 HG LEU A 45 5.375 -2.595 -4.296 1.00 61.13 H new ATOM 0 HD11 LEU A 45 4.250 -4.776 -4.510 1.00 64.33 H new ATOM 0 HD12 LEU A 45 3.561 -3.804 -3.188 1.00 64.33 H new ATOM 0 HD13 LEU A 45 2.693 -3.945 -4.735 1.00 64.33 H new ATOM 0 HD21 LEU A 45 5.199 -3.676 -6.506 1.00 32.52 H new ATOM 0 HD22 LEU A 45 3.679 -2.801 -6.808 1.00 32.52 H new ATOM 0 HD23 LEU A 45 5.205 -1.901 -6.638 1.00 32.52 H new ATOM 730 N GLU A 46 5.858 0.365 -5.762 1.00 0.45 N ATOM 731 CA GLU A 46 7.113 0.473 -6.497 1.00 30.11 C ATOM 732 C GLU A 46 8.044 1.487 -5.837 1.00 52.15 C ATOM 733 O GLU A 46 9.264 1.322 -5.847 1.00 14.44 O ATOM 734 CB GLU A 46 6.847 0.877 -7.948 1.00 71.24 C ATOM 735 CG GLU A 46 7.543 -0.012 -8.965 1.00 32.21 C ATOM 736 CD GLU A 46 7.722 0.667 -10.308 1.00 75.45 C ATOM 737 OE1 GLU A 46 6.800 0.576 -11.147 1.00 23.43 O ATOM 738 OE2 GLU A 46 8.783 1.289 -10.522 1.00 1.40 O ATOM 0 H GLU A 46 5.046 0.731 -6.258 1.00 0.45 H new ATOM 0 HA GLU A 46 7.598 -0.503 -6.483 1.00 30.11 H new ATOM 0 HB2 GLU A 46 5.773 0.853 -8.132 1.00 71.24 H new ATOM 0 HB3 GLU A 46 7.173 1.907 -8.095 1.00 71.24 H new ATOM 0 HG2 GLU A 46 8.519 -0.306 -8.578 1.00 32.21 H new ATOM 0 HG3 GLU A 46 6.965 -0.926 -9.099 1.00 32.21 H new ATOM 745 N GLU A 47 7.459 2.536 -5.268 1.00 53.34 N ATOM 746 CA GLU A 47 8.237 3.577 -4.606 1.00 53.31 C ATOM 747 C GLU A 47 9.152 2.980 -3.542 1.00 74.31 C ATOM 748 O GLU A 47 10.317 3.364 -3.422 1.00 32.22 O ATOM 749 CB GLU A 47 7.307 4.613 -3.971 1.00 14.12 C ATOM 750 CG GLU A 47 6.457 5.369 -4.980 1.00 64.44 C ATOM 751 CD GLU A 47 6.195 6.803 -4.564 1.00 45.31 C ATOM 752 OE1 GLU A 47 7.076 7.658 -4.793 1.00 63.24 O ATOM 753 OE2 GLU A 47 5.109 7.071 -4.010 1.00 53.02 O ATOM 0 H GLU A 47 6.450 2.688 -5.252 1.00 53.34 H new ATOM 0 HA GLU A 47 8.855 4.066 -5.359 1.00 53.31 H new ATOM 0 HB2 GLU A 47 6.651 4.112 -3.259 1.00 14.12 H new ATOM 0 HB3 GLU A 47 7.905 5.327 -3.405 1.00 14.12 H new ATOM 0 HG2 GLU A 47 6.957 5.361 -5.949 1.00 64.44 H new ATOM 0 HG3 GLU A 47 5.506 4.852 -5.108 1.00 64.44 H new ATOM 760 N LEU A 48 8.618 2.039 -2.772 1.00 62.31 N ATOM 761 CA LEU A 48 9.386 1.387 -1.716 1.00 73.10 C ATOM 762 C LEU A 48 10.688 0.814 -2.266 1.00 31.32 C ATOM 763 O LEU A 48 11.678 0.690 -1.544 1.00 33.11 O ATOM 764 CB LEU A 48 8.558 0.275 -1.069 1.00 52.51 C ATOM 765 CG LEU A 48 7.334 0.727 -0.272 1.00 74.33 C ATOM 766 CD1 LEU A 48 6.090 -0.015 -0.739 1.00 62.31 C ATOM 767 CD2 LEU A 48 7.557 0.512 1.217 1.00 11.31 C ATOM 0 H LEU A 48 7.656 1.710 -2.859 1.00 62.31 H new ATOM 0 HA LEU A 48 9.630 2.135 -0.962 1.00 73.10 H new ATOM 0 HB2 LEU A 48 8.225 -0.406 -1.853 1.00 52.51 H new ATOM 0 HB3 LEU A 48 9.208 -0.296 -0.406 1.00 52.51 H new ATOM 0 HG LEU A 48 7.184 1.793 -0.446 1.00 74.33 H new ATOM 0 HD11 LEU A 48 5.228 0.319 -0.161 1.00 62.31 H new ATOM 0 HD12 LEU A 48 5.919 0.190 -1.796 1.00 62.31 H new ATOM 0 HD13 LEU A 48 6.230 -1.086 -0.595 1.00 62.31 H new ATOM 0 HD21 LEU A 48 6.675 0.839 1.768 1.00 11.31 H new ATOM 0 HD22 LEU A 48 7.733 -0.546 1.409 1.00 11.31 H new ATOM 0 HD23 LEU A 48 8.423 1.089 1.542 1.00 11.31 H new ATOM 779 N LYS A 49 10.681 0.466 -3.548 1.00 0.12 N ATOM 780 CA LYS A 49 11.862 -0.092 -4.196 1.00 21.02 C ATOM 781 C LYS A 49 12.867 1.005 -4.534 1.00 14.44 C ATOM 782 O LYS A 49 14.076 0.787 -4.487 1.00 2.31 O ATOM 783 CB LYS A 49 11.465 -0.843 -5.469 1.00 13.35 C ATOM 784 CG LYS A 49 10.153 -1.599 -5.344 1.00 40.42 C ATOM 785 CD LYS A 49 10.164 -2.541 -4.153 1.00 11.05 C ATOM 786 CE LYS A 49 8.903 -3.390 -4.101 1.00 52.21 C ATOM 787 NZ LYS A 49 9.154 -4.719 -3.480 1.00 13.22 N ATOM 0 H LYS A 49 9.870 0.561 -4.159 1.00 0.12 H new ATOM 0 HA LYS A 49 12.331 -0.789 -3.501 1.00 21.02 H new ATOM 0 HB2 LYS A 49 11.388 -0.132 -6.292 1.00 13.35 H new ATOM 0 HB3 LYS A 49 12.257 -1.546 -5.728 1.00 13.35 H new ATOM 0 HG2 LYS A 49 9.332 -0.890 -5.241 1.00 40.42 H new ATOM 0 HG3 LYS A 49 9.971 -2.167 -6.256 1.00 40.42 H new ATOM 0 HD2 LYS A 49 11.038 -3.190 -4.209 1.00 11.05 H new ATOM 0 HD3 LYS A 49 10.254 -1.964 -3.233 1.00 11.05 H new ATOM 0 HE2 LYS A 49 8.134 -2.864 -3.535 1.00 52.21 H new ATOM 0 HE3 LYS A 49 8.517 -3.528 -5.111 1.00 52.21 H new ATOM 0 HZ1 LYS A 49 8.342 -5.344 -3.659 1.00 13.22 H new ATOM 0 HZ2 LYS A 49 10.012 -5.138 -3.892 1.00 13.22 H new ATOM 0 HZ3 LYS A 49 9.283 -4.604 -2.455 1.00 13.22 H new ATOM 801 N GLN A 50 12.357 2.185 -4.871 1.00 15.04 N ATOM 802 CA GLN A 50 13.210 3.316 -5.215 1.00 51.41 C ATOM 803 C GLN A 50 13.774 3.975 -3.960 1.00 73.30 C ATOM 804 O GLN A 50 13.375 3.648 -2.842 1.00 43.12 O ATOM 805 CB GLN A 50 12.426 4.343 -6.035 1.00 40.33 C ATOM 806 CG GLN A 50 11.596 3.726 -7.149 1.00 72.53 C ATOM 807 CD GLN A 50 11.238 4.724 -8.231 1.00 74.04 C ATOM 808 OE1 GLN A 50 11.776 5.831 -8.276 1.00 24.25 O ATOM 809 NE2 GLN A 50 10.323 4.339 -9.114 1.00 73.55 N ATOM 0 H GLN A 50 11.357 2.383 -4.913 1.00 15.04 H new ATOM 0 HA GLN A 50 14.042 2.942 -5.812 1.00 51.41 H new ATOM 0 HB2 GLN A 50 11.768 4.901 -5.369 1.00 40.33 H new ATOM 0 HB3 GLN A 50 13.124 5.060 -6.468 1.00 40.33 H new ATOM 0 HG2 GLN A 50 12.149 2.898 -7.593 1.00 72.53 H new ATOM 0 HG3 GLN A 50 10.681 3.309 -6.727 1.00 72.53 H new ATOM 0 HE21 GLN A 50 9.902 3.413 -9.041 1.00 73.55 H new ATOM 0 HE22 GLN A 50 10.042 4.969 -9.865 1.00 73.55 H new ATOM 818 N LYS A 51 14.703 4.904 -4.152 1.00 41.13 N ATOM 819 CA LYS A 51 15.322 5.610 -3.036 1.00 23.41 C ATOM 820 C LYS A 51 14.873 7.067 -2.998 1.00 21.32 C ATOM 821 O LYS A 51 15.432 7.879 -2.261 1.00 42.33 O ATOM 822 CB LYS A 51 16.847 5.538 -3.143 1.00 75.53 C ATOM 823 CG LYS A 51 17.398 6.166 -4.412 1.00 22.45 C ATOM 824 CD LYS A 51 18.830 5.730 -4.673 1.00 53.40 C ATOM 825 CE LYS A 51 19.274 6.089 -6.083 1.00 55.24 C ATOM 826 NZ LYS A 51 20.717 5.800 -6.302 1.00 24.44 N ATOM 0 H LYS A 51 15.045 5.186 -5.071 1.00 41.13 H new ATOM 0 HA LYS A 51 15.005 5.126 -2.112 1.00 23.41 H new ATOM 0 HB2 LYS A 51 17.287 6.037 -2.280 1.00 75.53 H new ATOM 0 HB3 LYS A 51 17.157 4.494 -3.100 1.00 75.53 H new ATOM 0 HG2 LYS A 51 16.771 5.887 -5.259 1.00 22.45 H new ATOM 0 HG3 LYS A 51 17.357 7.252 -4.329 1.00 22.45 H new ATOM 0 HD2 LYS A 51 19.493 6.204 -3.950 1.00 53.40 H new ATOM 0 HD3 LYS A 51 18.916 4.653 -4.526 1.00 53.40 H new ATOM 0 HE2 LYS A 51 18.678 5.530 -6.804 1.00 55.24 H new ATOM 0 HE3 LYS A 51 19.084 7.147 -6.265 1.00 55.24 H new ATOM 0 HZ1 LYS A 51 20.979 6.059 -7.275 1.00 24.44 H new ATOM 0 HZ2 LYS A 51 21.288 6.353 -5.631 1.00 24.44 H new ATOM 0 HZ3 LYS A 51 20.894 4.786 -6.154 1.00 24.44 H new ATOM 840 N SER A 52 13.859 7.390 -3.794 1.00 51.03 N ATOM 841 CA SER A 52 13.336 8.750 -3.852 1.00 42.23 C ATOM 842 C SER A 52 12.301 8.982 -2.756 1.00 72.44 C ATOM 843 O SER A 52 11.678 10.041 -2.689 1.00 74.14 O ATOM 844 CB SER A 52 12.714 9.022 -5.224 1.00 63.30 C ATOM 845 OG SER A 52 13.667 8.854 -6.259 1.00 13.13 O ATOM 0 H SER A 52 13.383 6.729 -4.408 1.00 51.03 H new ATOM 0 HA SER A 52 14.166 9.439 -3.694 1.00 42.23 H new ATOM 0 HB2 SER A 52 11.874 8.347 -5.386 1.00 63.30 H new ATOM 0 HB3 SER A 52 12.317 10.037 -5.252 1.00 63.30 H new ATOM 0 HG SER A 52 13.244 9.032 -7.125 1.00 13.13 H new ATOM 851 N ALA A 53 12.123 7.982 -1.899 1.00 51.01 N ATOM 852 CA ALA A 53 11.165 8.076 -0.804 1.00 51.42 C ATOM 853 C ALA A 53 11.425 7.002 0.246 1.00 21.24 C ATOM 854 O ALA A 53 11.676 5.843 -0.086 1.00 14.24 O ATOM 855 CB ALA A 53 9.744 7.965 -1.336 1.00 20.14 C ATOM 0 H ALA A 53 12.629 7.098 -1.942 1.00 51.01 H new ATOM 0 HA ALA A 53 11.288 9.049 -0.328 1.00 51.42 H new ATOM 0 HB1 ALA A 53 9.039 8.037 -0.508 1.00 20.14 H new ATOM 0 HB2 ALA A 53 9.556 8.773 -2.044 1.00 20.14 H new ATOM 0 HB3 ALA A 53 9.617 7.006 -1.838 1.00 20.14 H new ATOM 861 N SER A 54 11.364 7.394 1.515 1.00 12.23 N ATOM 862 CA SER A 54 11.596 6.465 2.614 1.00 31.11 C ATOM 863 C SER A 54 10.388 5.558 2.825 1.00 11.24 C ATOM 864 O SER A 54 9.259 5.924 2.497 1.00 31.33 O ATOM 865 CB SER A 54 11.903 7.232 3.902 1.00 5.41 C ATOM 866 OG SER A 54 12.537 6.397 4.855 1.00 75.23 O ATOM 0 H SER A 54 11.156 8.349 1.807 1.00 12.23 H new ATOM 0 HA SER A 54 12.453 5.844 2.356 1.00 31.11 H new ATOM 0 HB2 SER A 54 12.544 8.084 3.677 1.00 5.41 H new ATOM 0 HB3 SER A 54 10.979 7.630 4.321 1.00 5.41 H new ATOM 0 HG SER A 54 12.724 6.912 5.668 1.00 75.23 H new ATOM 872 N VAL A 55 10.633 4.373 3.374 1.00 64.33 N ATOM 873 CA VAL A 55 9.566 3.412 3.630 1.00 53.42 C ATOM 874 C VAL A 55 8.420 4.058 4.402 1.00 72.13 C ATOM 875 O VAL A 55 7.271 4.071 3.960 1.00 33.40 O ATOM 876 CB VAL A 55 10.084 2.196 4.421 1.00 13.44 C ATOM 877 CG1 VAL A 55 8.983 1.627 5.304 1.00 63.12 C ATOM 878 CG2 VAL A 55 10.622 1.136 3.475 1.00 73.53 C ATOM 0 H VAL A 55 11.562 4.055 3.650 1.00 64.33 H new ATOM 0 HA VAL A 55 9.202 3.075 2.659 1.00 53.42 H new ATOM 0 HB VAL A 55 10.901 2.523 5.065 1.00 13.44 H new ATOM 0 HG11 VAL A 55 9.366 0.769 5.856 1.00 63.12 H new ATOM 0 HG12 VAL A 55 8.649 2.390 6.007 1.00 63.12 H new ATOM 0 HG13 VAL A 55 8.144 1.314 4.683 1.00 63.12 H new ATOM 0 HG21 VAL A 55 10.984 0.284 4.051 1.00 73.53 H new ATOM 0 HG22 VAL A 55 9.827 0.809 2.805 1.00 73.53 H new ATOM 0 HG23 VAL A 55 11.442 1.553 2.890 1.00 73.53 H new ATOM 888 N PRO A 56 8.738 4.608 5.583 1.00 72.42 N ATOM 889 CA PRO A 56 7.748 5.265 6.442 1.00 44.33 C ATOM 890 C PRO A 56 7.254 6.581 5.852 1.00 54.42 C ATOM 891 O PRO A 56 6.219 7.108 6.264 1.00 72.03 O ATOM 892 CB PRO A 56 8.518 5.518 7.740 1.00 20.15 C ATOM 893 CG PRO A 56 9.948 5.580 7.328 1.00 44.41 C ATOM 894 CD PRO A 56 10.088 4.629 6.172 1.00 31.31 C ATOM 0 HA PRO A 56 6.853 4.657 6.573 1.00 44.33 H new ATOM 0 HB2 PRO A 56 8.202 6.448 8.213 1.00 20.15 H new ATOM 0 HB3 PRO A 56 8.349 4.720 8.462 1.00 20.15 H new ATOM 0 HG2 PRO A 56 10.226 6.593 7.036 1.00 44.41 H new ATOM 0 HG3 PRO A 56 10.604 5.294 8.150 1.00 44.41 H new ATOM 0 HD2 PRO A 56 10.834 4.974 5.456 1.00 31.31 H new ATOM 0 HD3 PRO A 56 10.398 3.638 6.502 1.00 31.31 H new ATOM 902 N LEU A 57 7.998 7.108 4.886 1.00 54.54 N ATOM 903 CA LEU A 57 7.634 8.364 4.238 1.00 50.03 C ATOM 904 C LEU A 57 6.542 8.142 3.196 1.00 54.42 C ATOM 905 O LEU A 57 5.682 9.000 2.993 1.00 34.03 O ATOM 906 CB LEU A 57 8.862 8.996 3.580 1.00 11.11 C ATOM 907 CG LEU A 57 8.582 10.074 2.533 1.00 52.42 C ATOM 908 CD1 LEU A 57 7.644 11.132 3.094 1.00 0.30 C ATOM 909 CD2 LEU A 57 9.882 10.708 2.060 1.00 74.03 C ATOM 0 H LEU A 57 8.857 6.685 4.534 1.00 54.54 H new ATOM 0 HA LEU A 57 7.250 9.041 5.001 1.00 50.03 H new ATOM 0 HB2 LEU A 57 9.485 9.430 4.362 1.00 11.11 H new ATOM 0 HB3 LEU A 57 9.446 8.204 3.110 1.00 11.11 H new ATOM 0 HG LEU A 57 8.097 9.605 1.677 1.00 52.42 H new ATOM 0 HD11 LEU A 57 7.456 11.891 2.335 1.00 0.30 H new ATOM 0 HD12 LEU A 57 6.702 10.667 3.383 1.00 0.30 H new ATOM 0 HD13 LEU A 57 8.101 11.598 3.967 1.00 0.30 H new ATOM 0 HD21 LEU A 57 9.664 11.473 1.315 1.00 74.03 H new ATOM 0 HD22 LEU A 57 10.395 11.163 2.908 1.00 74.03 H new ATOM 0 HD23 LEU A 57 10.520 9.943 1.618 1.00 74.03 H new ATOM 921 N ILE A 58 6.581 6.987 2.541 1.00 3.31 N ATOM 922 CA ILE A 58 5.593 6.653 1.523 1.00 0.03 C ATOM 923 C ILE A 58 4.319 6.100 2.154 1.00 43.42 C ATOM 924 O ILE A 58 3.215 6.554 1.851 1.00 4.31 O ATOM 925 CB ILE A 58 6.145 5.622 0.520 1.00 12.51 C ATOM 926 CG1 ILE A 58 7.433 6.142 -0.121 1.00 44.21 C ATOM 927 CG2 ILE A 58 5.104 5.311 -0.545 1.00 62.24 C ATOM 928 CD1 ILE A 58 8.531 5.103 -0.201 1.00 33.44 C ATOM 0 H ILE A 58 7.286 6.267 2.697 1.00 3.31 H new ATOM 0 HA ILE A 58 5.362 7.577 0.992 1.00 0.03 H new ATOM 0 HB ILE A 58 6.375 4.701 1.056 1.00 12.51 H new ATOM 0 HG12 ILE A 58 7.210 6.501 -1.126 1.00 44.21 H new ATOM 0 HG13 ILE A 58 7.794 6.997 0.450 1.00 44.21 H new ATOM 0 HG21 ILE A 58 5.508 4.581 -1.247 1.00 62.24 H new ATOM 0 HG22 ILE A 58 4.210 4.904 -0.072 1.00 62.24 H new ATOM 0 HG23 ILE A 58 4.847 6.225 -1.080 1.00 62.24 H new ATOM 0 HD11 ILE A 58 9.414 5.542 -0.666 1.00 33.44 H new ATOM 0 HD12 ILE A 58 8.782 4.761 0.803 1.00 33.44 H new ATOM 0 HD13 ILE A 58 8.189 4.257 -0.798 1.00 33.44 H new ATOM 940 N LEU A 59 4.480 5.118 3.033 1.00 23.42 N ATOM 941 CA LEU A 59 3.344 4.503 3.710 1.00 13.34 C ATOM 942 C LEU A 59 2.453 5.563 4.349 1.00 12.45 C ATOM 943 O LEU A 59 1.229 5.432 4.366 1.00 33.40 O ATOM 944 CB LEU A 59 3.830 3.519 4.775 1.00 33.02 C ATOM 945 CG LEU A 59 4.566 2.281 4.260 1.00 12.43 C ATOM 946 CD1 LEU A 59 5.239 1.545 5.407 1.00 34.51 C ATOM 947 CD2 LEU A 59 3.607 1.360 3.521 1.00 70.34 C ATOM 0 H LEU A 59 5.387 4.730 3.294 1.00 23.42 H new ATOM 0 HA LEU A 59 2.759 3.962 2.966 1.00 13.34 H new ATOM 0 HB2 LEU A 59 4.491 4.052 5.459 1.00 33.02 H new ATOM 0 HB3 LEU A 59 2.969 3.189 5.356 1.00 33.02 H new ATOM 0 HG LEU A 59 5.338 2.604 3.561 1.00 12.43 H new ATOM 0 HD11 LEU A 59 5.758 0.667 5.022 1.00 34.51 H new ATOM 0 HD12 LEU A 59 5.957 2.206 5.892 1.00 34.51 H new ATOM 0 HD13 LEU A 59 4.486 1.233 6.131 1.00 34.51 H new ATOM 0 HD21 LEU A 59 4.148 0.484 3.162 1.00 70.34 H new ATOM 0 HD22 LEU A 59 2.813 1.044 4.197 1.00 70.34 H new ATOM 0 HD23 LEU A 59 3.172 1.891 2.674 1.00 70.34 H new ATOM 959 N SER A 60 3.075 6.614 4.875 1.00 73.10 N ATOM 960 CA SER A 60 2.338 7.696 5.517 1.00 40.33 C ATOM 961 C SER A 60 1.386 8.365 4.531 1.00 75.25 C ATOM 962 O SER A 60 0.210 8.574 4.831 1.00 63.40 O ATOM 963 CB SER A 60 3.308 8.732 6.090 1.00 53.14 C ATOM 964 OG SER A 60 2.729 9.423 7.182 1.00 4.54 O ATOM 0 H SER A 60 4.087 6.739 4.869 1.00 73.10 H new ATOM 0 HA SER A 60 1.750 7.270 6.330 1.00 40.33 H new ATOM 0 HB2 SER A 60 4.224 8.237 6.413 1.00 53.14 H new ATOM 0 HB3 SER A 60 3.587 9.443 5.312 1.00 53.14 H new ATOM 0 HG SER A 60 3.369 10.078 7.531 1.00 4.54 H new ATOM 970 N ARG A 61 1.902 8.699 3.353 1.00 63.04 N ATOM 971 CA ARG A 61 1.098 9.345 2.321 1.00 5.24 C ATOM 972 C ARG A 61 0.079 8.372 1.737 1.00 5.33 C ATOM 973 O ARG A 61 -1.003 8.774 1.310 1.00 3.14 O ATOM 974 CB ARG A 61 1.998 9.888 1.209 1.00 22.25 C ATOM 975 CG ARG A 61 3.281 10.523 1.719 1.00 3.14 C ATOM 976 CD ARG A 61 3.554 11.854 1.035 1.00 23.15 C ATOM 977 NE ARG A 61 4.914 11.929 0.507 1.00 30.24 N ATOM 978 CZ ARG A 61 5.316 11.286 -0.583 1.00 14.01 C ATOM 979 NH1 ARG A 61 4.465 10.523 -1.259 1.00 3.13 N ATOM 980 NH2 ARG A 61 6.569 11.405 -1.001 1.00 74.42 N ATOM 0 H ARG A 61 2.873 8.533 3.089 1.00 63.04 H new ATOM 0 HA ARG A 61 0.560 10.174 2.781 1.00 5.24 H new ATOM 0 HB2 ARG A 61 2.251 9.075 0.528 1.00 22.25 H new ATOM 0 HB3 ARG A 61 1.442 10.626 0.631 1.00 22.25 H new ATOM 0 HG2 ARG A 61 3.210 10.674 2.796 1.00 3.14 H new ATOM 0 HG3 ARG A 61 4.117 9.846 1.546 1.00 3.14 H new ATOM 0 HD2 ARG A 61 2.841 11.997 0.223 1.00 23.15 H new ATOM 0 HD3 ARG A 61 3.395 12.666 1.745 1.00 23.15 H new ATOM 0 HE ARG A 61 5.592 12.507 1.003 1.00 30.24 H new ATOM 0 HH11 ARG A 61 3.500 10.430 -0.941 1.00 3.13 H new ATOM 0 HH12 ARG A 61 4.776 10.030 -2.096 1.00 3.13 H new ATOM 0 HH21 ARG A 61 7.225 11.991 -0.485 1.00 74.42 H new ATOM 0 HH22 ARG A 61 6.876 10.910 -1.838 1.00 74.42 H new ATOM 994 N MET A 62 0.433 7.092 1.721 1.00 63.30 N ATOM 995 CA MET A 62 -0.451 6.061 1.189 1.00 14.24 C ATOM 996 C MET A 62 -1.853 6.190 1.780 1.00 64.10 C ATOM 997 O MET A 62 -2.832 6.332 1.051 1.00 13.11 O ATOM 998 CB MET A 62 0.114 4.671 1.484 1.00 3.44 C ATOM 999 CG MET A 62 -0.209 3.643 0.411 1.00 2.40 C ATOM 1000 SD MET A 62 0.442 2.007 0.799 1.00 43.02 S ATOM 1001 CE MET A 62 -0.609 1.541 2.172 1.00 32.03 C ATOM 0 H MET A 62 1.326 6.743 2.070 1.00 63.30 H new ATOM 0 HA MET A 62 -0.517 6.195 0.109 1.00 14.24 H new ATOM 0 HB2 MET A 62 1.196 4.743 1.592 1.00 3.44 H new ATOM 0 HB3 MET A 62 -0.279 4.323 2.439 1.00 3.44 H new ATOM 0 HG2 MET A 62 -1.290 3.580 0.288 1.00 2.40 H new ATOM 0 HG3 MET A 62 0.202 3.977 -0.542 1.00 2.40 H new ATOM 0 HE1 MET A 62 -0.439 0.493 2.421 1.00 32.03 H new ATOM 0 HE2 MET A 62 -0.375 2.162 3.037 1.00 32.03 H new ATOM 0 HE3 MET A 62 -1.654 1.684 1.895 1.00 32.03 H new ATOM 1011 N ASN A 63 -1.937 6.136 3.106 1.00 71.14 N ATOM 1012 CA ASN A 63 -3.218 6.246 3.794 1.00 74.23 C ATOM 1013 C ASN A 63 -3.954 7.515 3.376 1.00 70.14 C ATOM 1014 O ASN A 63 -5.147 7.482 3.072 1.00 14.41 O ATOM 1015 CB ASN A 63 -3.009 6.240 5.309 1.00 62.20 C ATOM 1016 CG ASN A 63 -4.219 5.718 6.059 1.00 74.32 C ATOM 1017 OD1 ASN A 63 -5.337 6.196 5.865 1.00 44.31 O ATOM 1018 ND2 ASN A 63 -4.001 4.732 6.922 1.00 61.04 N ATOM 0 H ASN A 63 -1.134 6.017 3.724 1.00 71.14 H new ATOM 0 HA ASN A 63 -3.827 5.386 3.514 1.00 74.23 H new ATOM 0 HB2 ASN A 63 -2.142 5.625 5.551 1.00 62.20 H new ATOM 0 HB3 ASN A 63 -2.785 7.252 5.646 1.00 62.20 H new ATOM 0 HD21 ASN A 63 -4.777 4.341 7.456 1.00 61.04 H new ATOM 0 HD22 ASN A 63 -3.058 4.366 7.051 1.00 61.04 H new ATOM 1025 N LEU A 64 -3.235 8.632 3.361 1.00 62.30 N ATOM 1026 CA LEU A 64 -3.819 9.913 2.979 1.00 71.35 C ATOM 1027 C LEU A 64 -4.086 9.963 1.478 1.00 51.33 C ATOM 1028 O LEU A 64 -4.746 10.879 0.986 1.00 75.33 O ATOM 1029 CB LEU A 64 -2.889 11.059 3.382 1.00 33.45 C ATOM 1030 CG LEU A 64 -2.387 11.040 4.826 1.00 13.33 C ATOM 1031 CD1 LEU A 64 -0.962 11.563 4.902 1.00 20.44 C ATOM 1032 CD2 LEU A 64 -3.306 11.859 5.721 1.00 32.23 C ATOM 0 H LEU A 64 -2.247 8.677 3.609 1.00 62.30 H new ATOM 0 HA LEU A 64 -4.769 10.023 3.502 1.00 71.35 H new ATOM 0 HB2 LEU A 64 -2.025 11.050 2.718 1.00 33.45 H new ATOM 0 HB3 LEU A 64 -3.411 12.001 3.212 1.00 33.45 H new ATOM 0 HG LEU A 64 -2.393 10.009 5.179 1.00 13.33 H new ATOM 0 HD11 LEU A 64 -0.621 11.542 5.937 1.00 20.44 H new ATOM 0 HD12 LEU A 64 -0.311 10.935 4.293 1.00 20.44 H new ATOM 0 HD13 LEU A 64 -0.930 12.587 4.530 1.00 20.44 H new ATOM 0 HD21 LEU A 64 -2.933 11.834 6.745 1.00 32.23 H new ATOM 0 HD22 LEU A 64 -3.332 12.890 5.369 1.00 32.23 H new ATOM 0 HD23 LEU A 64 -4.312 11.440 5.691 1.00 32.23 H new ATOM 1044 N ASP A 65 -3.570 8.974 0.757 1.00 54.31 N ATOM 1045 CA ASP A 65 -3.756 8.904 -0.688 1.00 41.53 C ATOM 1046 C ASP A 65 -4.942 8.011 -1.041 1.00 43.22 C ATOM 1047 O ASP A 65 -5.896 8.454 -1.681 1.00 70.12 O ATOM 1048 CB ASP A 65 -2.487 8.378 -1.362 1.00 15.44 C ATOM 1049 CG ASP A 65 -2.418 8.745 -2.831 1.00 72.41 C ATOM 1050 OD1 ASP A 65 -2.682 9.919 -3.162 1.00 74.25 O ATOM 1051 OD2 ASP A 65 -2.101 7.857 -3.650 1.00 72.35 O ATOM 0 H ASP A 65 -3.020 8.210 1.149 1.00 54.31 H new ATOM 0 HA ASP A 65 -3.961 9.911 -1.052 1.00 41.53 H new ATOM 0 HB2 ASP A 65 -1.613 8.779 -0.849 1.00 15.44 H new ATOM 0 HB3 ASP A 65 -2.447 7.294 -1.259 1.00 15.44 H new ATOM 1056 N ILE A 66 -4.874 6.753 -0.620 1.00 23.11 N ATOM 1057 CA ILE A 66 -5.941 5.798 -0.891 1.00 53.21 C ATOM 1058 C ILE A 66 -7.282 6.314 -0.380 1.00 53.11 C ATOM 1059 O ILE A 66 -8.298 6.222 -1.069 1.00 54.24 O ATOM 1060 CB ILE A 66 -5.651 4.430 -0.247 1.00 54.31 C ATOM 1061 CG1 ILE A 66 -4.291 3.902 -0.710 1.00 4.25 C ATOM 1062 CG2 ILE A 66 -6.753 3.439 -0.589 1.00 70.31 C ATOM 1063 CD1 ILE A 66 -3.923 2.567 -0.102 1.00 4.41 C ATOM 0 H ILE A 66 -4.091 6.371 -0.090 1.00 23.11 H new ATOM 0 HA ILE A 66 -5.988 5.677 -1.973 1.00 53.21 H new ATOM 0 HB ILE A 66 -5.623 4.554 0.836 1.00 54.31 H new ATOM 0 HG12 ILE A 66 -4.297 3.808 -1.796 1.00 4.25 H new ATOM 0 HG13 ILE A 66 -3.522 4.632 -0.457 1.00 4.25 H new ATOM 0 HG21 ILE A 66 -6.533 2.477 -0.126 1.00 70.31 H new ATOM 0 HG22 ILE A 66 -7.707 3.812 -0.215 1.00 70.31 H new ATOM 0 HG23 ILE A 66 -6.810 3.317 -1.671 1.00 70.31 H new ATOM 0 HD11 ILE A 66 -2.948 2.254 -0.475 1.00 4.41 H new ATOM 0 HD12 ILE A 66 -3.884 2.660 0.983 1.00 4.41 H new ATOM 0 HD13 ILE A 66 -4.672 1.824 -0.376 1.00 4.41 H new ATOM 1075 N SER A 67 -7.278 6.857 0.832 1.00 13.53 N ATOM 1076 CA SER A 67 -8.495 7.386 1.438 1.00 3.41 C ATOM 1077 C SER A 67 -9.163 8.402 0.517 1.00 52.43 C ATOM 1078 O SER A 67 -10.389 8.467 0.429 1.00 4.43 O ATOM 1079 CB SER A 67 -8.178 8.034 2.786 1.00 12.24 C ATOM 1080 OG SER A 67 -9.361 8.251 3.538 1.00 63.31 O ATOM 0 H SER A 67 -6.445 6.943 1.415 1.00 13.53 H new ATOM 0 HA SER A 67 -9.184 6.556 1.595 1.00 3.41 H new ATOM 0 HB2 SER A 67 -7.497 7.395 3.349 1.00 12.24 H new ATOM 0 HB3 SER A 67 -7.666 8.983 2.626 1.00 12.24 H new ATOM 0 HG SER A 67 -9.132 8.665 4.396 1.00 63.31 H new ATOM 1086 N LYS A 68 -8.346 9.195 -0.171 1.00 34.44 N ATOM 1087 CA LYS A 68 -8.855 10.208 -1.087 1.00 12.22 C ATOM 1088 C LYS A 68 -9.592 9.563 -2.257 1.00 20.22 C ATOM 1089 O LYS A 68 -10.677 10.002 -2.637 1.00 3.31 O ATOM 1090 CB LYS A 68 -7.707 11.075 -1.610 1.00 71.51 C ATOM 1091 CG LYS A 68 -7.631 12.442 -0.954 1.00 51.52 C ATOM 1092 CD LYS A 68 -6.410 13.217 -1.422 1.00 2.34 C ATOM 1093 CE LYS A 68 -6.527 14.696 -1.086 1.00 4.31 C ATOM 1094 NZ LYS A 68 -5.347 15.469 -1.567 1.00 33.43 N ATOM 0 H LYS A 68 -7.329 9.155 -0.111 1.00 34.44 H new ATOM 0 HA LYS A 68 -9.557 10.837 -0.540 1.00 12.22 H new ATOM 0 HB2 LYS A 68 -6.765 10.551 -1.449 1.00 71.51 H new ATOM 0 HB3 LYS A 68 -7.821 11.203 -2.686 1.00 71.51 H new ATOM 0 HG2 LYS A 68 -8.533 13.008 -1.185 1.00 51.52 H new ATOM 0 HG3 LYS A 68 -7.596 12.326 0.129 1.00 51.52 H new ATOM 0 HD2 LYS A 68 -5.515 12.806 -0.954 1.00 2.34 H new ATOM 0 HD3 LYS A 68 -6.291 13.096 -2.499 1.00 2.34 H new ATOM 0 HE2 LYS A 68 -7.434 15.100 -1.536 1.00 4.31 H new ATOM 0 HE3 LYS A 68 -6.625 14.817 -0.007 1.00 4.31 H new ATOM 0 HZ1 LYS A 68 -5.465 16.472 -1.319 1.00 33.43 H new ATOM 0 HZ2 LYS A 68 -4.484 15.100 -1.119 1.00 33.43 H new ATOM 0 HZ3 LYS A 68 -5.268 15.375 -2.600 1.00 33.43 H new ATOM 1108 N ALA A 69 -8.996 8.518 -2.823 1.00 4.24 N ATOM 1109 CA ALA A 69 -9.597 7.812 -3.945 1.00 75.33 C ATOM 1110 C ALA A 69 -10.987 7.295 -3.589 1.00 10.13 C ATOM 1111 O ALA A 69 -11.804 7.025 -4.469 1.00 13.23 O ATOM 1112 CB ALA A 69 -8.703 6.662 -4.387 1.00 41.10 C ATOM 0 H ALA A 69 -8.097 8.143 -2.521 1.00 4.24 H new ATOM 0 HA ALA A 69 -9.700 8.517 -4.770 1.00 75.33 H new ATOM 0 HB1 ALA A 69 -9.166 6.143 -5.227 1.00 41.10 H new ATOM 0 HB2 ALA A 69 -7.732 7.052 -4.692 1.00 41.10 H new ATOM 0 HB3 ALA A 69 -8.570 5.965 -3.559 1.00 41.10 H new ATOM 1118 N ILE A 70 -11.248 7.159 -2.293 1.00 31.12 N ATOM 1119 CA ILE A 70 -12.539 6.675 -1.821 1.00 2.13 C ATOM 1120 C ILE A 70 -13.627 7.724 -2.024 1.00 12.14 C ATOM 1121 O ILE A 70 -14.528 7.549 -2.844 1.00 63.15 O ATOM 1122 CB ILE A 70 -12.485 6.290 -0.330 1.00 43.43 C ATOM 1123 CG1 ILE A 70 -11.197 5.522 -0.026 1.00 70.11 C ATOM 1124 CG2 ILE A 70 -13.704 5.462 0.048 1.00 61.44 C ATOM 1125 CD1 ILE A 70 -11.163 4.927 1.364 1.00 21.22 C ATOM 0 H ILE A 70 -10.582 7.377 -1.552 1.00 31.12 H new ATOM 0 HA ILE A 70 -12.778 5.789 -2.409 1.00 2.13 H new ATOM 0 HB ILE A 70 -12.491 7.202 0.266 1.00 43.43 H new ATOM 0 HG12 ILE A 70 -11.079 4.723 -0.758 1.00 70.11 H new ATOM 0 HG13 ILE A 70 -10.346 6.193 -0.146 1.00 70.11 H new ATOM 0 HG21 ILE A 70 -13.651 5.198 1.104 1.00 61.44 H new ATOM 0 HG22 ILE A 70 -14.609 6.041 -0.136 1.00 61.44 H new ATOM 0 HG23 ILE A 70 -13.727 4.553 -0.553 1.00 61.44 H new ATOM 0 HD11 ILE A 70 -10.222 4.397 1.510 1.00 21.22 H new ATOM 0 HD12 ILE A 70 -11.250 5.724 2.103 1.00 21.22 H new ATOM 0 HD13 ILE A 70 -11.993 4.231 1.482 1.00 21.22 H new ATOM 1137 N ARG A 71 -13.536 8.817 -1.272 1.00 44.15 N ATOM 1138 CA ARG A 71 -14.512 9.896 -1.370 1.00 61.23 C ATOM 1139 C ARG A 71 -14.562 10.456 -2.788 1.00 62.01 C ATOM 1140 O ARG A 71 -15.638 10.635 -3.358 1.00 4.10 O ATOM 1141 CB ARG A 71 -14.171 11.011 -0.381 1.00 14.24 C ATOM 1142 CG ARG A 71 -12.748 11.529 -0.513 1.00 33.21 C ATOM 1143 CD ARG A 71 -12.306 12.270 0.740 1.00 50.04 C ATOM 1144 NE ARG A 71 -11.264 11.547 1.464 1.00 52.33 N ATOM 1145 CZ ARG A 71 -10.867 11.864 2.691 1.00 11.30 C ATOM 1146 NH1 ARG A 71 -11.423 12.885 3.329 1.00 53.43 N ATOM 1147 NH2 ARG A 71 -9.912 11.159 3.284 1.00 13.15 N ATOM 0 H ARG A 71 -12.796 8.978 -0.588 1.00 44.15 H new ATOM 0 HA ARG A 71 -15.493 9.489 -1.124 1.00 61.23 H new ATOM 0 HB2 ARG A 71 -14.865 11.839 -0.527 1.00 14.24 H new ATOM 0 HB3 ARG A 71 -14.322 10.643 0.634 1.00 14.24 H new ATOM 0 HG2 ARG A 71 -12.072 10.695 -0.701 1.00 33.21 H new ATOM 0 HG3 ARG A 71 -12.680 12.195 -1.374 1.00 33.21 H new ATOM 0 HD2 ARG A 71 -11.938 13.259 0.466 1.00 50.04 H new ATOM 0 HD3 ARG A 71 -13.165 12.420 1.394 1.00 50.04 H new ATOM 0 HE ARG A 71 -10.817 10.755 1.002 1.00 52.33 H new ATOM 0 HH11 ARG A 71 -12.158 13.429 2.877 1.00 53.43 H new ATOM 0 HH12 ARG A 71 -11.116 13.126 4.271 1.00 53.43 H new ATOM 0 HH21 ARG A 71 -9.482 10.373 2.797 1.00 13.15 H new ATOM 0 HH22 ARG A 71 -9.608 11.404 4.226 1.00 13.15 H new ATOM 1161 N ASN A 72 -13.390 10.731 -3.352 1.00 74.20 N ATOM 1162 CA ASN A 72 -13.301 11.273 -4.703 1.00 71.20 C ATOM 1163 C ASN A 72 -14.050 10.387 -5.695 1.00 50.21 C ATOM 1164 O ASN A 72 -15.142 10.730 -6.147 1.00 34.32 O ATOM 1165 CB ASN A 72 -11.837 11.405 -5.127 1.00 4.44 C ATOM 1166 CG ASN A 72 -11.197 12.677 -4.603 1.00 21.35 C ATOM 1167 OD1 ASN A 72 -10.879 13.585 -5.369 1.00 2.40 O ATOM 1168 ND2 ASN A 72 -11.004 12.745 -3.290 1.00 74.32 N ATOM 0 H ASN A 72 -12.490 10.587 -2.895 1.00 74.20 H new ATOM 0 HA ASN A 72 -13.763 12.260 -4.702 1.00 71.20 H new ATOM 0 HB2 ASN A 72 -11.277 10.543 -4.764 1.00 4.44 H new ATOM 0 HB3 ASN A 72 -11.774 11.391 -6.215 1.00 4.44 H new ATOM 0 HD21 ASN A 72 -10.576 13.575 -2.880 1.00 74.32 H new ATOM 0 HD22 ASN A 72 -11.284 11.967 -2.692 1.00 74.32 H new ATOM 1175 N ASP A 73 -13.455 9.247 -6.027 1.00 42.12 N ATOM 1176 CA ASP A 73 -14.066 8.310 -6.964 1.00 44.41 C ATOM 1177 C ASP A 73 -15.484 7.955 -6.529 1.00 60.22 C ATOM 1178 O ASP A 73 -16.438 8.129 -7.287 1.00 32.41 O ATOM 1179 CB ASP A 73 -13.220 7.041 -7.074 1.00 4.24 C ATOM 1180 CG ASP A 73 -13.339 6.382 -8.434 1.00 44.20 C ATOM 1181 OD1 ASP A 73 -14.431 5.867 -8.751 1.00 22.00 O ATOM 1182 OD2 ASP A 73 -12.339 6.383 -9.183 1.00 41.42 O ATOM 0 H ASP A 73 -12.551 8.949 -5.662 1.00 42.12 H new ATOM 0 HA ASP A 73 -14.114 8.790 -7.941 1.00 44.41 H new ATOM 0 HB2 ASP A 73 -12.175 7.287 -6.883 1.00 4.24 H new ATOM 0 HB3 ASP A 73 -13.528 6.335 -6.303 1.00 4.24 H new ATOM 1187 N GLY A 74 -15.615 7.455 -5.304 1.00 62.25 N ATOM 1188 CA GLY A 74 -16.920 7.082 -4.791 1.00 20.30 C ATOM 1189 C GLY A 74 -16.986 5.625 -4.379 1.00 61.13 C ATOM 1190 O GLY A 74 -18.068 5.087 -4.142 1.00 23.10 O ATOM 0 H GLY A 74 -14.841 7.302 -4.658 1.00 62.25 H new ATOM 0 HA2 GLY A 74 -17.163 7.710 -3.934 1.00 20.30 H new ATOM 0 HA3 GLY A 74 -17.675 7.276 -5.553 1.00 20.30 H new ATOM 1194 N VAL A 75 -15.826 4.982 -4.296 1.00 25.41 N ATOM 1195 CA VAL A 75 -15.755 3.577 -3.911 1.00 73.51 C ATOM 1196 C VAL A 75 -15.659 3.426 -2.397 1.00 21.11 C ATOM 1197 O VAL A 75 -15.787 4.401 -1.655 1.00 64.41 O ATOM 1198 CB VAL A 75 -14.550 2.876 -4.564 1.00 64.42 C ATOM 1199 CG1 VAL A 75 -14.518 3.149 -6.059 1.00 54.55 C ATOM 1200 CG2 VAL A 75 -13.253 3.321 -3.904 1.00 55.11 C ATOM 0 H VAL A 75 -14.922 5.412 -4.490 1.00 25.41 H new ATOM 0 HA VAL A 75 -16.673 3.106 -4.262 1.00 73.51 H new ATOM 0 HB VAL A 75 -14.655 1.801 -4.418 1.00 64.42 H new ATOM 0 HG11 VAL A 75 -13.659 2.645 -6.503 1.00 54.55 H new ATOM 0 HG12 VAL A 75 -15.434 2.776 -6.517 1.00 54.55 H new ATOM 0 HG13 VAL A 75 -14.438 4.222 -6.231 1.00 54.55 H new ATOM 0 HG21 VAL A 75 -12.412 2.816 -4.378 1.00 55.11 H new ATOM 0 HG22 VAL A 75 -13.139 4.399 -4.016 1.00 55.11 H new ATOM 0 HG23 VAL A 75 -13.278 3.067 -2.844 1.00 55.11 H new ATOM 1210 N THR A 76 -15.431 2.197 -1.944 1.00 74.11 N ATOM 1211 CA THR A 76 -15.318 1.917 -0.518 1.00 1.23 C ATOM 1212 C THR A 76 -14.392 0.734 -0.262 1.00 24.35 C ATOM 1213 O THR A 76 -14.308 -0.189 -1.073 1.00 51.12 O ATOM 1214 CB THR A 76 -16.695 1.622 0.107 1.00 25.21 C ATOM 1215 OG1 THR A 76 -16.604 1.672 1.536 1.00 52.33 O ATOM 1216 CG2 THR A 76 -17.203 0.255 -0.325 1.00 73.51 C ATOM 0 H THR A 76 -15.321 1.380 -2.544 1.00 74.11 H new ATOM 0 HA THR A 76 -14.900 2.809 -0.052 1.00 1.23 H new ATOM 0 HB THR A 76 -17.397 2.380 -0.240 1.00 25.21 H new ATOM 0 HG1 THR A 76 -17.483 1.485 1.927 1.00 52.33 H new ATOM 0 HG21 THR A 76 -18.176 0.069 0.129 1.00 73.51 H new ATOM 0 HG22 THR A 76 -17.297 0.228 -1.411 1.00 73.51 H new ATOM 0 HG23 THR A 76 -16.500 -0.513 -0.003 1.00 73.51 H new ATOM 1224 N LEU A 77 -13.698 0.767 0.870 1.00 22.33 N ATOM 1225 CA LEU A 77 -12.777 -0.304 1.235 1.00 62.34 C ATOM 1226 C LEU A 77 -13.537 -1.546 1.690 1.00 15.30 C ATOM 1227 O LEU A 77 -14.512 -1.450 2.436 1.00 41.31 O ATOM 1228 CB LEU A 77 -11.831 0.163 2.342 1.00 15.51 C ATOM 1229 CG LEU A 77 -11.411 1.633 2.289 1.00 63.23 C ATOM 1230 CD1 LEU A 77 -12.154 2.438 3.343 1.00 2.12 C ATOM 1231 CD2 LEU A 77 -9.907 1.765 2.477 1.00 71.43 C ATOM 0 H LEU A 77 -13.755 1.524 1.551 1.00 22.33 H new ATOM 0 HA LEU A 77 -12.193 -0.562 0.352 1.00 62.34 H new ATOM 0 HB2 LEU A 77 -12.309 -0.023 3.304 1.00 15.51 H new ATOM 0 HB3 LEU A 77 -10.932 -0.453 2.308 1.00 15.51 H new ATOM 0 HG LEU A 77 -11.671 2.030 1.308 1.00 63.23 H new ATOM 0 HD11 LEU A 77 -11.843 3.481 3.291 1.00 2.12 H new ATOM 0 HD12 LEU A 77 -13.227 2.370 3.163 1.00 2.12 H new ATOM 0 HD13 LEU A 77 -11.926 2.041 4.332 1.00 2.12 H new ATOM 0 HD21 LEU A 77 -9.626 2.817 2.436 1.00 71.43 H new ATOM 0 HD22 LEU A 77 -9.624 1.351 3.445 1.00 71.43 H new ATOM 0 HD23 LEU A 77 -9.392 1.221 1.685 1.00 71.43 H new ATOM 1243 N SER A 78 -13.084 -2.710 1.238 1.00 62.51 N ATOM 1244 CA SER A 78 -13.723 -3.971 1.598 1.00 43.31 C ATOM 1245 C SER A 78 -13.363 -4.374 3.026 1.00 44.34 C ATOM 1246 O SER A 78 -12.523 -3.743 3.668 1.00 12.21 O ATOM 1247 CB SER A 78 -13.306 -5.074 0.624 1.00 63.51 C ATOM 1248 OG SER A 78 -13.870 -4.863 -0.658 1.00 4.14 O ATOM 0 H SER A 78 -12.277 -2.807 0.622 1.00 62.51 H new ATOM 0 HA SER A 78 -14.803 -3.833 1.539 1.00 43.31 H new ATOM 0 HB2 SER A 78 -12.219 -5.103 0.546 1.00 63.51 H new ATOM 0 HB3 SER A 78 -13.624 -6.043 1.009 1.00 63.51 H new ATOM 0 HG SER A 78 -13.587 -5.581 -1.262 1.00 4.14 H new ATOM 1254 N ASP A 79 -14.004 -5.430 3.515 1.00 14.33 N ATOM 1255 CA ASP A 79 -13.753 -5.919 4.866 1.00 51.04 C ATOM 1256 C ASP A 79 -12.260 -6.126 5.098 1.00 0.33 C ATOM 1257 O ASP A 79 -11.641 -5.417 5.893 1.00 50.35 O ATOM 1258 CB ASP A 79 -14.505 -7.228 5.104 1.00 35.14 C ATOM 1259 CG ASP A 79 -16.005 -7.026 5.194 1.00 35.12 C ATOM 1260 OD1 ASP A 79 -16.462 -6.400 6.173 1.00 23.43 O ATOM 1261 OD2 ASP A 79 -16.723 -7.495 4.286 1.00 42.33 O ATOM 0 H ASP A 79 -14.701 -5.964 2.996 1.00 14.33 H new ATOM 0 HA ASP A 79 -14.112 -5.170 5.571 1.00 51.04 H new ATOM 0 HB2 ASP A 79 -14.283 -7.924 4.295 1.00 35.14 H new ATOM 0 HB3 ASP A 79 -14.147 -7.687 6.026 1.00 35.14 H new ATOM 1266 N TYR A 80 -11.687 -7.101 4.403 1.00 72.32 N ATOM 1267 CA TYR A 80 -10.267 -7.404 4.537 1.00 33.50 C ATOM 1268 C TYR A 80 -9.418 -6.167 4.260 1.00 22.53 C ATOM 1269 O TYR A 80 -8.371 -5.970 4.877 1.00 10.32 O ATOM 1270 CB TYR A 80 -9.872 -8.533 3.583 1.00 74.14 C ATOM 1271 CG TYR A 80 -10.030 -8.173 2.123 1.00 34.30 C ATOM 1272 CD1 TYR A 80 -11.271 -8.242 1.500 1.00 22.23 C ATOM 1273 CD2 TYR A 80 -8.940 -7.765 1.366 1.00 60.34 C ATOM 1274 CE1 TYR A 80 -11.420 -7.915 0.167 1.00 75.45 C ATOM 1275 CE2 TYR A 80 -9.079 -7.435 0.031 1.00 34.03 C ATOM 1276 CZ TYR A 80 -10.322 -7.513 -0.564 1.00 1.44 C ATOM 1277 OH TYR A 80 -10.467 -7.186 -1.892 1.00 40.45 O ATOM 0 H TYR A 80 -12.184 -7.696 3.740 1.00 72.32 H new ATOM 0 HA TYR A 80 -10.085 -7.725 5.563 1.00 33.50 H new ATOM 0 HB2 TYR A 80 -8.835 -8.810 3.770 1.00 74.14 H new ATOM 0 HB3 TYR A 80 -10.480 -9.411 3.800 1.00 74.14 H new ATOM 0 HD1 TYR A 80 -12.133 -8.557 2.069 1.00 22.23 H new ATOM 0 HD2 TYR A 80 -7.966 -7.704 1.829 1.00 60.34 H new ATOM 0 HE1 TYR A 80 -12.392 -7.974 -0.301 1.00 75.45 H new ATOM 0 HE2 TYR A 80 -8.221 -7.118 -0.543 1.00 34.03 H new ATOM 0 HH TYR A 80 -9.598 -6.923 -2.261 1.00 40.45 H new ATOM 1287 N GLN A 81 -9.877 -5.340 3.328 1.00 40.40 N ATOM 1288 CA GLN A 81 -9.161 -4.122 2.969 1.00 51.45 C ATOM 1289 C GLN A 81 -8.947 -3.234 4.190 1.00 71.32 C ATOM 1290 O GLN A 81 -7.818 -3.042 4.640 1.00 3.33 O ATOM 1291 CB GLN A 81 -9.928 -3.352 1.892 1.00 45.30 C ATOM 1292 CG GLN A 81 -9.436 -3.627 0.480 1.00 63.02 C ATOM 1293 CD GLN A 81 -9.633 -2.444 -0.447 1.00 43.04 C ATOM 1294 OE1 GLN A 81 -10.047 -1.367 -0.019 1.00 52.50 O ATOM 1295 NE2 GLN A 81 -9.335 -2.638 -1.727 1.00 52.22 N ATOM 0 H GLN A 81 -10.741 -5.491 2.808 1.00 40.40 H new ATOM 0 HA GLN A 81 -8.185 -4.408 2.576 1.00 51.45 H new ATOM 0 HB2 GLN A 81 -10.985 -3.610 1.956 1.00 45.30 H new ATOM 0 HB3 GLN A 81 -9.848 -2.284 2.094 1.00 45.30 H new ATOM 0 HG2 GLN A 81 -8.378 -3.886 0.512 1.00 63.02 H new ATOM 0 HG3 GLN A 81 -9.964 -4.491 0.077 1.00 63.02 H new ATOM 0 HE21 GLN A 81 -8.995 -3.547 -2.039 1.00 52.22 H new ATOM 0 HE22 GLN A 81 -9.447 -1.878 -2.398 1.00 52.22 H new ATOM 1304 N SER A 82 -10.040 -2.696 4.722 1.00 13.23 N ATOM 1305 CA SER A 82 -9.972 -1.824 5.889 1.00 24.25 C ATOM 1306 C SER A 82 -9.167 -2.478 7.008 1.00 4.34 C ATOM 1307 O SER A 82 -8.463 -1.803 7.759 1.00 4.32 O ATOM 1308 CB SER A 82 -11.381 -1.491 6.386 1.00 62.43 C ATOM 1309 OG SER A 82 -11.894 -0.344 5.732 1.00 24.41 O ATOM 0 H SER A 82 -10.983 -2.849 4.364 1.00 13.23 H new ATOM 0 HA SER A 82 -9.471 -0.902 5.595 1.00 24.25 H new ATOM 0 HB2 SER A 82 -12.042 -2.340 6.211 1.00 62.43 H new ATOM 0 HB3 SER A 82 -11.360 -1.321 7.462 1.00 62.43 H new ATOM 0 HG SER A 82 -12.795 -0.153 6.066 1.00 24.41 H new ATOM 1315 N LYS A 83 -9.277 -3.798 7.114 1.00 24.13 N ATOM 1316 CA LYS A 83 -8.559 -4.546 8.140 1.00 10.43 C ATOM 1317 C LYS A 83 -7.053 -4.485 7.903 1.00 21.53 C ATOM 1318 O LYS A 83 -6.289 -4.116 8.795 1.00 41.30 O ATOM 1319 CB LYS A 83 -9.025 -6.003 8.158 1.00 12.31 C ATOM 1320 CG LYS A 83 -10.184 -6.259 9.106 1.00 62.51 C ATOM 1321 CD LYS A 83 -10.938 -7.525 8.737 1.00 75.25 C ATOM 1322 CE LYS A 83 -10.101 -8.768 8.997 1.00 32.44 C ATOM 1323 NZ LYS A 83 -10.771 -10.002 8.497 1.00 5.45 N ATOM 0 H LYS A 83 -9.857 -4.372 6.502 1.00 24.13 H new ATOM 0 HA LYS A 83 -8.776 -4.090 9.106 1.00 10.43 H new ATOM 0 HB2 LYS A 83 -9.320 -6.294 7.150 1.00 12.31 H new ATOM 0 HB3 LYS A 83 -8.187 -6.640 8.441 1.00 12.31 H new ATOM 0 HG2 LYS A 83 -9.809 -6.342 10.126 1.00 62.51 H new ATOM 0 HG3 LYS A 83 -10.866 -5.409 9.086 1.00 62.51 H new ATOM 0 HD2 LYS A 83 -11.862 -7.580 9.313 1.00 75.25 H new ATOM 0 HD3 LYS A 83 -11.220 -7.488 7.685 1.00 75.25 H new ATOM 0 HE2 LYS A 83 -9.130 -8.660 8.513 1.00 32.44 H new ATOM 0 HE3 LYS A 83 -9.915 -8.864 10.067 1.00 32.44 H new ATOM 0 HZ1 LYS A 83 -10.169 -10.827 8.693 1.00 5.45 H new ATOM 0 HZ2 LYS A 83 -11.686 -10.119 8.977 1.00 5.45 H new ATOM 0 HZ3 LYS A 83 -10.926 -9.922 7.472 1.00 5.45 H new ATOM 1337 N LYS A 84 -6.633 -4.851 6.697 1.00 54.00 N ATOM 1338 CA LYS A 84 -5.220 -4.836 6.342 1.00 64.22 C ATOM 1339 C LYS A 84 -4.628 -3.442 6.521 1.00 24.42 C ATOM 1340 O LYS A 84 -3.414 -3.284 6.656 1.00 25.32 O ATOM 1341 CB LYS A 84 -5.031 -5.299 4.895 1.00 74.50 C ATOM 1342 CG LYS A 84 -5.047 -4.164 3.886 1.00 24.11 C ATOM 1343 CD LYS A 84 -3.641 -3.679 3.572 1.00 54.34 C ATOM 1344 CE LYS A 84 -3.643 -2.230 3.111 1.00 63.15 C ATOM 1345 NZ LYS A 84 -2.682 -2.002 1.995 1.00 10.21 N ATOM 0 H LYS A 84 -7.252 -5.162 5.948 1.00 54.00 H new ATOM 0 HA LYS A 84 -4.697 -5.522 7.008 1.00 64.22 H new ATOM 0 HB2 LYS A 84 -4.084 -5.833 4.814 1.00 74.50 H new ATOM 0 HB3 LYS A 84 -5.819 -6.009 4.644 1.00 74.50 H new ATOM 0 HG2 LYS A 84 -5.531 -4.498 2.968 1.00 24.11 H new ATOM 0 HG3 LYS A 84 -5.640 -3.337 4.276 1.00 24.11 H new ATOM 0 HD2 LYS A 84 -3.014 -3.780 4.458 1.00 54.34 H new ATOM 0 HD3 LYS A 84 -3.202 -4.308 2.798 1.00 54.34 H new ATOM 0 HE2 LYS A 84 -4.647 -1.953 2.789 1.00 63.15 H new ATOM 0 HE3 LYS A 84 -3.387 -1.582 3.949 1.00 63.15 H new ATOM 0 HZ1 LYS A 84 -2.918 -1.113 1.510 1.00 10.21 H new ATOM 0 HZ2 LYS A 84 -1.716 -1.943 2.375 1.00 10.21 H new ATOM 0 HZ3 LYS A 84 -2.740 -2.791 1.320 1.00 10.21 H new ATOM 1359 N LEU A 85 -5.491 -2.433 6.523 1.00 33.04 N ATOM 1360 CA LEU A 85 -5.055 -1.052 6.689 1.00 41.14 C ATOM 1361 C LEU A 85 -4.332 -0.864 8.019 1.00 75.50 C ATOM 1362 O LEU A 85 -3.441 -0.024 8.141 1.00 4.41 O ATOM 1363 CB LEU A 85 -6.252 -0.104 6.607 1.00 54.22 C ATOM 1364 CG LEU A 85 -5.942 1.337 6.197 1.00 70.41 C ATOM 1365 CD1 LEU A 85 -5.938 1.471 4.682 1.00 11.14 C ATOM 1366 CD2 LEU A 85 -6.948 2.296 6.817 1.00 64.41 C ATOM 0 H LEU A 85 -6.499 -2.546 6.411 1.00 33.04 H new ATOM 0 HA LEU A 85 -4.359 -0.818 5.883 1.00 41.14 H new ATOM 0 HB2 LEU A 85 -6.968 -0.516 5.896 1.00 54.22 H new ATOM 0 HB3 LEU A 85 -6.743 -0.086 7.580 1.00 54.22 H new ATOM 0 HG LEU A 85 -4.950 1.595 6.567 1.00 70.41 H new ATOM 0 HD11 LEU A 85 -5.716 2.502 4.409 1.00 11.14 H new ATOM 0 HD12 LEU A 85 -5.179 0.812 4.260 1.00 11.14 H new ATOM 0 HD13 LEU A 85 -6.917 1.194 4.290 1.00 11.14 H new ATOM 0 HD21 LEU A 85 -6.712 3.316 6.515 1.00 64.41 H new ATOM 0 HD22 LEU A 85 -7.952 2.040 6.478 1.00 64.41 H new ATOM 0 HD23 LEU A 85 -6.902 2.220 7.903 1.00 64.41 H new ATOM 1378 N LYS A 86 -4.722 -1.653 9.014 1.00 62.44 N ATOM 1379 CA LYS A 86 -4.110 -1.579 10.336 1.00 54.21 C ATOM 1380 C LYS A 86 -2.673 -2.088 10.299 1.00 21.12 C ATOM 1381 O LYS A 86 -1.927 -1.935 11.266 1.00 35.03 O ATOM 1382 CB LYS A 86 -4.926 -2.390 11.344 1.00 21.54 C ATOM 1383 CG LYS A 86 -4.720 -3.891 11.225 1.00 14.34 C ATOM 1384 CD LYS A 86 -5.972 -4.657 11.620 1.00 72.31 C ATOM 1385 CE LYS A 86 -6.184 -4.640 13.126 1.00 2.52 C ATOM 1386 NZ LYS A 86 -7.275 -5.563 13.544 1.00 52.14 N ATOM 0 H LYS A 86 -5.460 -2.352 8.930 1.00 62.44 H new ATOM 0 HA LYS A 86 -4.098 -0.534 10.646 1.00 54.21 H new ATOM 0 HB2 LYS A 86 -4.660 -2.074 12.353 1.00 21.54 H new ATOM 0 HB3 LYS A 86 -5.984 -2.165 11.208 1.00 21.54 H new ATOM 0 HG2 LYS A 86 -4.447 -4.142 10.200 1.00 14.34 H new ATOM 0 HG3 LYS A 86 -3.889 -4.197 11.861 1.00 14.34 H new ATOM 0 HD2 LYS A 86 -6.839 -4.220 11.125 1.00 72.31 H new ATOM 0 HD3 LYS A 86 -5.893 -5.688 11.274 1.00 72.31 H new ATOM 0 HE2 LYS A 86 -5.258 -4.923 13.626 1.00 2.52 H new ATOM 0 HE3 LYS A 86 -6.423 -3.626 13.447 1.00 2.52 H new ATOM 0 HZ1 LYS A 86 -7.388 -5.522 14.577 1.00 52.14 H new ATOM 0 HZ2 LYS A 86 -8.165 -5.278 13.087 1.00 52.14 H new ATOM 0 HZ3 LYS A 86 -7.036 -6.534 13.260 1.00 52.14 H new ATOM 1400 N GLU A 87 -2.292 -2.693 9.179 1.00 62.05 N ATOM 1401 CA GLU A 87 -0.943 -3.223 9.019 1.00 75.23 C ATOM 1402 C GLU A 87 0.084 -2.095 8.971 1.00 72.23 C ATOM 1403 O GLU A 87 0.744 -1.799 9.966 1.00 12.04 O ATOM 1404 CB GLU A 87 -0.852 -4.067 7.745 1.00 45.10 C ATOM 1405 CG GLU A 87 -1.691 -5.332 7.790 1.00 2.14 C ATOM 1406 CD GLU A 87 -0.851 -6.584 7.952 1.00 32.45 C ATOM 1407 OE1 GLU A 87 0.018 -6.603 8.848 1.00 62.03 O ATOM 1408 OE2 GLU A 87 -1.064 -7.545 7.183 1.00 33.13 O ATOM 0 H GLU A 87 -2.898 -2.828 8.370 1.00 62.05 H new ATOM 0 HA GLU A 87 -0.723 -3.853 9.881 1.00 75.23 H new ATOM 0 HB2 GLU A 87 -1.168 -3.462 6.895 1.00 45.10 H new ATOM 0 HB3 GLU A 87 0.190 -4.338 7.573 1.00 45.10 H new ATOM 0 HG2 GLU A 87 -2.399 -5.265 8.616 1.00 2.14 H new ATOM 0 HG3 GLU A 87 -2.277 -5.408 6.874 1.00 2.14 H new ATOM 1415 N LEU A 88 0.212 -1.471 7.805 1.00 5.34 N ATOM 1416 CA LEU A 88 1.159 -0.375 7.625 1.00 33.41 C ATOM 1417 C LEU A 88 0.785 0.816 8.500 1.00 2.21 C ATOM 1418 O LEU A 88 1.556 1.768 8.637 1.00 71.54 O ATOM 1419 CB LEU A 88 1.204 0.049 6.157 1.00 41.52 C ATOM 1420 CG LEU A 88 -0.139 0.087 5.427 1.00 11.42 C ATOM 1421 CD1 LEU A 88 -0.500 -1.293 4.901 1.00 30.11 C ATOM 1422 CD2 LEU A 88 -1.232 0.612 6.348 1.00 71.52 C ATOM 0 H LEU A 88 -0.327 -1.704 6.971 1.00 5.34 H new ATOM 0 HA LEU A 88 2.146 -0.726 7.925 1.00 33.41 H new ATOM 0 HB2 LEU A 88 1.654 1.040 6.100 1.00 41.52 H new ATOM 0 HB3 LEU A 88 1.866 -0.633 5.623 1.00 41.52 H new ATOM 0 HG LEU A 88 -0.050 0.765 4.578 1.00 11.42 H new ATOM 0 HD11 LEU A 88 -1.459 -1.246 4.385 1.00 30.11 H new ATOM 0 HD12 LEU A 88 0.270 -1.631 4.207 1.00 30.11 H new ATOM 0 HD13 LEU A 88 -0.570 -1.993 5.734 1.00 30.11 H new ATOM 0 HD21 LEU A 88 -2.181 0.632 5.812 1.00 71.52 H new ATOM 0 HD22 LEU A 88 -1.320 -0.040 7.217 1.00 71.52 H new ATOM 0 HD23 LEU A 88 -0.979 1.620 6.675 1.00 71.52 H new ATOM 1434 N THR A 89 -0.403 0.758 9.094 1.00 11.42 N ATOM 1435 CA THR A 89 -0.879 1.832 9.957 1.00 1.13 C ATOM 1436 C THR A 89 -0.165 1.813 11.304 1.00 31.40 C ATOM 1437 O THR A 89 0.334 2.839 11.767 1.00 74.51 O ATOM 1438 CB THR A 89 -2.399 1.732 10.193 1.00 43.00 C ATOM 1439 OG1 THR A 89 -3.104 2.309 9.089 1.00 14.40 O ATOM 1440 CG2 THR A 89 -2.794 2.439 11.480 1.00 32.41 C ATOM 0 H THR A 89 -1.053 -0.021 8.993 1.00 11.42 H new ATOM 0 HA THR A 89 -0.659 2.769 9.445 1.00 1.13 H new ATOM 0 HB THR A 89 -2.663 0.678 10.281 1.00 43.00 H new ATOM 0 HG1 THR A 89 -3.324 1.609 8.440 1.00 14.40 H new ATOM 0 HG21 THR A 89 -3.871 2.355 11.625 1.00 32.41 H new ATOM 0 HG22 THR A 89 -2.277 1.978 12.322 1.00 32.41 H new ATOM 0 HG23 THR A 89 -2.517 3.491 11.417 1.00 32.41 H new ATOM 1448 N SER A 90 -0.119 0.640 11.927 1.00 74.21 N ATOM 1449 CA SER A 90 0.531 0.488 13.223 1.00 0.10 C ATOM 1450 C SER A 90 2.049 0.474 13.070 1.00 22.04 C ATOM 1451 O SER A 90 2.777 0.918 13.958 1.00 2.41 O ATOM 1452 CB SER A 90 0.064 -0.799 13.905 1.00 40.24 C ATOM 1453 OG SER A 90 1.024 -1.258 14.841 1.00 74.33 O ATOM 0 H SER A 90 -0.524 -0.219 11.555 1.00 74.21 H new ATOM 0 HA SER A 90 0.253 1.340 13.843 1.00 0.10 H new ATOM 0 HB2 SER A 90 -0.886 -0.622 14.410 1.00 40.24 H new ATOM 0 HB3 SER A 90 -0.113 -1.569 13.154 1.00 40.24 H new ATOM 0 HG SER A 90 0.701 -2.081 15.264 1.00 74.33 H new ATOM 1459 N ILE A 91 2.519 -0.040 11.939 1.00 75.00 N ATOM 1460 CA ILE A 91 3.949 -0.111 11.668 1.00 62.14 C ATOM 1461 C ILE A 91 4.525 1.273 11.385 1.00 24.42 C ATOM 1462 O ILE A 91 5.589 1.628 11.892 1.00 52.14 O ATOM 1463 CB ILE A 91 4.251 -1.034 10.472 1.00 32.55 C ATOM 1464 CG1 ILE A 91 3.701 -2.438 10.733 1.00 71.12 C ATOM 1465 CG2 ILE A 91 5.748 -1.086 10.209 1.00 62.33 C ATOM 1466 CD1 ILE A 91 3.648 -3.306 9.495 1.00 14.22 C ATOM 0 H ILE A 91 1.930 -0.414 11.195 1.00 75.00 H new ATOM 0 HA ILE A 91 4.419 -0.522 12.562 1.00 62.14 H new ATOM 0 HB ILE A 91 3.760 -0.631 9.586 1.00 32.55 H new ATOM 0 HG12 ILE A 91 4.320 -2.928 11.484 1.00 71.12 H new ATOM 0 HG13 ILE A 91 2.698 -2.355 11.152 1.00 71.12 H new ATOM 0 HG21 ILE A 91 5.946 -1.742 9.361 1.00 62.33 H new ATOM 0 HG22 ILE A 91 6.113 -0.084 9.985 1.00 62.33 H new ATOM 0 HG23 ILE A 91 6.259 -1.470 11.092 1.00 62.33 H new ATOM 0 HD11 ILE A 91 3.248 -4.286 9.755 1.00 14.22 H new ATOM 0 HD12 ILE A 91 3.005 -2.838 8.750 1.00 14.22 H new ATOM 0 HD13 ILE A 91 4.652 -3.420 9.087 1.00 14.22 H new ATOM 1478 N SER A 92 3.814 2.049 10.575 1.00 14.22 N ATOM 1479 CA SER A 92 4.255 3.394 10.224 1.00 55.23 C ATOM 1480 C SER A 92 4.130 4.337 11.417 1.00 62.44 C ATOM 1481 O SER A 92 3.543 3.985 12.439 1.00 3.31 O ATOM 1482 CB SER A 92 3.437 3.930 9.047 1.00 14.41 C ATOM 1483 OG SER A 92 3.918 5.195 8.626 1.00 14.44 O ATOM 0 H SER A 92 2.930 1.770 10.149 1.00 14.22 H new ATOM 0 HA SER A 92 5.305 3.341 9.935 1.00 55.23 H new ATOM 0 HB2 SER A 92 3.483 3.225 8.217 1.00 14.41 H new ATOM 0 HB3 SER A 92 2.389 4.014 9.336 1.00 14.41 H new ATOM 0 HG SER A 92 3.380 5.515 7.872 1.00 14.44 H new