USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 878 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 Single : A 13 SER OG : rot 36:sc= 0.0483 USER MOD Single : A 16 GLN : amide:sc=-0.00477 X(o=-0.0048,f=-0.36) USER MOD Single : A 17 THR OG1 : rot 81:sc= 0.991 USER MOD Single : A 19 THR OG1 : rot 76:sc= 0.58 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 0.644 (180deg=0.387) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0402 K(o=-0.04,f=-1.8) USER MOD Single : A 44 SER OG : rot -140:sc= -0.344 USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= -2.77! (180deg=-4.69!) USER MOD Single : A 52 CYS SG : rot 57:sc= -1.23 USER MOD Single : A 62 THR OG1 : rot 90:sc= 1.02 USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= -0.0139 (180deg=-0.164) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -112:sc= -1.47 USER MOD Single : A 78 SER OG : rot 65:sc= 1.23 USER MOD Single : A 79 ASN : amide:sc= 1.64 K(o=1.6,f=-6.1!) USER MOD Single : A 87 CYS SG : rot 163:sc= -2.02! USER MOD Single : A 90 SER OG : rot 150:sc= -0.204 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.024) USER MOD Single : A 105 GLN : amide:sc=-0.00638 K(o=-0.0064,f=-0.57) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 108 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.069) USER MOD Single : A 109 LYS NZ :NH3+ -176:sc= 1.66 (180deg=1.64) USER MOD Single : A 112 SER OG : rot -118:sc= 0.717 USER MOD Single : A 113 SER OG : rot 77:sc= 0.639 USER MOD Single : A 116 THR OG1 : rot 76:sc= 0.8 USER MOD Single : A 118 ASN : amide:sc= 0.866 K(o=0.87,f=-0.053) USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0428) USER MOD Single : A 121 THR OG1 : rot -86:sc= 0.925 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 2.900 6.721 -13.243 1.00 61.32 N ATOM 196 CA SER A 13 1.850 6.029 -12.484 1.00 2.25 C ATOM 197 C SER A 13 2.194 5.955 -10.994 1.00 53.10 C ATOM 198 O SER A 13 1.311 5.818 -10.146 1.00 73.23 O ATOM 199 CB SER A 13 1.629 4.616 -13.042 1.00 44.14 C ATOM 200 OG SER A 13 1.245 4.658 -14.410 1.00 53.24 O ATOM 0 HA SER A 13 0.930 6.604 -12.592 1.00 2.25 H new ATOM 0 HB2 SER A 13 2.544 4.033 -12.936 1.00 44.14 H new ATOM 0 HB3 SER A 13 0.859 4.109 -12.461 1.00 44.14 H new ATOM 0 HG SER A 13 1.711 5.394 -14.858 1.00 53.24 H new ATOM 206 N ALA A 14 3.481 6.042 -10.678 1.00 33.33 N ATOM 207 CA ALA A 14 3.929 6.086 -9.286 1.00 61.53 C ATOM 208 C ALA A 14 3.692 7.478 -8.682 1.00 71.40 C ATOM 209 O ALA A 14 3.338 7.605 -7.513 1.00 54.01 O ATOM 210 CB ALA A 14 5.400 5.698 -9.192 1.00 23.15 C ATOM 0 H ALA A 14 4.234 6.084 -11.364 1.00 33.33 H new ATOM 0 HA ALA A 14 3.345 5.367 -8.712 1.00 61.53 H new ATOM 0 HB1 ALA A 14 5.720 5.735 -8.151 1.00 23.15 H new ATOM 0 HB2 ALA A 14 5.535 4.687 -9.578 1.00 23.15 H new ATOM 0 HB3 ALA A 14 5.998 6.394 -9.780 1.00 23.15 H new ATOM 216 N GLU A 15 3.868 8.518 -9.501 1.00 44.25 N ATOM 217 CA GLU A 15 3.661 9.907 -9.064 1.00 34.51 C ATOM 218 C GLU A 15 2.219 10.149 -8.587 1.00 14.23 C ATOM 219 O GLU A 15 1.993 10.739 -7.524 1.00 61.14 O ATOM 220 CB GLU A 15 4.004 10.873 -10.208 1.00 54.35 C ATOM 221 CG GLU A 15 5.482 10.879 -10.588 1.00 1.54 C ATOM 222 CD GLU A 15 5.785 11.780 -11.777 1.00 54.11 C ATOM 223 OE1 GLU A 15 5.410 12.973 -11.741 1.00 73.41 O ATOM 224 OE2 GLU A 15 6.388 11.295 -12.759 1.00 32.33 O ATOM 0 H GLU A 15 4.155 8.427 -10.476 1.00 44.25 H new ATOM 0 HA GLU A 15 4.324 10.090 -8.218 1.00 34.51 H new ATOM 0 HB2 GLU A 15 3.414 10.606 -11.085 1.00 54.35 H new ATOM 0 HB3 GLU A 15 3.709 11.882 -9.920 1.00 54.35 H new ATOM 0 HG2 GLU A 15 6.071 11.207 -9.731 1.00 1.54 H new ATOM 0 HG3 GLU A 15 5.796 9.861 -10.820 1.00 1.54 H new ATOM 231 N GLN A 16 1.241 9.699 -9.375 1.00 21.31 N ATOM 232 CA GLN A 16 -0.172 9.813 -8.984 1.00 54.34 C ATOM 233 C GLN A 16 -0.450 9.028 -7.691 1.00 1.23 C ATOM 234 O GLN A 16 -1.218 9.470 -6.837 1.00 51.25 O ATOM 235 CB GLN A 16 -1.099 9.321 -10.111 1.00 65.40 C ATOM 236 CG GLN A 16 -0.922 7.849 -10.464 1.00 75.23 C ATOM 237 CD GLN A 16 -1.909 7.359 -11.513 1.00 3.43 C ATOM 238 OE1 GLN A 16 -2.347 8.110 -12.377 1.00 60.40 O ATOM 239 NE2 GLN A 16 -2.262 6.089 -11.449 1.00 62.31 N ATOM 0 H GLN A 16 1.395 9.255 -10.280 1.00 21.31 H new ATOM 0 HA GLN A 16 -0.379 10.867 -8.802 1.00 54.34 H new ATOM 0 HB2 GLN A 16 -2.134 9.491 -9.815 1.00 65.40 H new ATOM 0 HB3 GLN A 16 -0.920 9.922 -11.003 1.00 65.40 H new ATOM 0 HG2 GLN A 16 0.093 7.689 -10.827 1.00 75.23 H new ATOM 0 HG3 GLN A 16 -1.035 7.250 -9.561 1.00 75.23 H new ATOM 0 HE21 GLN A 16 -1.880 5.490 -10.718 1.00 62.31 H new ATOM 0 HE22 GLN A 16 -2.917 5.707 -12.131 1.00 62.31 H new ATOM 248 N THR A 17 0.199 7.872 -7.551 1.00 63.13 N ATOM 249 CA THR A 17 0.052 7.030 -6.355 1.00 73.31 C ATOM 250 C THR A 17 0.592 7.736 -5.104 1.00 51.32 C ATOM 251 O THR A 17 -0.067 7.760 -4.064 1.00 44.41 O ATOM 252 CB THR A 17 0.774 5.670 -6.528 1.00 35.44 C ATOM 253 OG1 THR A 17 0.246 4.978 -7.671 1.00 41.51 O ATOM 254 CG2 THR A 17 0.626 4.792 -5.288 1.00 55.23 C ATOM 0 H THR A 17 0.835 7.493 -8.252 1.00 63.13 H new ATOM 0 HA THR A 17 -1.015 6.850 -6.227 1.00 73.31 H new ATOM 0 HB THR A 17 1.835 5.874 -6.674 1.00 35.44 H new ATOM 0 HG1 THR A 17 0.663 5.327 -8.486 1.00 41.51 H new ATOM 0 HG21 THR A 17 1.145 3.847 -5.447 1.00 55.23 H new ATOM 0 HG22 THR A 17 1.057 5.303 -4.427 1.00 55.23 H new ATOM 0 HG23 THR A 17 -0.431 4.599 -5.103 1.00 55.23 H new ATOM 262 N VAL A 18 1.790 8.319 -5.208 1.00 42.02 N ATOM 263 CA VAL A 18 2.361 9.110 -4.109 1.00 50.31 C ATOM 264 C VAL A 18 1.389 10.221 -3.684 1.00 15.10 C ATOM 265 O VAL A 18 1.026 10.338 -2.511 1.00 14.31 O ATOM 266 CB VAL A 18 3.721 9.752 -4.505 1.00 32.23 C ATOM 267 CG1 VAL A 18 4.283 10.600 -3.363 1.00 42.21 C ATOM 268 CG2 VAL A 18 4.729 8.684 -4.926 1.00 71.14 C ATOM 0 H VAL A 18 2.382 8.260 -6.036 1.00 42.02 H new ATOM 0 HA VAL A 18 2.529 8.425 -3.278 1.00 50.31 H new ATOM 0 HB VAL A 18 3.542 10.407 -5.358 1.00 32.23 H new ATOM 0 HG11 VAL A 18 5.234 11.036 -3.668 1.00 42.21 H new ATOM 0 HG12 VAL A 18 3.579 11.396 -3.121 1.00 42.21 H new ATOM 0 HG13 VAL A 18 4.437 9.972 -2.485 1.00 42.21 H new ATOM 0 HG21 VAL A 18 5.671 9.160 -5.198 1.00 71.14 H new ATOM 0 HG22 VAL A 18 4.896 7.995 -4.098 1.00 71.14 H new ATOM 0 HG23 VAL A 18 4.340 8.134 -5.783 1.00 71.14 H new ATOM 278 N THR A 19 0.957 11.019 -4.662 1.00 63.53 N ATOM 279 CA THR A 19 -0.023 12.092 -4.431 1.00 64.21 C ATOM 280 C THR A 19 -1.292 11.552 -3.753 1.00 74.31 C ATOM 281 O THR A 19 -1.858 12.189 -2.863 1.00 73.21 O ATOM 282 CB THR A 19 -0.431 12.782 -5.761 1.00 4.33 C ATOM 283 OG1 THR A 19 0.738 13.204 -6.485 1.00 42.12 O ATOM 284 CG2 THR A 19 -1.330 13.990 -5.504 1.00 51.41 C ATOM 0 H THR A 19 1.271 10.945 -5.630 1.00 63.53 H new ATOM 0 HA THR A 19 0.460 12.819 -3.777 1.00 64.21 H new ATOM 0 HB THR A 19 -0.985 12.054 -6.354 1.00 4.33 H new ATOM 0 HG1 THR A 19 1.161 12.426 -6.905 1.00 42.12 H new ATOM 0 HG21 THR A 19 -1.599 14.452 -6.454 1.00 51.41 H new ATOM 0 HG22 THR A 19 -2.235 13.667 -4.988 1.00 51.41 H new ATOM 0 HG23 THR A 19 -0.799 14.714 -4.886 1.00 51.41 H new ATOM 292 N TRP A 20 -1.721 10.368 -4.183 1.00 61.35 N ATOM 293 CA TRP A 20 -2.920 9.718 -3.645 1.00 12.33 C ATOM 294 C TRP A 20 -2.747 9.352 -2.157 1.00 23.11 C ATOM 295 O TRP A 20 -3.636 9.597 -1.340 1.00 24.14 O ATOM 296 CB TRP A 20 -3.238 8.472 -4.483 1.00 34.41 C ATOM 297 CG TRP A 20 -4.513 7.777 -4.100 1.00 42.21 C ATOM 298 CD1 TRP A 20 -5.727 8.354 -3.860 1.00 12.43 C ATOM 299 CD2 TRP A 20 -4.699 6.367 -3.938 1.00 62.41 C ATOM 300 NE1 TRP A 20 -6.653 7.387 -3.551 1.00 73.43 N ATOM 301 CE2 TRP A 20 -6.045 6.161 -3.593 1.00 42.34 C ATOM 302 CE3 TRP A 20 -3.854 5.260 -4.052 1.00 31.15 C ATOM 303 CZ2 TRP A 20 -6.568 4.896 -3.358 1.00 2.41 C ATOM 304 CZ3 TRP A 20 -4.374 4.002 -3.820 1.00 40.23 C ATOM 305 CH2 TRP A 20 -5.720 3.829 -3.479 1.00 35.10 C ATOM 0 H TRP A 20 -1.251 9.831 -4.912 1.00 61.35 H new ATOM 0 HA TRP A 20 -3.754 10.417 -3.705 1.00 12.33 H new ATOM 0 HB2 TRP A 20 -3.296 8.760 -5.533 1.00 34.41 H new ATOM 0 HB3 TRP A 20 -2.412 7.767 -4.391 1.00 34.41 H new ATOM 0 HD1 TRP A 20 -5.929 9.414 -3.906 1.00 12.43 H new ATOM 0 HE1 TRP A 20 -7.634 7.555 -3.327 1.00 73.43 H new ATOM 0 HE3 TRP A 20 -2.814 5.386 -4.316 1.00 31.15 H new ATOM 0 HZ2 TRP A 20 -7.605 4.760 -3.090 1.00 2.41 H new ATOM 0 HZ3 TRP A 20 -3.732 3.138 -3.903 1.00 40.23 H new ATOM 0 HH2 TRP A 20 -6.098 2.832 -3.308 1.00 35.10 H new ATOM 316 N LEU A 21 -1.596 8.780 -1.807 1.00 31.13 N ATOM 317 CA LEU A 21 -1.291 8.447 -0.408 1.00 3.41 C ATOM 318 C LEU A 21 -1.255 9.711 0.471 1.00 11.33 C ATOM 319 O LEU A 21 -1.703 9.703 1.624 1.00 54.22 O ATOM 320 CB LEU A 21 0.051 7.705 -0.315 1.00 3.11 C ATOM 321 CG LEU A 21 0.126 6.372 -1.084 1.00 72.54 C ATOM 322 CD1 LEU A 21 1.500 5.727 -0.914 1.00 74.30 C ATOM 323 CD2 LEU A 21 -0.976 5.416 -0.629 1.00 53.02 C ATOM 0 H LEU A 21 -0.858 8.536 -2.468 1.00 31.13 H new ATOM 0 HA LEU A 21 -2.085 7.797 -0.039 1.00 3.41 H new ATOM 0 HB2 LEU A 21 0.837 8.363 -0.686 1.00 3.11 H new ATOM 0 HB3 LEU A 21 0.267 7.511 0.736 1.00 3.11 H new ATOM 0 HG LEU A 21 -0.025 6.585 -2.142 1.00 72.54 H new ATOM 0 HD11 LEU A 21 1.531 4.787 -1.465 1.00 74.30 H new ATOM 0 HD12 LEU A 21 2.267 6.399 -1.299 1.00 74.30 H new ATOM 0 HD13 LEU A 21 1.683 5.534 0.143 1.00 74.30 H new ATOM 0 HD21 LEU A 21 -0.901 4.483 -1.187 1.00 53.02 H new ATOM 0 HD22 LEU A 21 -0.864 5.212 0.436 1.00 53.02 H new ATOM 0 HD23 LEU A 21 -1.950 5.870 -0.811 1.00 53.02 H new ATOM 335 N ILE A 22 -0.725 10.797 -0.087 1.00 1.40 N ATOM 336 CA ILE A 22 -0.651 12.079 0.621 1.00 10.14 C ATOM 337 C ILE A 22 -2.048 12.675 0.867 1.00 32.42 C ATOM 338 O ILE A 22 -2.406 12.982 2.006 1.00 14.52 O ATOM 339 CB ILE A 22 0.204 13.104 -0.165 1.00 14.10 C ATOM 340 CG1 ILE A 22 1.628 12.562 -0.377 1.00 21.12 C ATOM 341 CG2 ILE A 22 0.241 14.453 0.557 1.00 73.51 C ATOM 342 CD1 ILE A 22 2.502 13.451 -1.237 1.00 54.22 C ATOM 0 H ILE A 22 -0.338 10.818 -1.031 1.00 1.40 H new ATOM 0 HA ILE A 22 -0.180 11.876 1.583 1.00 10.14 H new ATOM 0 HB ILE A 22 -0.257 13.258 -1.141 1.00 14.10 H new ATOM 0 HG12 ILE A 22 2.105 12.431 0.594 1.00 21.12 H new ATOM 0 HG13 ILE A 22 1.566 11.576 -0.837 1.00 21.12 H new ATOM 0 HG21 ILE A 22 0.848 15.155 -0.015 1.00 73.51 H new ATOM 0 HG22 ILE A 22 -0.773 14.843 0.652 1.00 73.51 H new ATOM 0 HG23 ILE A 22 0.674 14.323 1.549 1.00 73.51 H new ATOM 0 HD11 ILE A 22 3.489 13.001 -1.340 1.00 54.22 H new ATOM 0 HD12 ILE A 22 2.050 13.562 -2.222 1.00 54.22 H new ATOM 0 HD13 ILE A 22 2.597 14.431 -0.769 1.00 54.22 H new ATOM 354 N THR A 23 -2.836 12.815 -0.204 1.00 5.33 N ATOM 355 CA THR A 23 -4.167 13.451 -0.128 1.00 72.13 C ATOM 356 C THR A 23 -5.126 12.700 0.814 1.00 45.52 C ATOM 357 O THR A 23 -5.990 13.311 1.447 1.00 2.41 O ATOM 358 CB THR A 23 -4.827 13.588 -1.526 1.00 32.02 C ATOM 359 OG1 THR A 23 -6.074 14.293 -1.427 1.00 43.13 O ATOM 360 CG2 THR A 23 -5.074 12.227 -2.166 1.00 51.03 C ATOM 0 H THR A 23 -2.579 12.497 -1.139 1.00 5.33 H new ATOM 0 HA THR A 23 -3.991 14.446 0.280 1.00 72.13 H new ATOM 0 HB THR A 23 -4.135 14.149 -2.155 1.00 32.02 H new ATOM 0 HG1 THR A 23 -6.477 14.372 -2.317 1.00 43.13 H new ATOM 0 HG21 THR A 23 -5.537 12.363 -3.143 1.00 51.03 H new ATOM 0 HG22 THR A 23 -4.126 11.703 -2.284 1.00 51.03 H new ATOM 0 HG23 THR A 23 -5.736 11.640 -1.529 1.00 51.03 H new ATOM 368 N LEU A 24 -4.978 11.377 0.902 1.00 54.32 N ATOM 369 CA LEU A 24 -5.783 10.572 1.836 1.00 31.40 C ATOM 370 C LEU A 24 -5.302 10.737 3.288 1.00 72.12 C ATOM 371 O LEU A 24 -6.039 10.455 4.233 1.00 53.32 O ATOM 372 CB LEU A 24 -5.745 9.088 1.438 1.00 35.22 C ATOM 373 CG LEU A 24 -6.473 8.740 0.127 1.00 33.13 C ATOM 374 CD1 LEU A 24 -6.297 7.267 -0.213 1.00 32.41 C ATOM 375 CD2 LEU A 24 -7.959 9.086 0.217 1.00 40.32 C ATOM 0 H LEU A 24 -4.315 10.839 0.344 1.00 54.32 H new ATOM 0 HA LEU A 24 -6.810 10.934 1.777 1.00 31.40 H new ATOM 0 HB2 LEU A 24 -4.703 8.779 1.349 1.00 35.22 H new ATOM 0 HB3 LEU A 24 -6.184 8.501 2.245 1.00 35.22 H new ATOM 0 HG LEU A 24 -6.028 9.337 -0.669 1.00 33.13 H new ATOM 0 HD11 LEU A 24 -6.820 7.043 -1.143 1.00 32.41 H new ATOM 0 HD12 LEU A 24 -5.236 7.045 -0.330 1.00 32.41 H new ATOM 0 HD13 LEU A 24 -6.709 6.656 0.591 1.00 32.41 H new ATOM 0 HD21 LEU A 24 -8.450 8.830 -0.722 1.00 40.32 H new ATOM 0 HD22 LEU A 24 -8.415 8.522 1.030 1.00 40.32 H new ATOM 0 HD23 LEU A 24 -8.073 10.153 0.407 1.00 40.32 H new ATOM 387 N GLY A 25 -4.065 11.200 3.456 1.00 75.21 N ATOM 388 CA GLY A 25 -3.510 11.397 4.790 1.00 43.33 C ATOM 389 C GLY A 25 -2.945 10.121 5.414 1.00 11.22 C ATOM 390 O GLY A 25 -2.854 10.010 6.638 1.00 62.42 O ATOM 0 H GLY A 25 -3.434 11.443 2.692 1.00 75.21 H new ATOM 0 HA2 GLY A 25 -2.720 12.146 4.738 1.00 43.33 H new ATOM 0 HA3 GLY A 25 -4.287 11.797 5.442 1.00 43.33 H new ATOM 394 N VAL A 26 -2.570 9.153 4.576 1.00 73.41 N ATOM 395 CA VAL A 26 -1.960 7.901 5.057 1.00 72.13 C ATOM 396 C VAL A 26 -0.427 7.956 4.957 1.00 53.54 C ATOM 397 O VAL A 26 0.277 7.108 5.507 1.00 45.04 O ATOM 398 CB VAL A 26 -2.496 6.673 4.274 1.00 62.21 C ATOM 399 CG1 VAL A 26 -4.020 6.602 4.373 1.00 44.20 C ATOM 400 CG2 VAL A 26 -2.046 6.710 2.811 1.00 54.52 C ATOM 0 H VAL A 26 -2.675 9.207 3.563 1.00 73.41 H new ATOM 0 HA VAL A 26 -2.238 7.791 6.105 1.00 72.13 H new ATOM 0 HB VAL A 26 -2.078 5.773 4.726 1.00 62.21 H new ATOM 0 HG11 VAL A 26 -4.381 5.735 3.819 1.00 44.20 H new ATOM 0 HG12 VAL A 26 -4.313 6.511 5.419 1.00 44.20 H new ATOM 0 HG13 VAL A 26 -4.455 7.509 3.952 1.00 44.20 H new ATOM 0 HG21 VAL A 26 -2.437 5.837 2.288 1.00 54.52 H new ATOM 0 HG22 VAL A 26 -2.423 7.616 2.337 1.00 54.52 H new ATOM 0 HG23 VAL A 26 -0.957 6.703 2.765 1.00 54.52 H new ATOM 410 N LEU A 27 0.071 8.966 4.246 1.00 32.35 N ATOM 411 CA LEU A 27 1.511 9.206 4.104 1.00 35.12 C ATOM 412 C LEU A 27 1.816 10.711 4.200 1.00 31.31 C ATOM 413 O LEU A 27 1.089 11.538 3.639 1.00 50.04 O ATOM 414 CB LEU A 27 2.012 8.645 2.766 1.00 31.32 C ATOM 415 CG LEU A 27 3.512 8.849 2.476 1.00 43.34 C ATOM 416 CD1 LEU A 27 4.375 8.228 3.572 1.00 53.45 C ATOM 417 CD2 LEU A 27 3.880 8.273 1.108 1.00 44.42 C ATOM 0 H LEU A 27 -0.510 9.643 3.751 1.00 32.35 H new ATOM 0 HA LEU A 27 2.031 8.695 4.914 1.00 35.12 H new ATOM 0 HB2 LEU A 27 1.797 7.577 2.738 1.00 31.32 H new ATOM 0 HB3 LEU A 27 1.439 9.107 1.962 1.00 31.32 H new ATOM 0 HG LEU A 27 3.708 9.921 2.463 1.00 43.34 H new ATOM 0 HD11 LEU A 27 5.428 8.388 3.340 1.00 53.45 H new ATOM 0 HD12 LEU A 27 4.139 8.694 4.529 1.00 53.45 H new ATOM 0 HD13 LEU A 27 4.175 7.158 3.631 1.00 53.45 H new ATOM 0 HD21 LEU A 27 4.943 8.427 0.922 1.00 44.42 H new ATOM 0 HD22 LEU A 27 3.660 7.206 1.091 1.00 44.42 H new ATOM 0 HD23 LEU A 27 3.300 8.775 0.334 1.00 44.42 H new ATOM 429 N GLU A 28 2.887 11.060 4.911 1.00 24.11 N ATOM 430 CA GLU A 28 3.250 12.469 5.125 1.00 11.40 C ATOM 431 C GLU A 28 3.896 13.093 3.873 1.00 32.02 C ATOM 432 O GLU A 28 4.524 12.400 3.070 1.00 11.54 O ATOM 433 CB GLU A 28 4.185 12.608 6.344 1.00 42.30 C ATOM 434 CG GLU A 28 5.523 11.882 6.204 1.00 13.13 C ATOM 435 CD GLU A 28 6.359 11.935 7.478 1.00 20.11 C ATOM 436 OE1 GLU A 28 6.998 12.979 7.743 1.00 73.23 O ATOM 437 OE2 GLU A 28 6.376 10.939 8.233 1.00 60.11 O ATOM 0 H GLU A 28 3.520 10.392 5.350 1.00 24.11 H new ATOM 0 HA GLU A 28 2.329 13.017 5.324 1.00 11.40 H new ATOM 0 HB2 GLU A 28 4.377 13.666 6.519 1.00 42.30 H new ATOM 0 HB3 GLU A 28 3.670 12.227 7.226 1.00 42.30 H new ATOM 0 HG2 GLU A 28 5.340 10.841 5.938 1.00 13.13 H new ATOM 0 HG3 GLU A 28 6.088 12.326 5.385 1.00 13.13 H new ATOM 444 N SER A 29 3.728 14.408 3.718 1.00 40.04 N ATOM 445 CA SER A 29 4.251 15.139 2.552 1.00 1.33 C ATOM 446 C SER A 29 5.787 15.058 2.457 1.00 73.02 C ATOM 447 O SER A 29 6.490 15.217 3.459 1.00 72.30 O ATOM 448 CB SER A 29 3.816 16.612 2.613 1.00 61.34 C ATOM 449 OG SER A 29 4.454 17.390 1.606 1.00 1.22 O ATOM 0 H SER A 29 3.231 14.995 4.388 1.00 40.04 H new ATOM 0 HA SER A 29 3.837 14.666 1.662 1.00 1.33 H new ATOM 0 HB2 SER A 29 2.735 16.678 2.493 1.00 61.34 H new ATOM 0 HB3 SER A 29 4.054 17.022 3.595 1.00 61.34 H new ATOM 0 HG SER A 29 4.154 18.321 1.672 1.00 1.22 H new ATOM 455 N PRO A 30 6.326 14.825 1.240 1.00 61.30 N ATOM 456 CA PRO A 30 7.780 14.707 1.012 1.00 53.41 C ATOM 457 C PRO A 30 8.557 15.984 1.374 1.00 14.03 C ATOM 458 O PRO A 30 8.086 17.103 1.154 1.00 43.01 O ATOM 459 CB PRO A 30 7.891 14.423 -0.496 1.00 4.43 C ATOM 460 CG PRO A 30 6.602 14.904 -1.073 1.00 21.24 C ATOM 461 CD PRO A 30 5.567 14.656 -0.012 1.00 31.42 C ATOM 0 HA PRO A 30 8.215 13.932 1.643 1.00 53.41 H new ATOM 0 HB2 PRO A 30 8.740 14.947 -0.935 1.00 4.43 H new ATOM 0 HB3 PRO A 30 8.038 13.360 -0.688 1.00 4.43 H new ATOM 0 HG2 PRO A 30 6.657 15.963 -1.327 1.00 21.24 H new ATOM 0 HG3 PRO A 30 6.359 14.368 -1.991 1.00 21.24 H new ATOM 0 HD2 PRO A 30 4.741 15.364 -0.081 1.00 31.42 H new ATOM 0 HD3 PRO A 30 5.139 13.657 -0.092 1.00 31.42 H new ATOM 469 N LYS A 31 9.758 15.803 1.917 1.00 34.51 N ATOM 470 CA LYS A 31 10.593 16.922 2.369 1.00 20.13 C ATOM 471 C LYS A 31 11.545 17.385 1.253 1.00 41.13 C ATOM 472 O LYS A 31 12.051 18.510 1.273 1.00 13.52 O ATOM 473 CB LYS A 31 11.391 16.521 3.625 1.00 54.32 C ATOM 474 CG LYS A 31 10.520 16.144 4.828 1.00 1.35 C ATOM 475 CD LYS A 31 9.798 14.810 4.632 1.00 3.31 C ATOM 476 CE LYS A 31 8.786 14.530 5.737 1.00 24.33 C ATOM 477 NZ LYS A 31 9.424 14.328 7.065 1.00 1.25 N ATOM 0 H LYS A 31 10.181 14.885 2.057 1.00 34.51 H new ATOM 0 HA LYS A 31 9.937 17.755 2.621 1.00 20.13 H new ATOM 0 HB2 LYS A 31 12.035 15.677 3.378 1.00 54.32 H new ATOM 0 HB3 LYS A 31 12.043 17.348 3.907 1.00 54.32 H new ATOM 0 HG2 LYS A 31 11.143 16.089 5.721 1.00 1.35 H new ATOM 0 HG3 LYS A 31 9.785 16.930 5.001 1.00 1.35 H new ATOM 0 HD2 LYS A 31 9.288 14.814 3.669 1.00 3.31 H new ATOM 0 HD3 LYS A 31 10.531 14.004 4.602 1.00 3.31 H new ATOM 0 HE2 LYS A 31 8.084 15.361 5.799 1.00 24.33 H new ATOM 0 HE3 LYS A 31 8.208 13.643 5.478 1.00 24.33 H new ATOM 0 HZ1 LYS A 31 8.774 13.806 7.687 1.00 1.25 H new ATOM 0 HZ2 LYS A 31 10.303 13.784 6.949 1.00 1.25 H new ATOM 0 HZ3 LYS A 31 9.642 15.252 7.490 1.00 1.25 H new ATOM 491 N LYS A 32 11.784 16.500 0.288 1.00 52.33 N ATOM 492 CA LYS A 32 12.611 16.810 -0.885 1.00 4.24 C ATOM 493 C LYS A 32 11.848 16.500 -2.181 1.00 41.24 C ATOM 494 O LYS A 32 10.864 15.756 -2.169 1.00 14.33 O ATOM 495 CB LYS A 32 13.917 15.997 -0.851 1.00 63.14 C ATOM 496 CG LYS A 32 14.779 16.255 0.383 1.00 25.33 C ATOM 497 CD LYS A 32 15.237 17.709 0.468 1.00 43.31 C ATOM 498 CE LYS A 32 16.074 17.970 1.715 1.00 31.43 C ATOM 499 NZ LYS A 32 16.490 19.393 1.812 1.00 53.33 N ATOM 0 H LYS A 32 11.413 15.550 0.293 1.00 52.33 H new ATOM 0 HA LYS A 32 12.850 17.873 -0.859 1.00 4.24 H new ATOM 0 HB2 LYS A 32 13.673 14.936 -0.895 1.00 63.14 H new ATOM 0 HB3 LYS A 32 14.500 16.228 -1.743 1.00 63.14 H new ATOM 0 HG2 LYS A 32 14.214 16.000 1.280 1.00 25.33 H new ATOM 0 HG3 LYS A 32 15.651 15.601 0.359 1.00 25.33 H new ATOM 0 HD2 LYS A 32 15.820 17.958 -0.419 1.00 43.31 H new ATOM 0 HD3 LYS A 32 14.366 18.364 0.472 1.00 43.31 H new ATOM 0 HE2 LYS A 32 15.501 17.698 2.601 1.00 31.43 H new ATOM 0 HE3 LYS A 32 16.958 17.333 1.699 1.00 31.43 H new ATOM 0 HZ1 LYS A 32 17.057 19.531 2.673 1.00 53.33 H new ATOM 0 HZ2 LYS A 32 17.058 19.646 0.979 1.00 53.33 H new ATOM 0 HZ3 LYS A 32 15.646 19.999 1.853 1.00 53.33 H new ATOM 513 N THR A 33 12.299 17.073 -3.294 1.00 73.40 N ATOM 514 CA THR A 33 11.688 16.806 -4.602 1.00 73.33 C ATOM 515 C THR A 33 11.904 15.340 -5.010 1.00 50.33 C ATOM 516 O THR A 33 13.007 14.952 -5.410 1.00 35.23 O ATOM 517 CB THR A 33 12.267 17.730 -5.707 1.00 22.32 C ATOM 518 OG1 THR A 33 12.156 19.108 -5.313 1.00 34.22 O ATOM 519 CG2 THR A 33 11.540 17.529 -7.034 1.00 11.31 C ATOM 0 H THR A 33 13.083 17.724 -3.321 1.00 73.40 H new ATOM 0 HA THR A 33 10.622 17.009 -4.503 1.00 73.33 H new ATOM 0 HB THR A 33 13.317 17.467 -5.839 1.00 22.32 H new ATOM 0 HG1 THR A 33 12.526 19.680 -6.017 1.00 34.22 H new ATOM 0 HG21 THR A 33 11.968 18.190 -7.787 1.00 11.31 H new ATOM 0 HG22 THR A 33 11.649 16.493 -7.356 1.00 11.31 H new ATOM 0 HG23 THR A 33 10.482 17.760 -6.908 1.00 11.31 H new ATOM 527 N ILE A 34 10.850 14.532 -4.901 1.00 2.31 N ATOM 528 CA ILE A 34 10.940 13.092 -5.169 1.00 32.33 C ATOM 529 C ILE A 34 11.328 12.804 -6.628 1.00 51.12 C ATOM 530 O ILE A 34 10.502 12.916 -7.536 1.00 63.45 O ATOM 531 CB ILE A 34 9.603 12.370 -4.849 1.00 5.32 C ATOM 532 CG1 ILE A 34 9.211 12.576 -3.377 1.00 34.31 C ATOM 533 CG2 ILE A 34 9.698 10.878 -5.176 1.00 31.01 C ATOM 534 CD1 ILE A 34 7.904 11.908 -2.996 1.00 71.35 C ATOM 0 H ILE A 34 9.920 14.849 -4.628 1.00 2.31 H new ATOM 0 HA ILE A 34 11.722 12.708 -4.514 1.00 32.33 H new ATOM 0 HB ILE A 34 8.825 12.808 -5.475 1.00 5.32 H new ATOM 0 HG12 ILE A 34 10.006 12.188 -2.741 1.00 34.31 H new ATOM 0 HG13 ILE A 34 9.135 13.645 -3.176 1.00 34.31 H new ATOM 0 HG21 ILE A 34 8.750 10.393 -4.944 1.00 31.01 H new ATOM 0 HG22 ILE A 34 9.920 10.751 -6.236 1.00 31.01 H new ATOM 0 HG23 ILE A 34 10.492 10.425 -4.582 1.00 31.01 H new ATOM 0 HD11 ILE A 34 7.692 12.096 -1.943 1.00 71.35 H new ATOM 0 HD12 ILE A 34 7.097 12.313 -3.607 1.00 71.35 H new ATOM 0 HD13 ILE A 34 7.982 10.834 -3.164 1.00 71.35 H new ATOM 546 N SER A 35 12.589 12.452 -6.849 1.00 43.34 N ATOM 547 CA SER A 35 13.066 12.065 -8.182 1.00 41.12 C ATOM 548 C SER A 35 12.605 10.647 -8.534 1.00 62.55 C ATOM 549 O SER A 35 12.208 10.369 -9.666 1.00 52.41 O ATOM 550 CB SER A 35 14.598 12.136 -8.246 1.00 74.21 C ATOM 551 OG SER A 35 15.197 11.335 -7.233 1.00 64.11 O ATOM 0 H SER A 35 13.306 12.425 -6.124 1.00 43.34 H new ATOM 0 HA SER A 35 12.644 12.763 -8.904 1.00 41.12 H new ATOM 0 HB2 SER A 35 14.939 11.801 -9.226 1.00 74.21 H new ATOM 0 HB3 SER A 35 14.921 13.171 -8.132 1.00 74.21 H new ATOM 0 HG SER A 35 16.173 11.399 -7.300 1.00 64.11 H new ATOM 557 N ASP A 36 12.656 9.761 -7.546 1.00 52.42 N ATOM 558 CA ASP A 36 12.278 8.357 -7.724 1.00 42.33 C ATOM 559 C ASP A 36 11.012 8.005 -6.910 1.00 54.45 C ATOM 560 O ASP A 36 11.096 7.618 -5.743 1.00 2.44 O ATOM 561 CB ASP A 36 13.454 7.457 -7.319 1.00 44.52 C ATOM 562 CG ASP A 36 13.997 7.812 -5.942 1.00 25.44 C ATOM 563 OD1 ASP A 36 14.560 8.919 -5.787 1.00 3.34 O ATOM 564 OD2 ASP A 36 13.846 7.003 -5.005 1.00 71.02 O ATOM 0 H ASP A 36 12.959 9.991 -6.600 1.00 52.42 H new ATOM 0 HA ASP A 36 12.042 8.190 -8.775 1.00 42.33 H new ATOM 0 HB2 ASP A 36 13.132 6.416 -7.324 1.00 44.52 H new ATOM 0 HB3 ASP A 36 14.251 7.548 -8.057 1.00 44.52 H new ATOM 569 N PRO A 37 9.815 8.143 -7.513 1.00 42.21 N ATOM 570 CA PRO A 37 8.549 7.825 -6.829 1.00 4.22 C ATOM 571 C PRO A 37 8.405 6.324 -6.533 1.00 33.40 C ATOM 572 O PRO A 37 7.863 5.933 -5.501 1.00 13.11 O ATOM 573 CB PRO A 37 7.477 8.302 -7.823 1.00 22.52 C ATOM 574 CG PRO A 37 8.151 8.270 -9.154 1.00 20.22 C ATOM 575 CD PRO A 37 9.592 8.619 -8.894 1.00 30.42 C ATOM 0 HA PRO A 37 8.476 8.304 -5.853 1.00 4.22 H new ATOM 0 HB2 PRO A 37 6.604 7.650 -7.806 1.00 22.52 H new ATOM 0 HB3 PRO A 37 7.130 9.306 -7.579 1.00 22.52 H new ATOM 0 HG2 PRO A 37 8.064 7.285 -9.612 1.00 20.22 H new ATOM 0 HG3 PRO A 37 7.694 8.983 -9.841 1.00 20.22 H new ATOM 0 HD2 PRO A 37 10.259 8.126 -9.602 1.00 30.42 H new ATOM 0 HD3 PRO A 37 9.768 9.691 -8.983 1.00 30.42 H new ATOM 583 N GLU A 38 8.910 5.493 -7.444 1.00 63.11 N ATOM 584 CA GLU A 38 8.865 4.034 -7.284 1.00 31.12 C ATOM 585 C GLU A 38 9.698 3.569 -6.075 1.00 11.42 C ATOM 586 O GLU A 38 9.218 2.806 -5.233 1.00 45.15 O ATOM 587 CB GLU A 38 9.352 3.348 -8.571 1.00 65.32 C ATOM 588 CG GLU A 38 8.466 3.633 -9.783 1.00 72.14 C ATOM 589 CD GLU A 38 8.954 2.959 -11.059 1.00 21.33 C ATOM 590 OE1 GLU A 38 8.941 1.713 -11.120 1.00 23.04 O ATOM 591 OE2 GLU A 38 9.344 3.676 -12.007 1.00 25.11 O ATOM 0 H GLU A 38 9.358 5.804 -8.306 1.00 63.11 H new ATOM 0 HA GLU A 38 7.830 3.748 -7.096 1.00 31.12 H new ATOM 0 HB2 GLU A 38 10.368 3.678 -8.787 1.00 65.32 H new ATOM 0 HB3 GLU A 38 9.394 2.271 -8.406 1.00 65.32 H new ATOM 0 HG2 GLU A 38 7.451 3.298 -9.569 1.00 72.14 H new ATOM 0 HG3 GLU A 38 8.419 4.710 -9.945 1.00 72.14 H new ATOM 598 N GLY A 39 10.944 4.038 -5.993 1.00 32.24 N ATOM 599 CA GLY A 39 11.797 3.714 -4.851 1.00 52.40 C ATOM 600 C GLY A 39 11.232 4.241 -3.533 1.00 53.43 C ATOM 601 O GLY A 39 11.227 3.539 -2.518 1.00 54.34 O ATOM 0 H GLY A 39 11.380 4.636 -6.695 1.00 32.24 H new ATOM 0 HA2 GLY A 39 11.916 2.633 -4.785 1.00 52.40 H new ATOM 0 HA3 GLY A 39 12.790 4.135 -5.012 1.00 52.40 H new ATOM 605 N PHE A 40 10.746 5.480 -3.560 1.00 45.44 N ATOM 606 CA PHE A 40 10.107 6.103 -2.393 1.00 42.44 C ATOM 607 C PHE A 40 8.929 5.256 -1.865 1.00 62.43 C ATOM 608 O PHE A 40 8.839 4.972 -0.667 1.00 3.12 O ATOM 609 CB PHE A 40 9.623 7.512 -2.771 1.00 1.14 C ATOM 610 CG PHE A 40 8.941 8.259 -1.647 1.00 4.45 C ATOM 611 CD1 PHE A 40 9.685 8.841 -0.627 1.00 11.31 C ATOM 612 CD2 PHE A 40 7.557 8.381 -1.612 1.00 65.34 C ATOM 613 CE1 PHE A 40 9.062 9.526 0.401 1.00 61.33 C ATOM 614 CE2 PHE A 40 6.932 9.066 -0.586 1.00 74.54 C ATOM 615 CZ PHE A 40 7.685 9.638 0.421 1.00 72.23 C ATOM 0 H PHE A 40 10.781 6.081 -4.384 1.00 45.44 H new ATOM 0 HA PHE A 40 10.844 6.167 -1.592 1.00 42.44 H new ATOM 0 HB2 PHE A 40 10.477 8.096 -3.114 1.00 1.14 H new ATOM 0 HB3 PHE A 40 8.932 7.433 -3.610 1.00 1.14 H new ATOM 0 HD1 PHE A 40 10.762 8.757 -0.637 1.00 11.31 H new ATOM 0 HD2 PHE A 40 6.962 7.935 -2.396 1.00 65.34 H new ATOM 0 HE1 PHE A 40 9.652 9.973 1.188 1.00 61.33 H new ATOM 0 HE2 PHE A 40 5.856 9.154 -0.572 1.00 74.54 H new ATOM 0 HZ PHE A 40 7.198 10.172 1.223 1.00 72.23 H new ATOM 625 N LEU A 41 8.034 4.851 -2.767 1.00 2.33 N ATOM 626 CA LEU A 41 6.878 4.027 -2.394 1.00 73.15 C ATOM 627 C LEU A 41 7.308 2.698 -1.756 1.00 14.24 C ATOM 628 O LEU A 41 6.762 2.294 -0.732 1.00 65.24 O ATOM 629 CB LEU A 41 5.993 3.755 -3.620 1.00 53.22 C ATOM 630 CG LEU A 41 5.240 4.978 -4.175 1.00 5.04 C ATOM 631 CD1 LEU A 41 4.465 4.613 -5.439 1.00 24.41 C ATOM 632 CD2 LEU A 41 4.306 5.558 -3.114 1.00 43.13 C ATOM 0 H LEU A 41 8.085 5.078 -3.760 1.00 2.33 H new ATOM 0 HA LEU A 41 6.306 4.587 -1.654 1.00 73.15 H new ATOM 0 HB2 LEU A 41 6.617 3.343 -4.413 1.00 53.22 H new ATOM 0 HB3 LEU A 41 5.264 2.989 -3.358 1.00 53.22 H new ATOM 0 HG LEU A 41 5.974 5.740 -4.440 1.00 5.04 H new ATOM 0 HD11 LEU A 41 3.942 5.493 -5.812 1.00 24.41 H new ATOM 0 HD12 LEU A 41 5.158 4.254 -6.200 1.00 24.41 H new ATOM 0 HD13 LEU A 41 3.741 3.831 -5.209 1.00 24.41 H new ATOM 0 HD21 LEU A 41 3.782 6.422 -3.523 1.00 43.13 H new ATOM 0 HD22 LEU A 41 3.580 4.801 -2.815 1.00 43.13 H new ATOM 0 HD23 LEU A 41 4.888 5.865 -2.245 1.00 43.13 H new ATOM 644 N GLN A 42 8.294 2.028 -2.353 1.00 53.10 N ATOM 645 CA GLN A 42 8.780 0.745 -1.827 1.00 3.35 C ATOM 646 C GLN A 42 9.232 0.881 -0.363 1.00 74.41 C ATOM 647 O GLN A 42 8.879 0.061 0.487 1.00 4.44 O ATOM 648 CB GLN A 42 9.929 0.209 -2.703 1.00 22.50 C ATOM 649 CG GLN A 42 10.404 -1.207 -2.345 1.00 0.23 C ATOM 650 CD GLN A 42 11.357 -1.260 -1.152 1.00 40.12 C ATOM 651 OE1 GLN A 42 12.125 -0.334 -0.909 1.00 32.44 O ATOM 652 NE2 GLN A 42 11.315 -2.344 -0.399 1.00 72.02 N ATOM 0 H GLN A 42 8.772 2.347 -3.196 1.00 53.10 H new ATOM 0 HA GLN A 42 7.956 0.032 -1.856 1.00 3.35 H new ATOM 0 HB2 GLN A 42 9.607 0.217 -3.744 1.00 22.50 H new ATOM 0 HB3 GLN A 42 10.775 0.892 -2.626 1.00 22.50 H new ATOM 0 HG2 GLN A 42 9.534 -1.827 -2.130 1.00 0.23 H new ATOM 0 HG3 GLN A 42 10.900 -1.643 -3.212 1.00 0.23 H new ATOM 0 HE21 GLN A 42 10.666 -3.098 -0.626 1.00 72.02 H new ATOM 0 HE22 GLN A 42 11.931 -2.428 0.409 1.00 72.02 H new ATOM 661 N ALA A 43 10.003 1.928 -0.076 1.00 25.23 N ATOM 662 CA ALA A 43 10.501 2.177 1.283 1.00 3.15 C ATOM 663 C ALA A 43 9.358 2.499 2.266 1.00 45.24 C ATOM 664 O ALA A 43 9.346 2.020 3.402 1.00 31.31 O ATOM 665 CB ALA A 43 11.521 3.311 1.267 1.00 1.00 C ATOM 0 H ALA A 43 10.299 2.620 -0.764 1.00 25.23 H new ATOM 0 HA ALA A 43 10.982 1.263 1.631 1.00 3.15 H new ATOM 0 HB1 ALA A 43 11.884 3.488 2.279 1.00 1.00 H new ATOM 0 HB2 ALA A 43 12.358 3.039 0.624 1.00 1.00 H new ATOM 0 HB3 ALA A 43 11.051 4.218 0.887 1.00 1.00 H new ATOM 671 N SER A 44 8.398 3.309 1.818 1.00 35.32 N ATOM 672 CA SER A 44 7.269 3.735 2.666 1.00 32.32 C ATOM 673 C SER A 44 6.276 2.592 2.935 1.00 42.01 C ATOM 674 O SER A 44 5.789 2.421 4.056 1.00 0.43 O ATOM 675 CB SER A 44 6.524 4.906 2.006 1.00 42.33 C ATOM 676 OG SER A 44 5.411 5.315 2.783 1.00 12.40 O ATOM 0 H SER A 44 8.374 3.687 0.871 1.00 35.32 H new ATOM 0 HA SER A 44 7.690 4.046 3.622 1.00 32.32 H new ATOM 0 HB2 SER A 44 7.206 5.746 1.875 1.00 42.33 H new ATOM 0 HB3 SER A 44 6.187 4.611 1.012 1.00 42.33 H new ATOM 0 HG SER A 44 4.659 5.525 2.191 1.00 12.40 H new ATOM 682 N LEU A 45 5.980 1.808 1.905 1.00 61.14 N ATOM 683 CA LEU A 45 4.974 0.742 1.997 1.00 65.15 C ATOM 684 C LEU A 45 5.579 -0.580 2.501 1.00 54.44 C ATOM 685 O LEU A 45 4.860 -1.561 2.694 1.00 64.32 O ATOM 686 CB LEU A 45 4.327 0.531 0.620 1.00 44.21 C ATOM 687 CG LEU A 45 3.758 1.802 -0.038 1.00 13.01 C ATOM 688 CD1 LEU A 45 3.187 1.490 -1.419 1.00 12.12 C ATOM 689 CD2 LEU A 45 2.701 2.448 0.854 1.00 73.15 C ATOM 0 H LEU A 45 6.422 1.887 0.989 1.00 61.14 H new ATOM 0 HA LEU A 45 4.221 1.052 2.721 1.00 65.15 H new ATOM 0 HB2 LEU A 45 5.069 0.095 -0.049 1.00 44.21 H new ATOM 0 HB3 LEU A 45 3.523 -0.198 0.722 1.00 44.21 H new ATOM 0 HG LEU A 45 4.575 2.513 -0.163 1.00 13.01 H new ATOM 0 HD11 LEU A 45 2.791 2.403 -1.864 1.00 12.12 H new ATOM 0 HD12 LEU A 45 3.975 1.088 -2.056 1.00 12.12 H new ATOM 0 HD13 LEU A 45 2.387 0.756 -1.325 1.00 12.12 H new ATOM 0 HD21 LEU A 45 2.313 3.344 0.369 1.00 73.15 H new ATOM 0 HD22 LEU A 45 1.886 1.744 1.020 1.00 73.15 H new ATOM 0 HD23 LEU A 45 3.148 2.718 1.811 1.00 73.15 H new ATOM 701 N LYS A 46 6.892 -0.586 2.728 1.00 25.42 N ATOM 702 CA LYS A 46 7.627 -1.791 3.147 1.00 41.13 C ATOM 703 C LYS A 46 6.973 -2.508 4.344 1.00 40.14 C ATOM 704 O LYS A 46 6.845 -3.731 4.355 1.00 70.23 O ATOM 705 CB LYS A 46 9.069 -1.410 3.518 1.00 12.22 C ATOM 706 CG LYS A 46 9.970 -2.608 3.804 1.00 5.31 C ATOM 707 CD LYS A 46 11.308 -2.201 4.430 1.00 43.24 C ATOM 708 CE LYS A 46 11.177 -1.852 5.915 1.00 2.11 C ATOM 709 NZ LYS A 46 10.395 -0.608 6.158 1.00 65.51 N ATOM 0 H LYS A 46 7.481 0.241 2.628 1.00 25.42 H new ATOM 0 HA LYS A 46 7.610 -2.482 2.304 1.00 41.13 H new ATOM 0 HB2 LYS A 46 9.502 -0.828 2.704 1.00 12.22 H new ATOM 0 HB3 LYS A 46 9.050 -0.764 4.396 1.00 12.22 H new ATOM 0 HG2 LYS A 46 9.453 -3.295 4.474 1.00 5.31 H new ATOM 0 HG3 LYS A 46 10.156 -3.148 2.876 1.00 5.31 H new ATOM 0 HD2 LYS A 46 12.023 -3.015 4.313 1.00 43.24 H new ATOM 0 HD3 LYS A 46 11.711 -1.343 3.892 1.00 43.24 H new ATOM 0 HE2 LYS A 46 10.699 -2.682 6.436 1.00 2.11 H new ATOM 0 HE3 LYS A 46 12.172 -1.737 6.344 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 10.678 -0.192 7.068 1.00 65.51 H new ATOM 0 HZ2 LYS A 46 10.580 0.073 5.394 1.00 65.51 H new ATOM 0 HZ3 LYS A 46 9.380 -0.835 6.182 1.00 65.51 H new ATOM 723 N ASP A 47 6.576 -1.739 5.354 1.00 52.03 N ATOM 724 CA ASP A 47 6.035 -2.304 6.597 1.00 1.33 C ATOM 725 C ASP A 47 4.533 -2.608 6.493 1.00 44.13 C ATOM 726 O ASP A 47 3.936 -3.152 7.423 1.00 61.31 O ATOM 727 CB ASP A 47 6.290 -1.334 7.751 1.00 62.51 C ATOM 728 CG ASP A 47 7.731 -0.874 7.781 1.00 32.02 C ATOM 729 OD1 ASP A 47 8.058 0.098 7.068 1.00 73.02 O ATOM 730 OD2 ASP A 47 8.548 -1.489 8.497 1.00 53.24 O ATOM 0 H ASP A 47 6.617 -0.720 5.340 1.00 52.03 H new ATOM 0 HA ASP A 47 6.545 -3.250 6.780 1.00 1.33 H new ATOM 0 HB2 ASP A 47 5.633 -0.470 7.653 1.00 62.51 H new ATOM 0 HB3 ASP A 47 6.042 -1.818 8.696 1.00 62.51 H new ATOM 735 N GLY A 48 3.921 -2.222 5.376 1.00 54.43 N ATOM 736 CA GLY A 48 2.505 -2.499 5.150 1.00 21.24 C ATOM 737 C GLY A 48 1.553 -1.578 5.914 1.00 23.31 C ATOM 738 O GLY A 48 0.408 -1.398 5.505 1.00 52.35 O ATOM 0 H GLY A 48 4.381 -1.719 4.617 1.00 54.43 H new ATOM 0 HA2 GLY A 48 2.296 -2.414 4.084 1.00 21.24 H new ATOM 0 HA3 GLY A 48 2.299 -3.531 5.434 1.00 21.24 H new ATOM 742 N VAL A 49 2.018 -0.984 7.013 1.00 44.21 N ATOM 743 CA VAL A 49 1.162 -0.150 7.873 1.00 21.52 C ATOM 744 C VAL A 49 0.498 0.997 7.087 1.00 64.22 C ATOM 745 O VAL A 49 -0.690 1.278 7.268 1.00 3.22 O ATOM 746 CB VAL A 49 1.953 0.440 9.071 1.00 23.23 C ATOM 747 CG1 VAL A 49 1.015 1.170 10.037 1.00 54.32 C ATOM 748 CG2 VAL A 49 2.737 -0.653 9.797 1.00 52.11 C ATOM 0 H VAL A 49 2.983 -1.062 7.333 1.00 44.21 H new ATOM 0 HA VAL A 49 0.382 -0.809 8.254 1.00 21.52 H new ATOM 0 HB VAL A 49 2.667 1.165 8.680 1.00 23.23 H new ATOM 0 HG11 VAL A 49 1.592 1.575 10.868 1.00 54.32 H new ATOM 0 HG12 VAL A 49 0.514 1.984 9.513 1.00 54.32 H new ATOM 0 HG13 VAL A 49 0.270 0.472 10.418 1.00 54.32 H new ATOM 0 HG21 VAL A 49 3.283 -0.215 10.633 1.00 52.11 H new ATOM 0 HG22 VAL A 49 2.046 -1.409 10.171 1.00 52.11 H new ATOM 0 HG23 VAL A 49 3.441 -1.116 9.106 1.00 52.11 H new ATOM 758 N VAL A 50 1.263 1.659 6.214 1.00 34.12 N ATOM 759 CA VAL A 50 0.705 2.717 5.357 1.00 45.12 C ATOM 760 C VAL A 50 -0.378 2.149 4.417 1.00 45.32 C ATOM 761 O VAL A 50 -1.393 2.797 4.155 1.00 21.00 O ATOM 762 CB VAL A 50 1.809 3.425 4.521 1.00 52.14 C ATOM 763 CG1 VAL A 50 1.202 4.454 3.564 1.00 41.42 C ATOM 764 CG2 VAL A 50 2.839 4.091 5.437 1.00 2.23 C ATOM 0 H VAL A 50 2.259 1.486 6.080 1.00 34.12 H new ATOM 0 HA VAL A 50 0.252 3.457 6.018 1.00 45.12 H new ATOM 0 HB VAL A 50 2.314 2.665 3.926 1.00 52.14 H new ATOM 0 HG11 VAL A 50 1.997 4.933 2.993 1.00 41.42 H new ATOM 0 HG12 VAL A 50 0.515 3.955 2.881 1.00 41.42 H new ATOM 0 HG13 VAL A 50 0.661 5.208 4.136 1.00 41.42 H new ATOM 0 HG21 VAL A 50 3.602 4.580 4.831 1.00 2.23 H new ATOM 0 HG22 VAL A 50 2.343 4.832 6.064 1.00 2.23 H new ATOM 0 HG23 VAL A 50 3.306 3.336 6.069 1.00 2.23 H new ATOM 774 N LEU A 51 -0.163 0.921 3.936 1.00 22.15 N ATOM 775 CA LEU A 51 -1.150 0.235 3.090 1.00 11.33 C ATOM 776 C LEU A 51 -2.424 -0.100 3.882 1.00 4.11 C ATOM 777 O LEU A 51 -3.537 0.031 3.371 1.00 50.34 O ATOM 778 CB LEU A 51 -0.552 -1.053 2.502 1.00 54.40 C ATOM 779 CG LEU A 51 0.578 -0.853 1.480 1.00 1.34 C ATOM 780 CD1 LEU A 51 1.144 -2.200 1.040 1.00 4.11 C ATOM 781 CD2 LEU A 51 0.077 -0.060 0.276 1.00 13.31 C ATOM 0 H LEU A 51 0.683 0.381 4.116 1.00 22.15 H new ATOM 0 HA LEU A 51 -1.416 0.911 2.277 1.00 11.33 H new ATOM 0 HB2 LEU A 51 -0.173 -1.664 3.321 1.00 54.40 H new ATOM 0 HB3 LEU A 51 -1.352 -1.620 2.026 1.00 54.40 H new ATOM 0 HG LEU A 51 1.377 -0.284 1.955 1.00 1.34 H new ATOM 0 HD11 LEU A 51 1.943 -2.040 0.316 1.00 4.11 H new ATOM 0 HD12 LEU A 51 1.540 -2.729 1.907 1.00 4.11 H new ATOM 0 HD13 LEU A 51 0.354 -2.795 0.582 1.00 4.11 H new ATOM 0 HD21 LEU A 51 0.891 0.072 -0.437 1.00 13.31 H new ATOM 0 HD22 LEU A 51 -0.740 -0.601 -0.202 1.00 13.31 H new ATOM 0 HD23 LEU A 51 -0.278 0.916 0.606 1.00 13.31 H new ATOM 793 N CYS A 52 -2.251 -0.536 5.129 1.00 34.15 N ATOM 794 CA CYS A 52 -3.385 -0.832 6.012 1.00 12.41 C ATOM 795 C CYS A 52 -4.260 0.413 6.202 1.00 54.25 C ATOM 796 O CYS A 52 -5.475 0.362 6.015 1.00 22.13 O ATOM 797 CB CYS A 52 -2.890 -1.344 7.368 1.00 33.44 C ATOM 798 SG CYS A 52 -1.824 -2.801 7.260 1.00 30.44 S ATOM 0 H CYS A 52 -1.337 -0.693 5.553 1.00 34.15 H new ATOM 0 HA CYS A 52 -3.987 -1.611 5.545 1.00 12.41 H new ATOM 0 HB2 CYS A 52 -2.345 -0.544 7.870 1.00 33.44 H new ATOM 0 HB3 CYS A 52 -3.752 -1.582 7.991 1.00 33.44 H new ATOM 0 HG CYS A 52 -0.800 -2.534 6.505 1.00 30.44 H new ATOM 804 N ARG A 53 -3.629 1.535 6.566 1.00 24.43 N ATOM 805 CA ARG A 53 -4.334 2.822 6.657 1.00 32.32 C ATOM 806 C ARG A 53 -5.038 3.156 5.331 1.00 0.45 C ATOM 807 O ARG A 53 -6.213 3.526 5.311 1.00 4.22 O ATOM 808 CB ARG A 53 -3.359 3.958 7.010 1.00 2.45 C ATOM 809 CG ARG A 53 -2.717 3.844 8.392 1.00 44.11 C ATOM 810 CD ARG A 53 -1.891 5.087 8.722 1.00 52.31 C ATOM 811 NE ARG A 53 -1.317 5.038 10.065 1.00 51.12 N ATOM 812 CZ ARG A 53 -1.332 6.036 10.910 1.00 43.15 C ATOM 813 NH1 ARG A 53 -1.929 7.146 10.610 1.00 0.22 N ATOM 814 NH2 ARG A 53 -0.755 5.916 12.058 1.00 73.31 N ATOM 0 H ARG A 53 -2.638 1.580 6.801 1.00 24.43 H new ATOM 0 HA ARG A 53 -5.080 2.731 7.447 1.00 32.32 H new ATOM 0 HB2 ARG A 53 -2.569 3.987 6.259 1.00 2.45 H new ATOM 0 HB3 ARG A 53 -3.891 4.907 6.949 1.00 2.45 H new ATOM 0 HG2 ARG A 53 -3.492 3.709 9.146 1.00 44.11 H new ATOM 0 HG3 ARG A 53 -2.080 2.960 8.428 1.00 44.11 H new ATOM 0 HD2 ARG A 53 -1.089 5.191 7.991 1.00 52.31 H new ATOM 0 HD3 ARG A 53 -2.521 5.972 8.632 1.00 52.31 H new ATOM 0 HE ARG A 53 -0.876 4.168 10.363 1.00 51.12 H new ATOM 0 HH11 ARG A 53 -2.393 7.248 9.707 1.00 0.22 H new ATOM 0 HH12 ARG A 53 -1.935 7.918 11.276 1.00 0.22 H new ATOM 0 HH21 ARG A 53 -0.288 5.044 12.305 1.00 73.31 H new ATOM 0 HH22 ARG A 53 -0.766 6.694 12.718 1.00 73.31 H new ATOM 828 N LEU A 54 -4.297 3.021 4.231 1.00 54.24 N ATOM 829 CA LEU A 54 -4.818 3.261 2.878 1.00 23.14 C ATOM 830 C LEU A 54 -6.139 2.509 2.635 1.00 12.41 C ATOM 831 O LEU A 54 -7.144 3.106 2.241 1.00 64.31 O ATOM 832 CB LEU A 54 -3.766 2.829 1.840 1.00 21.33 C ATOM 833 CG LEU A 54 -4.197 2.920 0.365 1.00 71.10 C ATOM 834 CD1 LEU A 54 -4.519 4.359 -0.019 1.00 15.34 C ATOM 835 CD2 LEU A 54 -3.111 2.344 -0.548 1.00 51.43 C ATOM 0 H LEU A 54 -3.316 2.742 4.249 1.00 54.24 H new ATOM 0 HA LEU A 54 -5.023 4.327 2.777 1.00 23.14 H new ATOM 0 HB2 LEU A 54 -2.876 3.443 1.976 1.00 21.33 H new ATOM 0 HB3 LEU A 54 -3.478 1.799 2.051 1.00 21.33 H new ATOM 0 HG LEU A 54 -5.103 2.327 0.237 1.00 71.10 H new ATOM 0 HD11 LEU A 54 -4.821 4.397 -1.066 1.00 15.34 H new ATOM 0 HD12 LEU A 54 -5.331 4.730 0.607 1.00 15.34 H new ATOM 0 HD13 LEU A 54 -3.636 4.981 0.127 1.00 15.34 H new ATOM 0 HD21 LEU A 54 -3.433 2.417 -1.587 1.00 51.43 H new ATOM 0 HD22 LEU A 54 -2.187 2.907 -0.414 1.00 51.43 H new ATOM 0 HD23 LEU A 54 -2.939 1.298 -0.294 1.00 51.43 H new ATOM 847 N LEU A 55 -6.128 1.204 2.880 1.00 2.43 N ATOM 848 CA LEU A 55 -7.312 0.369 2.668 1.00 62.44 C ATOM 849 C LEU A 55 -8.455 0.745 3.627 1.00 14.13 C ATOM 850 O LEU A 55 -9.614 0.797 3.224 1.00 5.13 O ATOM 851 CB LEU A 55 -6.955 -1.113 2.829 1.00 41.03 C ATOM 852 CG LEU A 55 -8.088 -2.099 2.493 1.00 13.24 C ATOM 853 CD1 LEU A 55 -8.548 -1.926 1.047 1.00 73.35 C ATOM 854 CD2 LEU A 55 -7.644 -3.536 2.752 1.00 64.50 C ATOM 0 H LEU A 55 -5.313 0.698 3.226 1.00 2.43 H new ATOM 0 HA LEU A 55 -7.660 0.546 1.650 1.00 62.44 H new ATOM 0 HB2 LEU A 55 -6.100 -1.336 2.191 1.00 41.03 H new ATOM 0 HB3 LEU A 55 -6.639 -1.285 3.858 1.00 41.03 H new ATOM 0 HG LEU A 55 -8.934 -1.880 3.144 1.00 13.24 H new ATOM 0 HD11 LEU A 55 -9.349 -2.633 0.833 1.00 73.35 H new ATOM 0 HD12 LEU A 55 -8.913 -0.909 0.900 1.00 73.35 H new ATOM 0 HD13 LEU A 55 -7.711 -2.111 0.374 1.00 73.35 H new ATOM 0 HD21 LEU A 55 -8.459 -4.218 2.509 1.00 64.50 H new ATOM 0 HD22 LEU A 55 -6.779 -3.767 2.130 1.00 64.50 H new ATOM 0 HD23 LEU A 55 -7.377 -3.650 3.802 1.00 64.50 H new ATOM 866 N GLU A 56 -8.124 1.017 4.892 1.00 45.51 N ATOM 867 CA GLU A 56 -9.133 1.400 5.896 1.00 5.05 C ATOM 868 C GLU A 56 -9.809 2.743 5.557 1.00 72.44 C ATOM 869 O GLU A 56 -10.912 3.028 6.025 1.00 24.14 O ATOM 870 CB GLU A 56 -8.503 1.463 7.299 1.00 30.42 C ATOM 871 CG GLU A 56 -7.999 0.115 7.817 1.00 11.13 C ATOM 872 CD GLU A 56 -9.117 -0.892 8.062 1.00 71.40 C ATOM 873 OE1 GLU A 56 -9.559 -1.550 7.099 1.00 61.44 O ATOM 874 OE2 GLU A 56 -9.551 -1.039 9.226 1.00 50.04 O ATOM 0 H GLU A 56 -7.169 0.981 5.249 1.00 45.51 H new ATOM 0 HA GLU A 56 -9.905 0.631 5.884 1.00 5.05 H new ATOM 0 HB2 GLU A 56 -7.671 2.167 7.281 1.00 30.42 H new ATOM 0 HB3 GLU A 56 -9.240 1.857 7.999 1.00 30.42 H new ATOM 0 HG2 GLU A 56 -7.294 -0.302 7.098 1.00 11.13 H new ATOM 0 HG3 GLU A 56 -7.451 0.272 8.746 1.00 11.13 H new ATOM 881 N ARG A 57 -9.143 3.574 4.755 1.00 35.41 N ATOM 882 CA ARG A 57 -9.742 4.829 4.283 1.00 54.02 C ATOM 883 C ARG A 57 -10.794 4.565 3.198 1.00 14.43 C ATOM 884 O ARG A 57 -11.877 5.152 3.208 1.00 54.31 O ATOM 885 CB ARG A 57 -8.669 5.782 3.738 1.00 62.22 C ATOM 886 CG ARG A 57 -7.644 6.221 4.777 1.00 72.24 C ATOM 887 CD ARG A 57 -8.294 6.929 5.962 1.00 22.44 C ATOM 888 NE ARG A 57 -9.045 8.117 5.556 1.00 12.04 N ATOM 889 CZ ARG A 57 -9.008 9.258 6.188 1.00 72.35 C ATOM 890 NH1 ARG A 57 -8.225 9.423 7.204 1.00 31.11 N ATOM 891 NH2 ARG A 57 -9.736 10.247 5.787 1.00 13.12 N ATOM 0 H ARG A 57 -8.195 3.405 4.419 1.00 35.41 H new ATOM 0 HA ARG A 57 -10.228 5.298 5.139 1.00 54.02 H new ATOM 0 HB2 ARG A 57 -8.149 5.294 2.914 1.00 62.22 H new ATOM 0 HB3 ARG A 57 -9.157 6.666 3.328 1.00 62.22 H new ATOM 0 HG2 ARG A 57 -7.094 5.350 5.133 1.00 72.24 H new ATOM 0 HG3 ARG A 57 -6.919 6.888 4.311 1.00 72.24 H new ATOM 0 HD2 ARG A 57 -8.963 6.237 6.474 1.00 22.44 H new ATOM 0 HD3 ARG A 57 -7.524 7.216 6.678 1.00 22.44 H new ATOM 0 HE ARG A 57 -9.635 8.049 4.727 1.00 12.04 H new ATOM 0 HH11 ARG A 57 -7.629 8.657 7.518 1.00 31.11 H new ATOM 0 HH12 ARG A 57 -8.204 10.319 7.691 1.00 31.11 H new ATOM 0 HH21 ARG A 57 -10.342 10.137 4.974 1.00 13.12 H new ATOM 0 HH22 ARG A 57 -9.705 11.138 6.283 1.00 13.12 H new ATOM 905 N LEU A 58 -10.460 3.681 2.264 1.00 51.12 N ATOM 906 CA LEU A 58 -11.359 3.329 1.160 1.00 71.43 C ATOM 907 C LEU A 58 -12.473 2.384 1.639 1.00 64.30 C ATOM 908 O LEU A 58 -13.665 2.662 1.475 1.00 63.24 O ATOM 909 CB LEU A 58 -10.547 2.661 0.044 1.00 44.00 C ATOM 910 CG LEU A 58 -9.308 3.449 -0.423 1.00 0.12 C ATOM 911 CD1 LEU A 58 -8.489 2.633 -1.417 1.00 35.14 C ATOM 912 CD2 LEU A 58 -9.714 4.793 -1.025 1.00 61.33 C ATOM 0 H LEU A 58 -9.567 3.189 2.246 1.00 51.12 H new ATOM 0 HA LEU A 58 -11.828 4.238 0.783 1.00 71.43 H new ATOM 0 HB2 LEU A 58 -10.225 1.678 0.388 1.00 44.00 H new ATOM 0 HB3 LEU A 58 -11.201 2.500 -0.813 1.00 44.00 H new ATOM 0 HG LEU A 58 -8.683 3.645 0.448 1.00 0.12 H new ATOM 0 HD11 LEU A 58 -7.620 3.210 -1.732 1.00 35.14 H new ATOM 0 HD12 LEU A 58 -8.159 1.708 -0.944 1.00 35.14 H new ATOM 0 HD13 LEU A 58 -9.102 2.397 -2.286 1.00 35.14 H new ATOM 0 HD21 LEU A 58 -8.823 5.331 -1.347 1.00 61.33 H new ATOM 0 HD22 LEU A 58 -10.367 4.626 -1.882 1.00 61.33 H new ATOM 0 HD23 LEU A 58 -10.243 5.382 -0.276 1.00 61.33 H new ATOM 924 N LEU A 59 -12.064 1.262 2.219 1.00 75.12 N ATOM 925 CA LEU A 59 -12.986 0.282 2.801 1.00 24.34 C ATOM 926 C LEU A 59 -12.808 0.221 4.331 1.00 61.41 C ATOM 927 O LEU A 59 -12.008 -0.564 4.842 1.00 54.30 O ATOM 928 CB LEU A 59 -12.730 -1.103 2.186 1.00 3.24 C ATOM 929 CG LEU A 59 -12.851 -1.179 0.657 1.00 62.43 C ATOM 930 CD1 LEU A 59 -12.376 -2.535 0.148 1.00 33.32 C ATOM 931 CD2 LEU A 59 -14.288 -0.907 0.212 1.00 3.01 C ATOM 0 H LEU A 59 -11.081 1.001 2.301 1.00 75.12 H new ATOM 0 HA LEU A 59 -14.009 0.588 2.582 1.00 24.34 H new ATOM 0 HB2 LEU A 59 -11.729 -1.429 2.471 1.00 3.24 H new ATOM 0 HB3 LEU A 59 -13.433 -1.812 2.624 1.00 3.24 H new ATOM 0 HG LEU A 59 -12.212 -0.409 0.226 1.00 62.43 H new ATOM 0 HD11 LEU A 59 -12.470 -2.569 -0.937 1.00 33.32 H new ATOM 0 HD12 LEU A 59 -11.333 -2.683 0.427 1.00 33.32 H new ATOM 0 HD13 LEU A 59 -12.985 -3.323 0.590 1.00 33.32 H new ATOM 0 HD21 LEU A 59 -14.350 -0.966 -0.875 1.00 3.01 H new ATOM 0 HD22 LEU A 59 -14.952 -1.649 0.654 1.00 3.01 H new ATOM 0 HD23 LEU A 59 -14.588 0.089 0.539 1.00 3.01 H new ATOM 943 N PRO A 60 -13.547 1.056 5.087 1.00 20.52 N ATOM 944 CA PRO A 60 -13.376 1.161 6.550 1.00 41.42 C ATOM 945 C PRO A 60 -13.759 -0.126 7.304 1.00 31.15 C ATOM 946 O PRO A 60 -14.897 -0.595 7.222 1.00 12.13 O ATOM 947 CB PRO A 60 -14.312 2.319 6.937 1.00 41.11 C ATOM 948 CG PRO A 60 -15.330 2.368 5.845 1.00 71.33 C ATOM 949 CD PRO A 60 -14.608 1.955 4.589 1.00 61.24 C ATOM 0 HA PRO A 60 -12.332 1.326 6.818 1.00 41.42 H new ATOM 0 HB2 PRO A 60 -14.779 2.143 7.906 1.00 41.11 H new ATOM 0 HB3 PRO A 60 -13.767 3.260 7.012 1.00 41.11 H new ATOM 0 HG2 PRO A 60 -16.162 1.696 6.056 1.00 71.33 H new ATOM 0 HG3 PRO A 60 -15.747 3.370 5.744 1.00 71.33 H new ATOM 0 HD2 PRO A 60 -15.273 1.445 3.892 1.00 61.24 H new ATOM 0 HD3 PRO A 60 -14.193 2.814 4.063 1.00 61.24 H new ATOM 957 N GLY A 61 -12.798 -0.698 8.032 1.00 52.03 N ATOM 958 CA GLY A 61 -13.062 -1.892 8.829 1.00 34.44 C ATOM 959 C GLY A 61 -12.899 -3.185 8.039 1.00 64.11 C ATOM 960 O GLY A 61 -13.710 -4.105 8.163 1.00 63.00 O ATOM 0 H GLY A 61 -11.839 -0.356 8.085 1.00 52.03 H new ATOM 0 HA2 GLY A 61 -12.386 -1.908 9.684 1.00 34.44 H new ATOM 0 HA3 GLY A 61 -14.076 -1.840 9.225 1.00 34.44 H new ATOM 964 N THR A 62 -11.848 -3.250 7.225 1.00 44.32 N ATOM 965 CA THR A 62 -11.563 -4.439 6.408 1.00 43.24 C ATOM 966 C THR A 62 -10.327 -5.196 6.922 1.00 14.51 C ATOM 967 O THR A 62 -10.297 -6.429 6.916 1.00 71.32 O ATOM 968 CB THR A 62 -11.350 -4.067 4.920 1.00 25.32 C ATOM 969 OG1 THR A 62 -12.475 -3.318 4.436 1.00 44.43 O ATOM 970 CG2 THR A 62 -11.177 -5.315 4.061 1.00 21.41 C ATOM 0 H THR A 62 -11.174 -2.493 7.110 1.00 44.32 H new ATOM 0 HA THR A 62 -12.435 -5.088 6.491 1.00 43.24 H new ATOM 0 HB THR A 62 -10.444 -3.465 4.852 1.00 25.32 H new ATOM 0 HG1 THR A 62 -12.316 -2.361 4.577 1.00 44.43 H new ATOM 0 HG21 THR A 62 -11.029 -5.023 3.021 1.00 21.41 H new ATOM 0 HG22 THR A 62 -10.310 -5.877 4.407 1.00 21.41 H new ATOM 0 HG23 THR A 62 -12.068 -5.938 4.140 1.00 21.41 H new ATOM 978 N ILE A 63 -9.304 -4.457 7.354 1.00 73.32 N ATOM 979 CA ILE A 63 -8.113 -5.064 7.963 1.00 44.12 C ATOM 980 C ILE A 63 -8.482 -5.776 9.278 1.00 55.43 C ATOM 981 O ILE A 63 -8.939 -5.139 10.233 1.00 72.44 O ATOM 982 CB ILE A 63 -7.019 -3.997 8.243 1.00 63.52 C ATOM 983 CG1 ILE A 63 -6.593 -3.298 6.938 1.00 12.54 C ATOM 984 CG2 ILE A 63 -5.805 -4.626 8.934 1.00 10.35 C ATOM 985 CD1 ILE A 63 -5.960 -4.223 5.916 1.00 70.44 C ATOM 0 H ILE A 63 -9.273 -3.439 7.295 1.00 73.32 H new ATOM 0 HA ILE A 63 -7.717 -5.793 7.255 1.00 44.12 H new ATOM 0 HB ILE A 63 -7.443 -3.249 8.913 1.00 63.52 H new ATOM 0 HG12 ILE A 63 -7.467 -2.824 6.491 1.00 12.54 H new ATOM 0 HG13 ILE A 63 -5.887 -2.503 7.178 1.00 12.54 H new ATOM 0 HG21 ILE A 63 -5.054 -3.858 9.119 1.00 10.35 H new ATOM 0 HG22 ILE A 63 -6.114 -5.067 9.882 1.00 10.35 H new ATOM 0 HG23 ILE A 63 -5.383 -5.400 8.294 1.00 10.35 H new ATOM 0 HD11 ILE A 63 -5.689 -3.653 5.027 1.00 70.44 H new ATOM 0 HD12 ILE A 63 -5.066 -4.678 6.342 1.00 70.44 H new ATOM 0 HD13 ILE A 63 -6.670 -5.004 5.643 1.00 70.44 H new ATOM 997 N GLU A 64 -8.282 -7.091 9.325 1.00 21.33 N ATOM 998 CA GLU A 64 -8.688 -7.892 10.483 1.00 62.32 C ATOM 999 C GLU A 64 -7.726 -7.689 11.666 1.00 41.32 C ATOM 1000 O GLU A 64 -8.155 -7.572 12.811 1.00 41.24 O ATOM 1001 CB GLU A 64 -8.772 -9.375 10.091 1.00 10.35 C ATOM 1002 CG GLU A 64 -9.362 -10.281 11.169 1.00 3.43 C ATOM 1003 CD GLU A 64 -9.515 -11.719 10.695 1.00 4.14 C ATOM 1004 OE1 GLU A 64 -8.518 -12.470 10.725 1.00 34.44 O ATOM 1005 OE2 GLU A 64 -10.631 -12.104 10.279 1.00 41.25 O ATOM 0 H GLU A 64 -7.842 -7.626 8.577 1.00 21.33 H new ATOM 0 HA GLU A 64 -9.675 -7.558 10.805 1.00 62.32 H new ATOM 0 HB2 GLU A 64 -9.375 -9.466 9.188 1.00 10.35 H new ATOM 0 HB3 GLU A 64 -7.772 -9.730 9.843 1.00 10.35 H new ATOM 0 HG2 GLU A 64 -8.721 -10.258 12.051 1.00 3.43 H new ATOM 0 HG3 GLU A 64 -10.335 -9.895 11.472 1.00 3.43 H new ATOM 1012 N LYS A 65 -6.422 -7.644 11.383 1.00 42.55 N ATOM 1013 CA LYS A 65 -5.419 -7.353 12.421 1.00 11.43 C ATOM 1014 C LYS A 65 -4.134 -6.763 11.822 1.00 34.23 C ATOM 1015 O LYS A 65 -3.544 -7.332 10.907 1.00 13.22 O ATOM 1016 CB LYS A 65 -5.087 -8.618 13.226 1.00 21.32 C ATOM 1017 CG LYS A 65 -4.063 -8.384 14.337 1.00 32.12 C ATOM 1018 CD LYS A 65 -3.837 -9.633 15.185 1.00 12.23 C ATOM 1019 CE LYS A 65 -2.771 -9.407 16.254 1.00 10.02 C ATOM 1020 NZ LYS A 65 -3.103 -8.264 17.147 1.00 44.13 N ATOM 0 H LYS A 65 -6.034 -7.803 10.453 1.00 42.55 H new ATOM 0 HA LYS A 65 -5.853 -6.608 13.088 1.00 11.43 H new ATOM 0 HB2 LYS A 65 -6.004 -9.010 13.665 1.00 21.32 H new ATOM 0 HB3 LYS A 65 -4.707 -9.381 12.547 1.00 21.32 H new ATOM 0 HG2 LYS A 65 -3.117 -8.070 13.896 1.00 32.12 H new ATOM 0 HG3 LYS A 65 -4.403 -7.569 14.976 1.00 32.12 H new ATOM 0 HD2 LYS A 65 -4.773 -9.923 15.661 1.00 12.23 H new ATOM 0 HD3 LYS A 65 -3.537 -10.460 14.541 1.00 12.23 H new ATOM 0 HE2 LYS A 65 -2.660 -10.312 16.851 1.00 10.02 H new ATOM 0 HE3 LYS A 65 -1.810 -9.223 15.773 1.00 10.02 H new ATOM 0 HZ1 LYS A 65 -2.458 -8.262 17.962 1.00 44.13 H new ATOM 0 HZ2 LYS A 65 -3.001 -7.372 16.622 1.00 44.13 H new ATOM 0 HZ3 LYS A 65 -4.083 -8.358 17.482 1.00 44.13 H new ATOM 1034 N VAL A 66 -3.692 -5.630 12.363 1.00 3.04 N ATOM 1035 CA VAL A 66 -2.483 -4.954 11.875 1.00 43.04 C ATOM 1036 C VAL A 66 -1.522 -4.615 13.025 1.00 25.12 C ATOM 1037 O VAL A 66 -1.948 -4.343 14.149 1.00 71.31 O ATOM 1038 CB VAL A 66 -2.834 -3.652 11.107 1.00 33.54 C ATOM 1039 CG1 VAL A 66 -3.511 -2.638 12.027 1.00 11.42 C ATOM 1040 CG2 VAL A 66 -1.590 -3.046 10.461 1.00 71.02 C ATOM 0 H VAL A 66 -4.151 -5.157 13.141 1.00 3.04 H new ATOM 0 HA VAL A 66 -1.991 -5.650 11.195 1.00 43.04 H new ATOM 0 HB VAL A 66 -3.536 -3.912 10.315 1.00 33.54 H new ATOM 0 HG11 VAL A 66 -3.746 -1.735 11.463 1.00 11.42 H new ATOM 0 HG12 VAL A 66 -4.430 -3.066 12.426 1.00 11.42 H new ATOM 0 HG13 VAL A 66 -2.840 -2.388 12.849 1.00 11.42 H new ATOM 0 HG21 VAL A 66 -1.863 -2.135 9.929 1.00 71.02 H new ATOM 0 HG22 VAL A 66 -0.858 -2.810 11.233 1.00 71.02 H new ATOM 0 HG23 VAL A 66 -1.160 -3.760 9.759 1.00 71.02 H new ATOM 1050 N TYR A 67 -0.225 -4.645 12.738 1.00 60.45 N ATOM 1051 CA TYR A 67 0.804 -4.264 13.710 1.00 52.42 C ATOM 1052 C TYR A 67 1.342 -2.858 13.395 1.00 22.43 C ATOM 1053 O TYR A 67 2.184 -2.696 12.507 1.00 15.21 O ATOM 1054 CB TYR A 67 1.957 -5.277 13.683 1.00 41.12 C ATOM 1055 CG TYR A 67 1.505 -6.722 13.798 1.00 51.32 C ATOM 1056 CD1 TYR A 67 1.353 -7.332 15.038 1.00 50.32 C ATOM 1057 CD2 TYR A 67 1.238 -7.476 12.660 1.00 55.12 C ATOM 1058 CE1 TYR A 67 0.945 -8.649 15.140 1.00 42.52 C ATOM 1059 CE2 TYR A 67 0.831 -8.793 12.755 1.00 1.42 C ATOM 1060 CZ TYR A 67 0.686 -9.376 13.997 1.00 62.10 C ATOM 1061 OH TYR A 67 0.288 -10.694 14.095 1.00 34.21 O ATOM 0 H TYR A 67 0.145 -4.932 11.832 1.00 60.45 H new ATOM 0 HA TYR A 67 0.356 -4.258 14.704 1.00 52.42 H new ATOM 0 HB2 TYR A 67 2.515 -5.153 12.755 1.00 41.12 H new ATOM 0 HB3 TYR A 67 2.643 -5.054 14.500 1.00 41.12 H new ATOM 0 HD1 TYR A 67 1.557 -6.768 15.936 1.00 50.32 H new ATOM 0 HD2 TYR A 67 1.351 -7.024 11.686 1.00 55.12 H new ATOM 0 HE1 TYR A 67 0.830 -9.107 16.111 1.00 42.52 H new ATOM 0 HE2 TYR A 67 0.627 -9.364 11.861 1.00 1.42 H new ATOM 0 HH TYR A 67 0.146 -11.060 13.197 1.00 34.21 H new ATOM 1071 N PRO A 68 0.854 -1.817 14.106 1.00 44.24 N ATOM 1072 CA PRO A 68 1.265 -0.414 13.860 1.00 45.40 C ATOM 1073 C PRO A 68 2.774 -0.191 14.054 1.00 55.12 C ATOM 1074 O PRO A 68 3.375 0.663 13.405 1.00 24.32 O ATOM 1075 CB PRO A 68 0.454 0.387 14.894 1.00 25.14 C ATOM 1076 CG PRO A 68 0.050 -0.611 15.928 1.00 63.25 C ATOM 1077 CD PRO A 68 -0.130 -1.914 15.200 1.00 1.34 C ATOM 0 HA PRO A 68 1.076 -0.114 12.829 1.00 45.40 H new ATOM 0 HB2 PRO A 68 1.052 1.187 15.330 1.00 25.14 H new ATOM 0 HB3 PRO A 68 -0.417 0.854 14.435 1.00 25.14 H new ATOM 0 HG2 PRO A 68 0.811 -0.699 16.703 1.00 63.25 H new ATOM 0 HG3 PRO A 68 -0.874 -0.309 16.421 1.00 63.25 H new ATOM 0 HD2 PRO A 68 0.067 -2.769 15.847 1.00 1.34 H new ATOM 0 HD3 PRO A 68 -1.146 -2.029 14.821 1.00 1.34 H new ATOM 1085 N GLU A 69 3.375 -0.965 14.954 1.00 64.40 N ATOM 1086 CA GLU A 69 4.821 -0.916 15.184 1.00 43.35 C ATOM 1087 C GLU A 69 5.435 -2.327 15.115 1.00 4.32 C ATOM 1088 O GLU A 69 5.558 -3.024 16.126 1.00 65.23 O ATOM 1089 CB GLU A 69 5.132 -0.236 16.529 1.00 13.53 C ATOM 1090 CG GLU A 69 4.399 -0.838 17.725 1.00 64.34 C ATOM 1091 CD GLU A 69 4.702 -0.107 19.023 1.00 43.31 C ATOM 1092 OE1 GLU A 69 5.681 -0.473 19.709 1.00 64.42 O ATOM 1093 OE2 GLU A 69 3.968 0.846 19.359 1.00 11.20 O ATOM 0 H GLU A 69 2.882 -1.638 15.540 1.00 64.40 H new ATOM 0 HA GLU A 69 5.275 -0.319 14.393 1.00 43.35 H new ATOM 0 HB2 GLU A 69 6.205 -0.292 16.711 1.00 13.53 H new ATOM 0 HB3 GLU A 69 4.876 0.821 16.456 1.00 13.53 H new ATOM 0 HG2 GLU A 69 3.325 -0.812 17.539 1.00 64.34 H new ATOM 0 HG3 GLU A 69 4.679 -1.886 17.828 1.00 64.34 H new ATOM 1100 N PRO A 70 5.798 -2.777 13.900 1.00 14.51 N ATOM 1101 CA PRO A 70 6.370 -4.116 13.689 1.00 1.42 C ATOM 1102 C PRO A 70 7.826 -4.232 14.173 1.00 32.54 C ATOM 1103 O PRO A 70 8.706 -3.487 13.734 1.00 12.03 O ATOM 1104 CB PRO A 70 6.280 -4.294 12.168 1.00 43.31 C ATOM 1105 CG PRO A 70 6.349 -2.907 11.618 1.00 71.54 C ATOM 1106 CD PRO A 70 5.674 -2.020 12.634 1.00 55.14 C ATOM 0 HA PRO A 70 5.839 -4.880 14.257 1.00 1.42 H new ATOM 0 HB2 PRO A 70 7.097 -4.910 11.793 1.00 43.31 H new ATOM 0 HB3 PRO A 70 5.351 -4.788 11.882 1.00 43.31 H new ATOM 0 HG2 PRO A 70 7.383 -2.601 11.460 1.00 71.54 H new ATOM 0 HG3 PRO A 70 5.847 -2.845 10.652 1.00 71.54 H new ATOM 0 HD2 PRO A 70 6.160 -1.046 12.701 1.00 55.14 H new ATOM 0 HD3 PRO A 70 4.630 -1.839 12.377 1.00 55.14 H new ATOM 1114 N ARG A 71 8.072 -5.168 15.084 1.00 23.01 N ATOM 1115 CA ARG A 71 9.419 -5.409 15.608 1.00 62.34 C ATOM 1116 C ARG A 71 10.198 -6.375 14.697 1.00 12.23 C ATOM 1117 O ARG A 71 11.362 -6.138 14.362 1.00 23.12 O ATOM 1118 CB ARG A 71 9.332 -5.980 17.035 1.00 22.33 C ATOM 1119 CG ARG A 71 10.690 -6.274 17.671 1.00 32.12 C ATOM 1120 CD ARG A 71 11.517 -5.007 17.859 1.00 44.22 C ATOM 1121 NE ARG A 71 12.873 -5.294 18.324 1.00 64.13 N ATOM 1122 CZ ARG A 71 13.730 -4.377 18.676 1.00 62.42 C ATOM 1123 NH1 ARG A 71 13.382 -3.131 18.715 1.00 74.05 N ATOM 1124 NH2 ARG A 71 14.935 -4.705 19.008 1.00 30.40 N ATOM 0 H ARG A 71 7.355 -5.777 15.479 1.00 23.01 H new ATOM 0 HA ARG A 71 9.954 -4.460 15.634 1.00 62.34 H new ATOM 0 HB2 ARG A 71 8.792 -5.273 17.666 1.00 22.33 H new ATOM 0 HB3 ARG A 71 8.746 -6.899 17.012 1.00 22.33 H new ATOM 0 HG2 ARG A 71 10.541 -6.757 18.637 1.00 32.12 H new ATOM 0 HG3 ARG A 71 11.240 -6.976 17.045 1.00 32.12 H new ATOM 0 HD2 ARG A 71 11.566 -4.464 16.915 1.00 44.22 H new ATOM 0 HD3 ARG A 71 11.020 -4.354 18.576 1.00 44.22 H new ATOM 0 HE ARG A 71 13.166 -6.270 18.376 1.00 64.13 H new ATOM 0 HH11 ARG A 71 12.430 -2.859 18.469 1.00 74.05 H new ATOM 0 HH12 ARG A 71 14.060 -2.421 18.992 1.00 74.05 H new ATOM 0 HH21 ARG A 71 15.219 -5.685 18.995 1.00 30.40 H new ATOM 0 HH22 ARG A 71 15.602 -3.984 19.283 1.00 30.40 H new ATOM 1138 N SER A 72 9.540 -7.456 14.292 1.00 34.44 N ATOM 1139 CA SER A 72 10.168 -8.489 13.458 1.00 44.52 C ATOM 1140 C SER A 72 9.613 -8.473 12.025 1.00 13.21 C ATOM 1141 O SER A 72 8.604 -7.826 11.740 1.00 51.45 O ATOM 1142 CB SER A 72 9.957 -9.874 14.084 1.00 62.43 C ATOM 1143 OG SER A 72 10.481 -9.936 15.406 1.00 63.24 O ATOM 0 H SER A 72 8.566 -7.645 14.527 1.00 34.44 H new ATOM 0 HA SER A 72 11.235 -8.271 13.408 1.00 44.52 H new ATOM 0 HB2 SER A 72 8.892 -10.107 14.102 1.00 62.43 H new ATOM 0 HB3 SER A 72 10.439 -10.631 13.465 1.00 62.43 H new ATOM 0 HG SER A 72 10.329 -10.830 15.777 1.00 63.24 H new ATOM 1149 N GLU A 73 10.277 -9.209 11.133 1.00 1.35 N ATOM 1150 CA GLU A 73 9.925 -9.238 9.705 1.00 31.24 C ATOM 1151 C GLU A 73 8.482 -9.714 9.462 1.00 4.35 C ATOM 1152 O GLU A 73 7.716 -9.064 8.743 1.00 64.33 O ATOM 1153 CB GLU A 73 10.900 -10.156 8.958 1.00 72.13 C ATOM 1154 CG GLU A 73 10.620 -10.283 7.466 1.00 5.31 C ATOM 1155 CD GLU A 73 11.573 -11.244 6.779 1.00 51.12 C ATOM 1156 OE1 GLU A 73 12.741 -10.865 6.553 1.00 52.22 O ATOM 1157 OE2 GLU A 73 11.165 -12.384 6.472 1.00 53.30 O ATOM 0 H GLU A 73 11.072 -9.801 11.374 1.00 1.35 H new ATOM 0 HA GLU A 73 9.997 -8.217 9.331 1.00 31.24 H new ATOM 0 HB2 GLU A 73 11.914 -9.779 9.095 1.00 72.13 H new ATOM 0 HB3 GLU A 73 10.865 -11.148 9.409 1.00 72.13 H new ATOM 0 HG2 GLU A 73 9.595 -10.624 7.319 1.00 5.31 H new ATOM 0 HG3 GLU A 73 10.699 -9.301 6.999 1.00 5.31 H new ATOM 1164 N SER A 74 8.119 -10.851 10.060 1.00 42.42 N ATOM 1165 CA SER A 74 6.802 -11.469 9.834 1.00 71.32 C ATOM 1166 C SER A 74 5.648 -10.496 10.116 1.00 3.15 C ATOM 1167 O SER A 74 4.622 -10.532 9.437 1.00 35.23 O ATOM 1168 CB SER A 74 6.640 -12.737 10.684 1.00 32.05 C ATOM 1169 OG SER A 74 7.622 -13.706 10.348 1.00 45.34 O ATOM 0 H SER A 74 8.717 -11.366 10.706 1.00 42.42 H new ATOM 0 HA SER A 74 6.758 -11.738 8.779 1.00 71.32 H new ATOM 0 HB2 SER A 74 6.722 -12.483 11.741 1.00 32.05 H new ATOM 0 HB3 SER A 74 5.645 -13.155 10.533 1.00 32.05 H new ATOM 0 HG SER A 74 7.499 -14.503 10.904 1.00 45.34 H new ATOM 1175 N GLU A 75 5.817 -9.626 11.110 1.00 41.52 N ATOM 1176 CA GLU A 75 4.817 -8.592 11.409 1.00 52.14 C ATOM 1177 C GLU A 75 4.601 -7.657 10.207 1.00 23.51 C ATOM 1178 O GLU A 75 3.470 -7.474 9.750 1.00 15.50 O ATOM 1179 CB GLU A 75 5.241 -7.782 12.641 1.00 71.32 C ATOM 1180 CG GLU A 75 5.287 -8.597 13.928 1.00 72.34 C ATOM 1181 CD GLU A 75 5.699 -7.766 15.130 1.00 5.13 C ATOM 1182 OE1 GLU A 75 4.817 -7.168 15.778 1.00 63.23 O ATOM 1183 OE2 GLU A 75 6.906 -7.713 15.437 1.00 15.22 O ATOM 0 H GLU A 75 6.633 -9.613 11.722 1.00 41.52 H new ATOM 0 HA GLU A 75 3.872 -9.092 11.620 1.00 52.14 H new ATOM 0 HB2 GLU A 75 6.226 -7.351 12.460 1.00 71.32 H new ATOM 0 HB3 GLU A 75 4.549 -6.950 12.773 1.00 71.32 H new ATOM 0 HG2 GLU A 75 4.306 -9.034 14.112 1.00 72.34 H new ATOM 0 HG3 GLU A 75 5.987 -9.424 13.805 1.00 72.34 H new ATOM 1190 N CYS A 76 5.689 -7.079 9.693 1.00 64.05 N ATOM 1191 CA CYS A 76 5.618 -6.210 8.505 1.00 4.32 C ATOM 1192 C CYS A 76 4.924 -6.926 7.335 1.00 72.13 C ATOM 1193 O CYS A 76 4.028 -6.376 6.691 1.00 45.42 O ATOM 1194 CB CYS A 76 7.026 -5.772 8.074 1.00 65.43 C ATOM 1195 SG CYS A 76 7.963 -4.888 9.350 1.00 62.35 S ATOM 0 H CYS A 76 6.628 -7.193 10.075 1.00 64.05 H new ATOM 0 HA CYS A 76 5.032 -5.331 8.774 1.00 4.32 H new ATOM 0 HB2 CYS A 76 7.591 -6.654 7.772 1.00 65.43 H new ATOM 0 HB3 CYS A 76 6.941 -5.132 7.195 1.00 65.43 H new ATOM 0 HG CYS A 76 8.127 -3.650 8.989 1.00 62.35 H new ATOM 1201 N LEU A 77 5.341 -8.167 7.083 1.00 24.13 N ATOM 1202 CA LEU A 77 4.755 -8.992 6.021 1.00 5.23 C ATOM 1203 C LEU A 77 3.248 -9.220 6.239 1.00 61.23 C ATOM 1204 O LEU A 77 2.465 -9.193 5.287 1.00 60.44 O ATOM 1205 CB LEU A 77 5.485 -10.341 5.945 1.00 63.40 C ATOM 1206 CG LEU A 77 6.977 -10.254 5.589 1.00 20.24 C ATOM 1207 CD1 LEU A 77 7.634 -11.629 5.660 1.00 41.42 C ATOM 1208 CD2 LEU A 77 7.166 -9.641 4.205 1.00 3.52 C ATOM 0 H LEU A 77 6.088 -8.628 7.603 1.00 24.13 H new ATOM 0 HA LEU A 77 4.875 -8.456 5.079 1.00 5.23 H new ATOM 0 HB2 LEU A 77 5.385 -10.845 6.906 1.00 63.40 H new ATOM 0 HB3 LEU A 77 4.986 -10.966 5.204 1.00 63.40 H new ATOM 0 HG LEU A 77 7.461 -9.607 6.321 1.00 20.24 H new ATOM 0 HD11 LEU A 77 8.690 -11.541 5.404 1.00 41.42 H new ATOM 0 HD12 LEU A 77 7.537 -12.027 6.670 1.00 41.42 H new ATOM 0 HD13 LEU A 77 7.145 -12.303 4.957 1.00 41.42 H new ATOM 0 HD21 LEU A 77 8.230 -9.589 3.972 1.00 3.52 H new ATOM 0 HD22 LEU A 77 6.662 -10.259 3.462 1.00 3.52 H new ATOM 0 HD23 LEU A 77 6.742 -8.637 4.191 1.00 3.52 H new ATOM 1220 N SER A 78 2.852 -9.437 7.496 1.00 15.04 N ATOM 1221 CA SER A 78 1.434 -9.647 7.843 1.00 5.53 C ATOM 1222 C SER A 78 0.589 -8.420 7.492 1.00 43.15 C ATOM 1223 O SER A 78 -0.482 -8.547 6.901 1.00 14.33 O ATOM 1224 CB SER A 78 1.272 -9.969 9.336 1.00 52.02 C ATOM 1225 OG SER A 78 1.966 -11.156 9.689 1.00 4.33 O ATOM 0 H SER A 78 3.488 -9.473 8.293 1.00 15.04 H new ATOM 0 HA SER A 78 1.083 -10.496 7.256 1.00 5.53 H new ATOM 0 HB2 SER A 78 1.646 -9.136 9.932 1.00 52.02 H new ATOM 0 HB3 SER A 78 0.214 -10.080 9.573 1.00 52.02 H new ATOM 0 HG SER A 78 2.929 -11.019 9.573 1.00 4.33 H new ATOM 1231 N ASN A 79 1.084 -7.231 7.846 1.00 65.41 N ATOM 1232 CA ASN A 79 0.388 -5.974 7.528 1.00 42.32 C ATOM 1233 C ASN A 79 0.077 -5.877 6.027 1.00 75.13 C ATOM 1234 O ASN A 79 -1.018 -5.478 5.624 1.00 0.21 O ATOM 1235 CB ASN A 79 1.234 -4.771 7.959 1.00 40.43 C ATOM 1236 CG ASN A 79 1.558 -4.785 9.439 1.00 52.43 C ATOM 1237 OD1 ASN A 79 0.819 -5.333 10.244 1.00 40.33 O ATOM 1238 ND2 ASN A 79 2.662 -4.174 9.812 1.00 75.01 N ATOM 0 H ASN A 79 1.961 -7.109 8.352 1.00 65.41 H new ATOM 0 HA ASN A 79 -0.553 -5.967 8.077 1.00 42.32 H new ATOM 0 HB2 ASN A 79 2.162 -4.762 7.388 1.00 40.43 H new ATOM 0 HB3 ASN A 79 0.701 -3.852 7.716 1.00 40.43 H new ATOM 0 HD21 ASN A 79 2.922 -4.148 10.798 1.00 75.01 H new ATOM 0 HD22 ASN A 79 3.257 -3.726 9.115 1.00 75.01 H new ATOM 1245 N ILE A 80 1.055 -6.251 5.202 1.00 51.43 N ATOM 1246 CA ILE A 80 0.875 -6.272 3.749 1.00 63.52 C ATOM 1247 C ILE A 80 -0.146 -7.347 3.329 1.00 40.33 C ATOM 1248 O ILE A 80 -1.032 -7.090 2.512 1.00 32.32 O ATOM 1249 CB ILE A 80 2.215 -6.533 3.016 1.00 72.43 C ATOM 1250 CG1 ILE A 80 3.290 -5.534 3.482 1.00 62.34 C ATOM 1251 CG2 ILE A 80 2.021 -6.450 1.501 1.00 52.32 C ATOM 1252 CD1 ILE A 80 4.658 -5.770 2.869 1.00 15.42 C ATOM 0 H ILE A 80 1.981 -6.544 5.515 1.00 51.43 H new ATOM 0 HA ILE A 80 0.500 -5.289 3.464 1.00 63.52 H new ATOM 0 HB ILE A 80 2.554 -7.539 3.264 1.00 72.43 H new ATOM 0 HG12 ILE A 80 2.963 -4.523 3.237 1.00 62.34 H new ATOM 0 HG13 ILE A 80 3.375 -5.588 4.567 1.00 62.34 H new ATOM 0 HG21 ILE A 80 2.972 -6.636 1.002 1.00 52.32 H new ATOM 0 HG22 ILE A 80 1.293 -7.198 1.186 1.00 52.32 H new ATOM 0 HG23 ILE A 80 1.659 -5.457 1.234 1.00 52.32 H new ATOM 0 HD11 ILE A 80 5.359 -5.026 3.247 1.00 15.42 H new ATOM 0 HD12 ILE A 80 5.009 -6.767 3.135 1.00 15.42 H new ATOM 0 HD13 ILE A 80 4.590 -5.687 1.784 1.00 15.42 H new ATOM 1264 N ARG A 81 -0.019 -8.548 3.899 1.00 34.43 N ATOM 1265 CA ARG A 81 -0.932 -9.659 3.586 1.00 14.22 C ATOM 1266 C ARG A 81 -2.394 -9.301 3.923 1.00 63.43 C ATOM 1267 O ARG A 81 -3.318 -9.713 3.220 1.00 13.13 O ATOM 1268 CB ARG A 81 -0.505 -10.937 4.329 1.00 33.31 C ATOM 1269 CG ARG A 81 0.855 -11.497 3.893 1.00 54.30 C ATOM 1270 CD ARG A 81 0.841 -12.003 2.449 1.00 32.05 C ATOM 1271 NE ARG A 81 2.147 -12.529 2.038 1.00 42.45 N ATOM 1272 CZ ARG A 81 2.428 -12.979 0.840 1.00 42.21 C ATOM 1273 NH1 ARG A 81 1.535 -12.985 -0.099 1.00 53.15 N ATOM 1274 NH2 ARG A 81 3.618 -13.416 0.585 1.00 1.35 N ATOM 0 H ARG A 81 0.705 -8.779 4.579 1.00 34.43 H new ATOM 0 HA ARG A 81 -0.873 -9.843 2.513 1.00 14.22 H new ATOM 0 HB2 ARG A 81 -0.473 -10.728 5.398 1.00 33.31 H new ATOM 0 HB3 ARG A 81 -1.266 -11.703 4.177 1.00 33.31 H new ATOM 0 HG2 ARG A 81 1.614 -10.722 3.996 1.00 54.30 H new ATOM 0 HG3 ARG A 81 1.139 -12.312 4.558 1.00 54.30 H new ATOM 0 HD2 ARG A 81 0.087 -12.783 2.346 1.00 32.05 H new ATOM 0 HD3 ARG A 81 0.552 -11.190 1.783 1.00 32.05 H new ATOM 0 HE ARG A 81 2.891 -12.546 2.736 1.00 42.45 H new ATOM 0 HH11 ARG A 81 0.595 -12.636 0.089 1.00 53.15 H new ATOM 0 HH12 ARG A 81 1.772 -13.339 -1.026 1.00 53.15 H new ATOM 0 HH21 ARG A 81 4.331 -13.409 1.314 1.00 1.35 H new ATOM 0 HH22 ARG A 81 3.844 -13.768 -0.345 1.00 1.35 H new ATOM 1288 N GLU A 82 -2.595 -8.529 4.992 1.00 35.43 N ATOM 1289 CA GLU A 82 -3.931 -8.027 5.349 1.00 52.44 C ATOM 1290 C GLU A 82 -4.478 -7.079 4.274 1.00 21.54 C ATOM 1291 O GLU A 82 -5.645 -7.170 3.879 1.00 13.44 O ATOM 1292 CB GLU A 82 -3.888 -7.317 6.709 1.00 14.33 C ATOM 1293 CG GLU A 82 -3.807 -8.271 7.893 1.00 41.51 C ATOM 1294 CD GLU A 82 -5.044 -9.147 8.010 1.00 43.31 C ATOM 1295 OE1 GLU A 82 -6.061 -8.672 8.557 1.00 13.02 O ATOM 1296 OE2 GLU A 82 -5.016 -10.305 7.533 1.00 1.10 O ATOM 0 H GLU A 82 -1.853 -8.236 5.628 1.00 35.43 H new ATOM 0 HA GLU A 82 -4.602 -8.883 5.415 1.00 52.44 H new ATOM 0 HB2 GLU A 82 -3.028 -6.648 6.733 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -4.778 -6.696 6.814 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -2.925 -8.903 7.789 1.00 41.51 H new ATOM 0 HG3 GLU A 82 -3.682 -7.698 8.812 1.00 41.51 H new ATOM 1303 N PHE A 83 -3.631 -6.162 3.811 1.00 20.03 N ATOM 1304 CA PHE A 83 -3.976 -5.279 2.690 1.00 3.24 C ATOM 1305 C PHE A 83 -4.409 -6.106 1.466 1.00 63.43 C ATOM 1306 O PHE A 83 -5.400 -5.795 0.801 1.00 74.21 O ATOM 1307 CB PHE A 83 -2.768 -4.391 2.345 1.00 14.35 C ATOM 1308 CG PHE A 83 -2.964 -3.514 1.133 1.00 41.53 C ATOM 1309 CD1 PHE A 83 -3.776 -2.391 1.193 1.00 35.32 C ATOM 1310 CD2 PHE A 83 -2.330 -3.814 -0.068 1.00 4.44 C ATOM 1311 CE1 PHE A 83 -3.953 -1.586 0.084 1.00 31.43 C ATOM 1312 CE2 PHE A 83 -2.505 -3.011 -1.178 1.00 35.30 C ATOM 1313 CZ PHE A 83 -3.316 -1.898 -1.102 1.00 63.51 C ATOM 0 H PHE A 83 -2.698 -6.008 4.193 1.00 20.03 H new ATOM 0 HA PHE A 83 -4.813 -4.643 2.980 1.00 3.24 H new ATOM 0 HB2 PHE A 83 -2.541 -3.758 3.203 1.00 14.35 H new ATOM 0 HB3 PHE A 83 -1.899 -5.028 2.180 1.00 14.35 H new ATOM 0 HD1 PHE A 83 -4.276 -2.143 2.118 1.00 35.32 H new ATOM 0 HD2 PHE A 83 -1.694 -4.684 -0.133 1.00 4.44 H new ATOM 0 HE1 PHE A 83 -4.588 -0.715 0.144 1.00 31.43 H new ATOM 0 HE2 PHE A 83 -2.007 -3.254 -2.105 1.00 35.30 H new ATOM 0 HZ PHE A 83 -3.453 -1.270 -1.970 1.00 63.51 H new ATOM 1323 N LEU A 84 -3.662 -7.173 1.199 1.00 63.30 N ATOM 1324 CA LEU A 84 -3.977 -8.102 0.110 1.00 2.24 C ATOM 1325 C LEU A 84 -5.328 -8.796 0.350 1.00 2.42 C ATOM 1326 O LEU A 84 -6.133 -8.940 -0.571 1.00 13.21 O ATOM 1327 CB LEU A 84 -2.864 -9.151 -0.009 1.00 3.54 C ATOM 1328 CG LEU A 84 -1.448 -8.578 -0.175 1.00 13.10 C ATOM 1329 CD1 LEU A 84 -0.403 -9.689 -0.135 1.00 15.00 C ATOM 1330 CD2 LEU A 84 -1.341 -7.769 -1.467 1.00 65.33 C ATOM 0 H LEU A 84 -2.825 -7.420 1.726 1.00 63.30 H new ATOM 0 HA LEU A 84 -4.047 -7.535 -0.819 1.00 2.24 H new ATOM 0 HB2 LEU A 84 -2.883 -9.782 0.880 1.00 3.54 H new ATOM 0 HB3 LEU A 84 -3.082 -9.795 -0.861 1.00 3.54 H new ATOM 0 HG LEU A 84 -1.252 -7.906 0.661 1.00 13.10 H new ATOM 0 HD11 LEU A 84 0.591 -9.258 -0.255 1.00 15.00 H new ATOM 0 HD12 LEU A 84 -0.461 -10.208 0.822 1.00 15.00 H new ATOM 0 HD13 LEU A 84 -0.592 -10.395 -0.943 1.00 15.00 H new ATOM 0 HD21 LEU A 84 -0.331 -7.372 -1.565 1.00 65.33 H new ATOM 0 HD22 LEU A 84 -1.563 -8.412 -2.319 1.00 65.33 H new ATOM 0 HD23 LEU A 84 -2.054 -6.945 -1.440 1.00 65.33 H new ATOM 1342 N ARG A 85 -5.564 -9.216 1.598 1.00 63.31 N ATOM 1343 CA ARG A 85 -6.824 -9.867 1.982 1.00 52.22 C ATOM 1344 C ARG A 85 -8.033 -8.994 1.610 1.00 42.14 C ATOM 1345 O ARG A 85 -8.949 -9.436 0.917 1.00 15.10 O ATOM 1346 CB ARG A 85 -6.856 -10.141 3.499 1.00 64.33 C ATOM 1347 CG ARG A 85 -8.125 -10.865 3.965 1.00 52.50 C ATOM 1348 CD ARG A 85 -8.558 -10.450 5.372 1.00 33.11 C ATOM 1349 NE ARG A 85 -7.621 -10.868 6.413 1.00 74.52 N ATOM 1350 CZ ARG A 85 -7.951 -11.602 7.443 1.00 44.35 C ATOM 1351 NH1 ARG A 85 -9.154 -12.080 7.555 1.00 11.32 N ATOM 1352 NH2 ARG A 85 -7.079 -11.856 8.362 1.00 43.22 N ATOM 0 H ARG A 85 -4.897 -9.117 2.363 1.00 63.31 H new ATOM 0 HA ARG A 85 -6.881 -10.810 1.438 1.00 52.22 H new ATOM 0 HB2 ARG A 85 -5.986 -10.739 3.770 1.00 64.33 H new ATOM 0 HB3 ARG A 85 -6.771 -9.194 4.033 1.00 64.33 H new ATOM 0 HG2 ARG A 85 -8.934 -10.659 3.265 1.00 52.50 H new ATOM 0 HG3 ARG A 85 -7.953 -11.941 3.945 1.00 52.50 H new ATOM 0 HD2 ARG A 85 -8.668 -9.366 5.406 1.00 33.11 H new ATOM 0 HD3 ARG A 85 -9.539 -10.876 5.583 1.00 33.11 H new ATOM 0 HE ARG A 85 -6.649 -10.568 6.331 1.00 74.52 H new ATOM 0 HH11 ARG A 85 -9.850 -11.883 6.836 1.00 11.32 H new ATOM 0 HH12 ARG A 85 -9.402 -12.652 8.362 1.00 11.32 H new ATOM 0 HH21 ARG A 85 -6.133 -11.484 8.284 1.00 43.22 H new ATOM 0 HH22 ARG A 85 -7.337 -12.429 9.166 1.00 43.22 H new ATOM 1366 N GLY A 86 -8.019 -7.748 2.078 1.00 11.34 N ATOM 1367 CA GLY A 86 -9.138 -6.843 1.844 1.00 1.43 C ATOM 1368 C GLY A 86 -9.358 -6.507 0.371 1.00 51.10 C ATOM 1369 O GLY A 86 -10.465 -6.664 -0.149 1.00 4.43 O ATOM 0 H GLY A 86 -7.252 -7.346 2.617 1.00 11.34 H new ATOM 0 HA2 GLY A 86 -10.047 -7.292 2.245 1.00 1.43 H new ATOM 0 HA3 GLY A 86 -8.968 -5.919 2.397 1.00 1.43 H new ATOM 1373 N CYS A 87 -8.310 -6.045 -0.306 1.00 24.21 N ATOM 1374 CA CYS A 87 -8.411 -5.685 -1.727 1.00 54.23 C ATOM 1375 C CYS A 87 -8.809 -6.892 -2.594 1.00 33.43 C ATOM 1376 O CYS A 87 -9.625 -6.772 -3.511 1.00 65.40 O ATOM 1377 CB CYS A 87 -7.080 -5.104 -2.221 1.00 64.42 C ATOM 1378 SG CYS A 87 -6.557 -3.605 -1.357 1.00 61.51 S ATOM 0 H CYS A 87 -7.384 -5.910 0.099 1.00 24.21 H new ATOM 0 HA CYS A 87 -9.194 -4.933 -1.821 1.00 54.23 H new ATOM 0 HB2 CYS A 87 -6.304 -5.861 -2.113 1.00 64.42 H new ATOM 0 HB3 CYS A 87 -7.165 -4.885 -3.285 1.00 64.42 H new ATOM 0 HG CYS A 87 -5.290 -3.403 -1.567 1.00 61.51 H new ATOM 1384 N GLY A 88 -8.233 -8.053 -2.291 1.00 64.41 N ATOM 1385 CA GLY A 88 -8.505 -9.263 -3.066 1.00 70.01 C ATOM 1386 C GLY A 88 -9.887 -9.870 -2.810 1.00 3.42 C ATOM 1387 O GLY A 88 -10.494 -10.445 -3.715 1.00 43.12 O ATOM 0 H GLY A 88 -7.579 -8.182 -1.519 1.00 64.41 H new ATOM 0 HA2 GLY A 88 -8.413 -9.031 -4.127 1.00 70.01 H new ATOM 0 HA3 GLY A 88 -7.744 -10.008 -2.835 1.00 70.01 H new ATOM 1391 N ALA A 89 -10.388 -9.747 -1.581 1.00 13.32 N ATOM 1392 CA ALA A 89 -11.685 -10.338 -1.204 1.00 44.23 C ATOM 1393 C ALA A 89 -12.861 -9.369 -1.420 1.00 73.24 C ATOM 1394 O ALA A 89 -13.903 -9.750 -1.952 1.00 32.44 O ATOM 1395 CB ALA A 89 -11.646 -10.799 0.250 1.00 72.52 C ATOM 0 H ALA A 89 -9.921 -9.245 -0.826 1.00 13.32 H new ATOM 0 HA ALA A 89 -11.851 -11.194 -1.858 1.00 44.23 H new ATOM 0 HB1 ALA A 89 -12.608 -11.234 0.520 1.00 72.52 H new ATOM 0 HB2 ALA A 89 -10.862 -11.546 0.374 1.00 72.52 H new ATOM 0 HB3 ALA A 89 -11.440 -9.946 0.897 1.00 72.52 H new ATOM 1401 N SER A 90 -12.694 -8.119 -0.993 1.00 63.40 N ATOM 1402 CA SER A 90 -13.764 -7.110 -1.089 1.00 71.14 C ATOM 1403 C SER A 90 -13.831 -6.473 -2.485 1.00 52.11 C ATOM 1404 O SER A 90 -14.868 -6.510 -3.151 1.00 32.45 O ATOM 1405 CB SER A 90 -13.561 -6.019 -0.032 1.00 54.23 C ATOM 1406 OG SER A 90 -14.561 -5.020 -0.118 1.00 73.51 O ATOM 0 H SER A 90 -11.830 -7.774 -0.576 1.00 63.40 H new ATOM 0 HA SER A 90 -14.709 -7.623 -0.910 1.00 71.14 H new ATOM 0 HB2 SER A 90 -13.577 -6.466 0.962 1.00 54.23 H new ATOM 0 HB3 SER A 90 -12.579 -5.564 -0.161 1.00 54.23 H new ATOM 0 HG SER A 90 -14.719 -4.638 0.771 1.00 73.51 H new ATOM 1412 N LEU A 91 -12.721 -5.884 -2.926 1.00 45.13 N ATOM 1413 CA LEU A 91 -12.651 -5.255 -4.253 1.00 23.20 C ATOM 1414 C LEU A 91 -12.368 -6.280 -5.362 1.00 5.44 C ATOM 1415 O LEU A 91 -12.576 -5.994 -6.542 1.00 23.32 O ATOM 1416 CB LEU A 91 -11.587 -4.148 -4.257 1.00 65.13 C ATOM 1417 CG LEU A 91 -12.042 -2.807 -3.658 1.00 74.34 C ATOM 1418 CD1 LEU A 91 -10.847 -1.894 -3.397 1.00 51.45 C ATOM 1419 CD2 LEU A 91 -13.038 -2.123 -4.596 1.00 41.12 C ATOM 0 H LEU A 91 -11.856 -5.827 -2.388 1.00 45.13 H new ATOM 0 HA LEU A 91 -13.626 -4.815 -4.462 1.00 23.20 H new ATOM 0 HB2 LEU A 91 -10.717 -4.499 -3.703 1.00 65.13 H new ATOM 0 HB3 LEU A 91 -11.264 -3.979 -5.284 1.00 65.13 H new ATOM 0 HG LEU A 91 -12.532 -3.005 -2.705 1.00 74.34 H new ATOM 0 HD11 LEU A 91 -11.195 -0.952 -2.973 1.00 51.45 H new ATOM 0 HD12 LEU A 91 -10.166 -2.377 -2.697 1.00 51.45 H new ATOM 0 HD13 LEU A 91 -10.326 -1.700 -4.334 1.00 51.45 H new ATOM 0 HD21 LEU A 91 -13.354 -1.174 -4.162 1.00 41.12 H new ATOM 0 HD22 LEU A 91 -12.564 -1.941 -5.560 1.00 41.12 H new ATOM 0 HD23 LEU A 91 -13.907 -2.766 -4.735 1.00 41.12 H new ATOM 1431 N ARG A 92 -11.878 -7.461 -4.978 1.00 34.51 N ATOM 1432 CA ARG A 92 -11.676 -8.570 -5.924 1.00 63.12 C ATOM 1433 C ARG A 92 -10.686 -8.185 -7.049 1.00 60.10 C ATOM 1434 O ARG A 92 -10.732 -8.723 -8.155 1.00 12.41 O ATOM 1435 CB ARG A 92 -13.043 -8.995 -6.501 1.00 73.03 C ATOM 1436 CG ARG A 92 -13.046 -10.302 -7.299 1.00 52.22 C ATOM 1437 CD ARG A 92 -12.620 -11.511 -6.464 1.00 5.35 C ATOM 1438 NE ARG A 92 -11.175 -11.550 -6.238 1.00 52.23 N ATOM 1439 CZ ARG A 92 -10.321 -12.047 -7.090 1.00 73.32 C ATOM 1440 NH1 ARG A 92 -10.731 -12.566 -8.205 1.00 5.33 N ATOM 1441 NH2 ARG A 92 -9.056 -12.029 -6.829 1.00 52.14 N ATOM 0 H ARG A 92 -11.612 -7.678 -4.017 1.00 34.51 H new ATOM 0 HA ARG A 92 -11.232 -9.412 -5.393 1.00 63.12 H new ATOM 0 HB2 ARG A 92 -13.751 -9.091 -5.678 1.00 73.03 H new ATOM 0 HB3 ARG A 92 -13.410 -8.196 -7.145 1.00 73.03 H new ATOM 0 HG2 ARG A 92 -14.046 -10.476 -7.697 1.00 52.22 H new ATOM 0 HG3 ARG A 92 -12.376 -10.202 -8.153 1.00 52.22 H new ATOM 0 HD2 ARG A 92 -13.135 -11.486 -5.504 1.00 5.35 H new ATOM 0 HD3 ARG A 92 -12.931 -12.426 -6.969 1.00 5.35 H new ATOM 0 HE ARG A 92 -10.815 -11.167 -5.364 1.00 52.23 H new ATOM 0 HH11 ARG A 92 -11.728 -12.588 -8.421 1.00 5.33 H new ATOM 0 HH12 ARG A 92 -10.057 -12.952 -8.866 1.00 5.33 H new ATOM 0 HH21 ARG A 92 -8.721 -11.625 -5.954 1.00 52.14 H new ATOM 0 HH22 ARG A 92 -8.392 -12.419 -7.498 1.00 52.14 H new ATOM 1455 N LEU A 93 -9.770 -7.265 -6.744 1.00 73.43 N ATOM 1456 CA LEU A 93 -8.802 -6.778 -7.736 1.00 64.51 C ATOM 1457 C LEU A 93 -7.468 -7.543 -7.671 1.00 11.15 C ATOM 1458 O LEU A 93 -7.212 -8.293 -6.728 1.00 22.01 O ATOM 1459 CB LEU A 93 -8.585 -5.259 -7.561 1.00 70.30 C ATOM 1460 CG LEU A 93 -8.160 -4.778 -6.153 1.00 5.12 C ATOM 1461 CD1 LEU A 93 -6.680 -5.042 -5.884 1.00 35.32 C ATOM 1462 CD2 LEU A 93 -8.476 -3.295 -5.970 1.00 42.31 C ATOM 0 H LEU A 93 -9.676 -6.841 -5.821 1.00 73.43 H new ATOM 0 HA LEU A 93 -9.217 -6.963 -8.727 1.00 64.51 H new ATOM 0 HB2 LEU A 93 -7.825 -4.939 -8.274 1.00 70.30 H new ATOM 0 HB3 LEU A 93 -9.510 -4.749 -7.830 1.00 70.30 H new ATOM 0 HG LEU A 93 -8.736 -5.353 -5.428 1.00 5.12 H new ATOM 0 HD11 LEU A 93 -6.423 -4.689 -4.885 1.00 35.32 H new ATOM 0 HD12 LEU A 93 -6.483 -6.112 -5.953 1.00 35.32 H new ATOM 0 HD13 LEU A 93 -6.076 -4.513 -6.622 1.00 35.32 H new ATOM 0 HD21 LEU A 93 -8.169 -2.978 -4.973 1.00 42.31 H new ATOM 0 HD22 LEU A 93 -7.937 -2.713 -6.718 1.00 42.31 H new ATOM 0 HD23 LEU A 93 -9.548 -3.134 -6.088 1.00 42.31 H new ATOM 1474 N GLU A 94 -6.625 -7.344 -8.685 1.00 32.43 N ATOM 1475 CA GLU A 94 -5.313 -8.002 -8.757 1.00 25.55 C ATOM 1476 C GLU A 94 -4.387 -7.557 -7.608 1.00 10.04 C ATOM 1477 O GLU A 94 -4.220 -6.362 -7.350 1.00 75.13 O ATOM 1478 CB GLU A 94 -4.659 -7.718 -10.120 1.00 33.14 C ATOM 1479 CG GLU A 94 -4.450 -6.233 -10.412 1.00 42.33 C ATOM 1480 CD GLU A 94 -3.992 -5.976 -11.839 1.00 60.12 C ATOM 1481 OE1 GLU A 94 -2.775 -6.065 -12.106 1.00 15.11 O ATOM 1482 OE2 GLU A 94 -4.856 -5.698 -12.700 1.00 70.21 O ATOM 0 H GLU A 94 -6.826 -6.729 -9.474 1.00 32.43 H new ATOM 0 HA GLU A 94 -5.468 -9.076 -8.650 1.00 25.55 H new ATOM 0 HB2 GLU A 94 -3.695 -8.225 -10.162 1.00 33.14 H new ATOM 0 HB3 GLU A 94 -5.280 -8.148 -10.906 1.00 33.14 H new ATOM 0 HG2 GLU A 94 -5.381 -5.696 -10.231 1.00 42.33 H new ATOM 0 HG3 GLU A 94 -3.711 -5.831 -9.719 1.00 42.33 H new ATOM 1489 N THR A 95 -3.786 -8.527 -6.922 1.00 71.31 N ATOM 1490 CA THR A 95 -2.934 -8.250 -5.754 1.00 63.34 C ATOM 1491 C THR A 95 -1.461 -8.625 -5.998 1.00 23.21 C ATOM 1492 O THR A 95 -1.068 -8.985 -7.108 1.00 73.41 O ATOM 1493 CB THR A 95 -3.445 -9.007 -4.502 1.00 73.55 C ATOM 1494 OG1 THR A 95 -3.512 -10.416 -4.772 1.00 23.14 O ATOM 1495 CG2 THR A 95 -4.820 -8.502 -4.076 1.00 42.15 C ATOM 0 H THR A 95 -3.870 -9.517 -7.151 1.00 71.31 H new ATOM 0 HA THR A 95 -2.990 -7.175 -5.586 1.00 63.34 H new ATOM 0 HB THR A 95 -2.743 -8.824 -3.688 1.00 73.55 H new ATOM 0 HG1 THR A 95 -3.834 -10.887 -3.975 1.00 23.14 H new ATOM 0 HG21 THR A 95 -5.153 -9.051 -3.195 1.00 42.15 H new ATOM 0 HG22 THR A 95 -4.760 -7.440 -3.840 1.00 42.15 H new ATOM 0 HG23 THR A 95 -5.531 -8.654 -4.888 1.00 42.15 H new ATOM 1503 N PHE A 96 -0.652 -8.515 -4.942 1.00 5.13 N ATOM 1504 CA PHE A 96 0.785 -8.833 -4.988 1.00 74.11 C ATOM 1505 C PHE A 96 1.197 -9.631 -3.739 1.00 33.23 C ATOM 1506 O PHE A 96 0.350 -9.982 -2.922 1.00 34.02 O ATOM 1507 CB PHE A 96 1.617 -7.544 -5.106 1.00 74.02 C ATOM 1508 CG PHE A 96 1.410 -6.561 -3.979 1.00 34.14 C ATOM 1509 CD1 PHE A 96 0.366 -5.646 -4.021 1.00 71.13 C ATOM 1510 CD2 PHE A 96 2.260 -6.546 -2.882 1.00 65.34 C ATOM 1511 CE1 PHE A 96 0.175 -4.740 -2.996 1.00 42.23 C ATOM 1512 CE2 PHE A 96 2.073 -5.642 -1.854 1.00 13.33 C ATOM 1513 CZ PHE A 96 1.030 -4.738 -1.911 1.00 53.42 C ATOM 0 H PHE A 96 -0.972 -8.202 -4.025 1.00 5.13 H new ATOM 0 HA PHE A 96 0.977 -9.447 -5.868 1.00 74.11 H new ATOM 0 HB2 PHE A 96 2.673 -7.811 -5.150 1.00 74.02 H new ATOM 0 HB3 PHE A 96 1.373 -7.054 -6.048 1.00 74.02 H new ATOM 0 HD1 PHE A 96 -0.306 -5.643 -4.867 1.00 71.13 H new ATOM 0 HD2 PHE A 96 3.078 -7.250 -2.831 1.00 65.34 H new ATOM 0 HE1 PHE A 96 -0.641 -4.034 -3.043 1.00 42.23 H new ATOM 0 HE2 PHE A 96 2.742 -5.642 -1.006 1.00 13.33 H new ATOM 0 HZ PHE A 96 0.883 -4.031 -1.108 1.00 53.42 H new ATOM 1523 N ASP A 97 2.483 -9.954 -3.604 1.00 5.23 N ATOM 1524 CA ASP A 97 2.967 -10.678 -2.421 1.00 40.41 C ATOM 1525 C ASP A 97 3.788 -9.766 -1.500 1.00 62.33 C ATOM 1526 O ASP A 97 4.596 -8.961 -1.958 1.00 71.14 O ATOM 1527 CB ASP A 97 3.803 -11.892 -2.832 1.00 72.30 C ATOM 1528 CG ASP A 97 2.962 -12.979 -3.465 1.00 71.32 C ATOM 1529 OD1 ASP A 97 2.325 -13.750 -2.715 1.00 13.13 O ATOM 1530 OD2 ASP A 97 2.928 -13.065 -4.712 1.00 72.32 O ATOM 0 H ASP A 97 3.205 -9.730 -4.289 1.00 5.23 H new ATOM 0 HA ASP A 97 2.091 -11.020 -1.869 1.00 40.41 H new ATOM 0 HB2 ASP A 97 4.575 -11.578 -3.534 1.00 72.30 H new ATOM 0 HB3 ASP A 97 4.312 -12.293 -1.956 1.00 72.30 H new ATOM 1535 N ALA A 98 3.592 -9.915 -0.193 1.00 52.21 N ATOM 1536 CA ALA A 98 4.330 -9.129 0.802 1.00 41.35 C ATOM 1537 C ALA A 98 5.850 -9.220 0.596 1.00 34.43 C ATOM 1538 O ALA A 98 6.591 -8.294 0.926 1.00 5.13 O ATOM 1539 CB ALA A 98 3.959 -9.593 2.204 1.00 43.04 C ATOM 0 H ALA A 98 2.926 -10.575 0.207 1.00 52.21 H new ATOM 0 HA ALA A 98 4.048 -8.084 0.676 1.00 41.35 H new ATOM 0 HB1 ALA A 98 4.510 -9.006 2.939 1.00 43.04 H new ATOM 0 HB2 ALA A 98 2.889 -9.458 2.360 1.00 43.04 H new ATOM 0 HB3 ALA A 98 4.213 -10.647 2.317 1.00 43.04 H new ATOM 1545 N ASN A 99 6.303 -10.338 0.034 1.00 71.33 N ATOM 1546 CA ASN A 99 7.733 -10.574 -0.175 1.00 71.24 C ATOM 1547 C ASN A 99 8.329 -9.646 -1.248 1.00 24.23 C ATOM 1548 O ASN A 99 9.390 -9.052 -1.038 1.00 72.22 O ATOM 1549 CB ASN A 99 7.983 -12.040 -0.548 1.00 71.14 C ATOM 1550 CG ASN A 99 7.492 -12.997 0.524 1.00 4.42 C ATOM 1551 OD1 ASN A 99 7.442 -12.661 1.704 1.00 64.14 O ATOM 1552 ND2 ASN A 99 7.121 -14.195 0.130 1.00 55.13 N ATOM 0 H ASN A 99 5.701 -11.097 -0.286 1.00 71.33 H new ATOM 0 HA ASN A 99 8.235 -10.348 0.766 1.00 71.24 H new ATOM 0 HB2 ASN A 99 7.482 -12.264 -1.490 1.00 71.14 H new ATOM 0 HB3 ASN A 99 9.050 -12.195 -0.710 1.00 71.14 H new ATOM 0 HD21 ASN A 99 6.781 -14.873 0.811 1.00 55.13 H new ATOM 0 HD22 ASN A 99 7.173 -14.446 -0.857 1.00 55.13 H new ATOM 1559 N ASP A 100 7.655 -9.505 -2.393 1.00 22.43 N ATOM 1560 CA ASP A 100 8.192 -8.686 -3.487 1.00 43.22 C ATOM 1561 C ASP A 100 8.217 -7.190 -3.124 1.00 5.33 C ATOM 1562 O ASP A 100 9.107 -6.458 -3.556 1.00 11.41 O ATOM 1563 CB ASP A 100 7.437 -8.933 -4.807 1.00 61.10 C ATOM 1564 CG ASP A 100 5.924 -8.847 -4.686 1.00 10.33 C ATOM 1565 OD1 ASP A 100 5.403 -7.743 -4.466 1.00 43.33 O ATOM 1566 OD2 ASP A 100 5.255 -9.897 -4.837 1.00 0.51 O ATOM 0 H ASP A 100 6.752 -9.938 -2.587 1.00 22.43 H new ATOM 0 HA ASP A 100 9.225 -8.998 -3.640 1.00 43.22 H new ATOM 0 HB2 ASP A 100 7.773 -8.206 -5.546 1.00 61.10 H new ATOM 0 HB3 ASP A 100 7.704 -9.919 -5.186 1.00 61.10 H new ATOM 1571 N LEU A 101 7.255 -6.741 -2.323 1.00 33.13 N ATOM 1572 CA LEU A 101 7.263 -5.362 -1.817 1.00 32.34 C ATOM 1573 C LEU A 101 8.339 -5.165 -0.733 1.00 75.30 C ATOM 1574 O LEU A 101 9.177 -4.265 -0.830 1.00 3.11 O ATOM 1575 CB LEU A 101 5.882 -4.991 -1.257 1.00 44.10 C ATOM 1576 CG LEU A 101 5.780 -3.587 -0.627 1.00 32.54 C ATOM 1577 CD1 LEU A 101 6.146 -2.496 -1.635 1.00 4.10 C ATOM 1578 CD2 LEU A 101 4.379 -3.353 -0.065 1.00 62.03 C ATOM 0 H LEU A 101 6.464 -7.303 -2.009 1.00 33.13 H new ATOM 0 HA LEU A 101 7.501 -4.705 -2.653 1.00 32.34 H new ATOM 0 HB2 LEU A 101 5.151 -5.064 -2.062 1.00 44.10 H new ATOM 0 HB3 LEU A 101 5.603 -5.729 -0.505 1.00 44.10 H new ATOM 0 HG LEU A 101 6.497 -3.535 0.193 1.00 32.54 H new ATOM 0 HD11 LEU A 101 6.064 -1.519 -1.159 1.00 4.10 H new ATOM 0 HD12 LEU A 101 7.169 -2.647 -1.979 1.00 4.10 H new ATOM 0 HD13 LEU A 101 5.466 -2.544 -2.486 1.00 4.10 H new ATOM 0 HD21 LEU A 101 4.325 -2.357 0.376 1.00 62.03 H new ATOM 0 HD22 LEU A 101 3.647 -3.434 -0.868 1.00 62.03 H new ATOM 0 HD23 LEU A 101 4.164 -4.100 0.699 1.00 62.03 H new ATOM 1590 N TYR A 102 8.328 -6.030 0.280 1.00 11.31 N ATOM 1591 CA TYR A 102 9.245 -5.916 1.425 1.00 42.41 C ATOM 1592 C TYR A 102 10.721 -6.039 1.000 1.00 45.22 C ATOM 1593 O TYR A 102 11.606 -5.462 1.630 1.00 11.43 O ATOM 1594 CB TYR A 102 8.907 -6.994 2.466 1.00 34.41 C ATOM 1595 CG TYR A 102 9.622 -6.834 3.798 1.00 62.05 C ATOM 1596 CD1 TYR A 102 9.173 -5.913 4.739 1.00 61.12 C ATOM 1597 CD2 TYR A 102 10.739 -7.602 4.119 1.00 14.10 C ATOM 1598 CE1 TYR A 102 9.810 -5.763 5.956 1.00 31.44 C ATOM 1599 CE2 TYR A 102 11.381 -7.455 5.336 1.00 62.10 C ATOM 1600 CZ TYR A 102 10.912 -6.532 6.250 1.00 64.02 C ATOM 1601 OH TYR A 102 11.549 -6.382 7.465 1.00 3.23 O ATOM 0 H TYR A 102 7.691 -6.825 0.335 1.00 11.31 H new ATOM 0 HA TYR A 102 9.113 -4.925 1.859 1.00 42.41 H new ATOM 0 HB2 TYR A 102 7.831 -6.985 2.643 1.00 34.41 H new ATOM 0 HB3 TYR A 102 9.154 -7.971 2.051 1.00 34.41 H new ATOM 0 HD1 TYR A 102 8.310 -5.304 4.514 1.00 61.12 H new ATOM 0 HD2 TYR A 102 11.110 -8.324 3.406 1.00 14.10 H new ATOM 0 HE1 TYR A 102 9.444 -5.044 6.674 1.00 31.44 H new ATOM 0 HE2 TYR A 102 12.245 -8.059 5.570 1.00 62.10 H new ATOM 0 HH TYR A 102 12.308 -7.000 7.515 1.00 3.23 H new ATOM 1611 N GLN A 103 10.978 -6.803 -0.062 1.00 20.40 N ATOM 1612 CA GLN A 103 12.346 -7.007 -0.565 1.00 33.12 C ATOM 1613 C GLN A 103 12.658 -6.123 -1.788 1.00 73.25 C ATOM 1614 O GLN A 103 13.762 -6.171 -2.333 1.00 1.44 O ATOM 1615 CB GLN A 103 12.554 -8.489 -0.916 1.00 72.13 C ATOM 1616 CG GLN A 103 12.476 -9.423 0.289 1.00 64.43 C ATOM 1617 CD GLN A 103 13.643 -9.240 1.247 1.00 42.22 C ATOM 1618 OE1 GLN A 103 14.663 -9.910 1.136 1.00 74.52 O ATOM 1619 NE2 GLN A 103 13.509 -8.324 2.185 1.00 54.13 N ATOM 0 H GLN A 103 10.259 -7.293 -0.594 1.00 20.40 H new ATOM 0 HA GLN A 103 13.035 -6.714 0.227 1.00 33.12 H new ATOM 0 HB2 GLN A 103 11.802 -8.789 -1.646 1.00 72.13 H new ATOM 0 HB3 GLN A 103 13.527 -8.607 -1.393 1.00 72.13 H new ATOM 0 HG2 GLN A 103 11.542 -9.245 0.822 1.00 64.43 H new ATOM 0 HG3 GLN A 103 12.454 -10.456 -0.058 1.00 64.43 H new ATOM 0 HE21 GLN A 103 12.647 -7.783 2.250 1.00 54.13 H new ATOM 0 HE22 GLN A 103 14.268 -8.156 2.846 1.00 54.13 H new ATOM 1628 N GLY A 104 11.683 -5.320 -2.215 1.00 13.10 N ATOM 1629 CA GLY A 104 11.883 -4.426 -3.356 1.00 40.42 C ATOM 1630 C GLY A 104 12.200 -5.164 -4.656 1.00 71.32 C ATOM 1631 O GLY A 104 13.103 -4.776 -5.398 1.00 63.33 O ATOM 0 H GLY A 104 10.756 -5.270 -1.793 1.00 13.10 H new ATOM 0 HA2 GLY A 104 10.986 -3.824 -3.498 1.00 40.42 H new ATOM 0 HA3 GLY A 104 12.697 -3.737 -3.130 1.00 40.42 H new ATOM 1635 N GLN A 105 11.459 -6.234 -4.924 1.00 1.03 N ATOM 1636 CA GLN A 105 11.655 -7.037 -6.135 1.00 52.13 C ATOM 1637 C GLN A 105 10.649 -6.650 -7.238 1.00 72.02 C ATOM 1638 O GLN A 105 10.938 -5.814 -8.096 1.00 45.42 O ATOM 1639 CB GLN A 105 11.527 -8.532 -5.795 1.00 12.52 C ATOM 1640 CG GLN A 105 12.513 -9.015 -4.734 1.00 64.21 C ATOM 1641 CD GLN A 105 13.962 -8.936 -5.189 1.00 73.34 C ATOM 1642 OE1 GLN A 105 14.264 -9.070 -6.369 1.00 11.03 O ATOM 1643 NE2 GLN A 105 14.870 -8.711 -4.260 1.00 33.41 N ATOM 0 H GLN A 105 10.711 -6.570 -4.317 1.00 1.03 H new ATOM 0 HA GLN A 105 12.656 -6.838 -6.517 1.00 52.13 H new ATOM 0 HB2 GLN A 105 10.512 -8.730 -5.450 1.00 12.52 H new ATOM 0 HB3 GLN A 105 11.674 -9.115 -6.704 1.00 12.52 H new ATOM 0 HG2 GLN A 105 12.388 -8.417 -3.831 1.00 64.21 H new ATOM 0 HG3 GLN A 105 12.277 -10.046 -4.469 1.00 64.21 H new ATOM 0 HE21 GLN A 105 14.587 -8.604 -3.286 1.00 33.41 H new ATOM 0 HE22 GLN A 105 15.855 -8.644 -4.515 1.00 33.41 H new ATOM 1652 N ASN A 106 9.455 -7.240 -7.196 1.00 1.12 N ATOM 1653 CA ASN A 106 8.430 -6.986 -8.217 1.00 42.42 C ATOM 1654 C ASN A 106 7.564 -5.769 -7.862 1.00 72.32 C ATOM 1655 O ASN A 106 6.369 -5.904 -7.598 1.00 32.05 O ATOM 1656 CB ASN A 106 7.528 -8.212 -8.385 1.00 34.10 C ATOM 1657 CG ASN A 106 8.272 -9.450 -8.836 1.00 15.34 C ATOM 1658 OD1 ASN A 106 9.274 -9.370 -9.536 1.00 11.52 O ATOM 1659 ND2 ASN A 106 7.782 -10.607 -8.437 1.00 55.31 N ATOM 0 H ASN A 106 9.171 -7.896 -6.469 1.00 1.12 H new ATOM 0 HA ASN A 106 8.951 -6.779 -9.152 1.00 42.42 H new ATOM 0 HB2 ASN A 106 7.032 -8.421 -7.437 1.00 34.10 H new ATOM 0 HB3 ASN A 106 6.747 -7.982 -9.110 1.00 34.10 H new ATOM 0 HD21 ASN A 106 8.240 -11.476 -8.711 1.00 55.31 H new ATOM 0 HD22 ASN A 106 6.945 -10.633 -7.854 1.00 55.31 H new ATOM 1666 N PHE A 107 8.160 -4.579 -7.868 1.00 55.32 N ATOM 1667 CA PHE A 107 7.412 -3.358 -7.551 1.00 65.35 C ATOM 1668 C PHE A 107 6.256 -3.135 -8.539 1.00 11.53 C ATOM 1669 O PHE A 107 5.245 -2.522 -8.197 1.00 52.52 O ATOM 1670 CB PHE A 107 8.338 -2.136 -7.539 1.00 12.42 C ATOM 1671 CG PHE A 107 7.638 -0.869 -7.109 1.00 53.05 C ATOM 1672 CD1 PHE A 107 7.398 -0.618 -5.765 1.00 65.13 C ATOM 1673 CD2 PHE A 107 7.207 0.062 -8.046 1.00 73.13 C ATOM 1674 CE1 PHE A 107 6.746 0.530 -5.366 1.00 63.35 C ATOM 1675 CE2 PHE A 107 6.555 1.213 -7.650 1.00 0.25 C ATOM 1676 CZ PHE A 107 6.324 1.446 -6.308 1.00 11.52 C ATOM 0 H PHE A 107 9.146 -4.431 -8.085 1.00 55.32 H new ATOM 0 HA PHE A 107 6.989 -3.486 -6.555 1.00 65.35 H new ATOM 0 HB2 PHE A 107 9.175 -2.328 -6.868 1.00 12.42 H new ATOM 0 HB3 PHE A 107 8.755 -1.994 -8.536 1.00 12.42 H new ATOM 0 HD1 PHE A 107 7.726 -1.331 -5.023 1.00 65.13 H new ATOM 0 HD2 PHE A 107 7.384 -0.117 -9.096 1.00 73.13 H new ATOM 0 HE1 PHE A 107 6.566 0.712 -4.317 1.00 63.35 H new ATOM 0 HE2 PHE A 107 6.226 1.930 -8.388 1.00 0.25 H new ATOM 0 HZ PHE A 107 5.813 2.345 -5.996 1.00 11.52 H new ATOM 1686 N ASN A 108 6.407 -3.643 -9.761 1.00 61.43 N ATOM 1687 CA ASN A 108 5.349 -3.549 -10.773 1.00 42.53 C ATOM 1688 C ASN A 108 4.040 -4.207 -10.291 1.00 10.20 C ATOM 1689 O ASN A 108 2.950 -3.685 -10.536 1.00 53.21 O ATOM 1690 CB ASN A 108 5.815 -4.176 -12.093 1.00 44.42 C ATOM 1691 CG ASN A 108 6.362 -5.580 -11.916 1.00 53.32 C ATOM 1692 OD1 ASN A 108 5.629 -6.560 -11.958 1.00 44.03 O ATOM 1693 ND2 ASN A 108 7.661 -5.690 -11.726 1.00 50.12 N ATOM 0 H ASN A 108 7.249 -4.124 -10.077 1.00 61.43 H new ATOM 0 HA ASN A 108 5.142 -2.492 -10.940 1.00 42.53 H new ATOM 0 HB2 ASN A 108 4.979 -4.202 -12.793 1.00 44.42 H new ATOM 0 HB3 ASN A 108 6.584 -3.545 -12.538 1.00 44.42 H new ATOM 0 HD21 ASN A 108 8.083 -6.611 -11.609 1.00 50.12 H new ATOM 0 HD22 ASN A 108 8.245 -4.854 -11.696 1.00 50.12 H new ATOM 1700 N LYS A 109 4.154 -5.344 -9.592 1.00 21.03 N ATOM 1701 CA LYS A 109 2.982 -6.005 -8.996 1.00 22.01 C ATOM 1702 C LYS A 109 2.284 -5.065 -8.004 1.00 52.42 C ATOM 1703 O LYS A 109 1.070 -4.849 -8.073 1.00 4.23 O ATOM 1704 CB LYS A 109 3.397 -7.301 -8.274 1.00 2.43 C ATOM 1705 CG LYS A 109 3.947 -8.389 -9.193 1.00 50.34 C ATOM 1706 CD LYS A 109 4.437 -9.604 -8.401 1.00 14.14 C ATOM 1707 CE LYS A 109 3.317 -10.271 -7.609 1.00 14.31 C ATOM 1708 NZ LYS A 109 3.820 -11.379 -6.753 1.00 54.20 N ATOM 0 H LYS A 109 5.039 -5.824 -9.425 1.00 21.03 H new ATOM 0 HA LYS A 109 2.290 -6.255 -9.800 1.00 22.01 H new ATOM 0 HB2 LYS A 109 4.152 -7.059 -7.526 1.00 2.43 H new ATOM 0 HB3 LYS A 109 2.533 -7.697 -7.740 1.00 2.43 H new ATOM 0 HG2 LYS A 109 3.172 -8.700 -9.894 1.00 50.34 H new ATOM 0 HG3 LYS A 109 4.768 -7.985 -9.785 1.00 50.34 H new ATOM 0 HD2 LYS A 109 4.875 -10.329 -9.087 1.00 14.14 H new ATOM 0 HD3 LYS A 109 5.227 -9.294 -7.717 1.00 14.14 H new ATOM 0 HE2 LYS A 109 2.822 -9.527 -6.985 1.00 14.31 H new ATOM 0 HE3 LYS A 109 2.567 -10.658 -8.299 1.00 14.31 H new ATOM 0 HZ1 LYS A 109 3.018 -11.848 -6.285 1.00 54.20 H new ATOM 0 HZ2 LYS A 109 4.329 -12.069 -7.342 1.00 54.20 H new ATOM 0 HZ3 LYS A 109 4.465 -10.996 -6.033 1.00 54.20 H new ATOM 1722 N VAL A 110 3.074 -4.503 -7.093 1.00 42.44 N ATOM 1723 CA VAL A 110 2.571 -3.563 -6.087 1.00 35.24 C ATOM 1724 C VAL A 110 1.895 -2.346 -6.740 1.00 54.41 C ATOM 1725 O VAL A 110 0.729 -2.050 -6.478 1.00 55.01 O ATOM 1726 CB VAL A 110 3.719 -3.066 -5.171 1.00 73.04 C ATOM 1727 CG1 VAL A 110 3.178 -2.195 -4.036 1.00 21.41 C ATOM 1728 CG2 VAL A 110 4.526 -4.245 -4.628 1.00 43.14 C ATOM 0 H VAL A 110 4.076 -4.683 -7.029 1.00 42.44 H new ATOM 0 HA VAL A 110 1.834 -4.102 -5.492 1.00 35.24 H new ATOM 0 HB VAL A 110 4.388 -2.448 -5.770 1.00 73.04 H new ATOM 0 HG11 VAL A 110 4.004 -1.860 -3.409 1.00 21.41 H new ATOM 0 HG12 VAL A 110 2.666 -1.329 -4.455 1.00 21.41 H new ATOM 0 HG13 VAL A 110 2.478 -2.775 -3.434 1.00 21.41 H new ATOM 0 HG21 VAL A 110 5.326 -3.874 -3.988 1.00 43.14 H new ATOM 0 HG22 VAL A 110 3.872 -4.898 -4.050 1.00 43.14 H new ATOM 0 HG23 VAL A 110 4.956 -4.805 -5.459 1.00 43.14 H new ATOM 1738 N LEU A 111 2.639 -1.660 -7.605 1.00 1.31 N ATOM 1739 CA LEU A 111 2.159 -0.440 -8.259 1.00 21.15 C ATOM 1740 C LEU A 111 0.868 -0.687 -9.058 1.00 33.13 C ATOM 1741 O LEU A 111 -0.079 0.090 -8.966 1.00 74.11 O ATOM 1742 CB LEU A 111 3.253 0.133 -9.177 1.00 12.41 C ATOM 1743 CG LEU A 111 2.948 1.514 -9.793 1.00 53.24 C ATOM 1744 CD1 LEU A 111 2.728 2.558 -8.702 1.00 74.31 C ATOM 1745 CD2 LEU A 111 4.073 1.947 -10.732 1.00 3.34 C ATOM 0 H LEU A 111 3.586 -1.930 -7.872 1.00 1.31 H new ATOM 0 HA LEU A 111 1.927 0.284 -7.478 1.00 21.15 H new ATOM 0 HB2 LEU A 111 4.179 0.205 -8.607 1.00 12.41 H new ATOM 0 HB3 LEU A 111 3.431 -0.575 -9.986 1.00 12.41 H new ATOM 0 HG LEU A 111 2.030 1.430 -10.374 1.00 53.24 H new ATOM 0 HD11 LEU A 111 2.515 3.524 -9.160 1.00 74.31 H new ATOM 0 HD12 LEU A 111 1.887 2.259 -8.077 1.00 74.31 H new ATOM 0 HD13 LEU A 111 3.625 2.638 -8.089 1.00 74.31 H new ATOM 0 HD21 LEU A 111 3.838 2.923 -11.156 1.00 3.34 H new ATOM 0 HD22 LEU A 111 5.008 2.009 -10.175 1.00 3.34 H new ATOM 0 HD23 LEU A 111 4.177 1.218 -11.536 1.00 3.34 H new ATOM 1757 N SER A 112 0.827 -1.775 -9.834 1.00 54.01 N ATOM 1758 CA SER A 112 -0.371 -2.109 -10.630 1.00 12.55 C ATOM 1759 C SER A 112 -1.590 -2.347 -9.728 1.00 73.33 C ATOM 1760 O SER A 112 -2.712 -1.940 -10.051 1.00 3.15 O ATOM 1761 CB SER A 112 -0.132 -3.351 -11.499 1.00 12.41 C ATOM 1762 OG SER A 112 -1.261 -3.625 -12.321 1.00 71.45 O ATOM 0 H SER A 112 1.597 -2.436 -9.931 1.00 54.01 H new ATOM 0 HA SER A 112 -0.571 -1.256 -11.278 1.00 12.55 H new ATOM 0 HB2 SER A 112 0.748 -3.198 -12.124 1.00 12.41 H new ATOM 0 HB3 SER A 112 0.075 -4.211 -10.862 1.00 12.41 H new ATOM 0 HG SER A 112 -1.629 -4.503 -12.089 1.00 71.45 H new ATOM 1768 N SER A 113 -1.366 -3.007 -8.594 1.00 73.42 N ATOM 1769 CA SER A 113 -2.432 -3.232 -7.611 1.00 53.41 C ATOM 1770 C SER A 113 -2.920 -1.902 -7.017 1.00 53.11 C ATOM 1771 O SER A 113 -4.123 -1.678 -6.879 1.00 52.44 O ATOM 1772 CB SER A 113 -1.945 -4.159 -6.487 1.00 52.51 C ATOM 1773 OG SER A 113 -2.991 -4.459 -5.575 1.00 13.31 O ATOM 0 H SER A 113 -0.461 -3.396 -8.330 1.00 73.42 H new ATOM 0 HA SER A 113 -3.266 -3.709 -8.126 1.00 53.41 H new ATOM 0 HB2 SER A 113 -1.559 -5.083 -6.917 1.00 52.51 H new ATOM 0 HB3 SER A 113 -1.120 -3.686 -5.954 1.00 52.51 H new ATOM 0 HG SER A 113 -3.588 -5.128 -5.971 1.00 13.31 H new ATOM 1779 N LEU A 114 -1.976 -1.015 -6.691 1.00 21.51 N ATOM 1780 CA LEU A 114 -2.298 0.314 -6.149 1.00 21.34 C ATOM 1781 C LEU A 114 -3.083 1.165 -7.162 1.00 53.21 C ATOM 1782 O LEU A 114 -4.094 1.782 -6.819 1.00 11.14 O ATOM 1783 CB LEU A 114 -1.013 1.050 -5.738 1.00 24.34 C ATOM 1784 CG LEU A 114 -0.196 0.380 -4.621 1.00 61.12 C ATOM 1785 CD1 LEU A 114 1.084 1.166 -4.338 1.00 22.05 C ATOM 1786 CD2 LEU A 114 -1.032 0.234 -3.349 1.00 61.30 C ATOM 0 H LEU A 114 -0.977 -1.192 -6.793 1.00 21.51 H new ATOM 0 HA LEU A 114 -2.927 0.165 -5.272 1.00 21.34 H new ATOM 0 HB2 LEU A 114 -0.377 1.154 -6.617 1.00 24.34 H new ATOM 0 HB3 LEU A 114 -1.279 2.057 -5.416 1.00 24.34 H new ATOM 0 HG LEU A 114 0.085 -0.617 -4.960 1.00 61.12 H new ATOM 0 HD11 LEU A 114 1.646 0.673 -3.544 1.00 22.05 H new ATOM 0 HD12 LEU A 114 1.693 1.208 -5.241 1.00 22.05 H new ATOM 0 HD13 LEU A 114 0.828 2.179 -4.026 1.00 22.05 H new ATOM 0 HD21 LEU A 114 -0.433 -0.242 -2.573 1.00 61.30 H new ATOM 0 HD22 LEU A 114 -1.351 1.219 -3.008 1.00 61.30 H new ATOM 0 HD23 LEU A 114 -1.909 -0.379 -3.558 1.00 61.30 H new ATOM 1798 N VAL A 115 -2.613 1.195 -8.410 1.00 25.13 N ATOM 1799 CA VAL A 115 -3.298 1.937 -9.477 1.00 20.32 C ATOM 1800 C VAL A 115 -4.736 1.430 -9.669 1.00 50.44 C ATOM 1801 O VAL A 115 -5.678 2.219 -9.745 1.00 13.45 O ATOM 1802 CB VAL A 115 -2.527 1.846 -10.822 1.00 22.02 C ATOM 1803 CG1 VAL A 115 -3.289 2.551 -11.943 1.00 71.15 C ATOM 1804 CG2 VAL A 115 -1.124 2.435 -10.678 1.00 24.54 C ATOM 0 H VAL A 115 -1.763 0.716 -8.709 1.00 25.13 H new ATOM 0 HA VAL A 115 -3.330 2.982 -9.168 1.00 20.32 H new ATOM 0 HB VAL A 115 -2.437 0.792 -11.086 1.00 22.02 H new ATOM 0 HG11 VAL A 115 -2.725 2.471 -12.872 1.00 71.15 H new ATOM 0 HG12 VAL A 115 -4.265 2.083 -12.069 1.00 71.15 H new ATOM 0 HG13 VAL A 115 -3.421 3.603 -11.688 1.00 71.15 H new ATOM 0 HG21 VAL A 115 -0.599 2.362 -11.631 1.00 24.54 H new ATOM 0 HG22 VAL A 115 -1.197 3.482 -10.383 1.00 24.54 H new ATOM 0 HG23 VAL A 115 -0.573 1.882 -9.917 1.00 24.54 H new ATOM 1814 N THR A 116 -4.899 0.109 -9.733 1.00 13.14 N ATOM 1815 CA THR A 116 -6.235 -0.504 -9.803 1.00 22.33 C ATOM 1816 C THR A 116 -7.074 -0.119 -8.579 1.00 4.34 C ATOM 1817 O THR A 116 -8.240 0.249 -8.704 1.00 74.10 O ATOM 1818 CB THR A 116 -6.157 -2.049 -9.877 1.00 52.20 C ATOM 1819 OG1 THR A 116 -5.370 -2.454 -11.009 1.00 54.31 O ATOM 1820 CG2 THR A 116 -7.552 -2.670 -9.974 1.00 42.12 C ATOM 0 H THR A 116 -4.129 -0.560 -9.738 1.00 13.14 H new ATOM 0 HA THR A 116 -6.703 -0.128 -10.713 1.00 22.33 H new ATOM 0 HB THR A 116 -5.684 -2.402 -8.961 1.00 52.20 H new ATOM 0 HG1 THR A 116 -4.419 -2.325 -10.810 1.00 54.31 H new ATOM 0 HG21 THR A 116 -7.464 -3.755 -10.024 1.00 42.12 H new ATOM 0 HG22 THR A 116 -8.135 -2.393 -9.096 1.00 42.12 H new ATOM 0 HG23 THR A 116 -8.052 -2.304 -10.871 1.00 42.12 H new ATOM 1828 N LEU A 117 -6.458 -0.204 -7.401 1.00 1.51 N ATOM 1829 CA LEU A 117 -7.107 0.166 -6.135 1.00 31.42 C ATOM 1830 C LEU A 117 -7.680 1.594 -6.197 1.00 10.34 C ATOM 1831 O LEU A 117 -8.792 1.854 -5.735 1.00 12.13 O ATOM 1832 CB LEU A 117 -6.087 0.055 -4.991 1.00 31.14 C ATOM 1833 CG LEU A 117 -6.622 0.347 -3.580 1.00 4.44 C ATOM 1834 CD1 LEU A 117 -7.656 -0.691 -3.163 1.00 54.33 C ATOM 1835 CD2 LEU A 117 -5.475 0.403 -2.573 1.00 3.30 C ATOM 0 H LEU A 117 -5.498 -0.530 -7.293 1.00 1.51 H new ATOM 0 HA LEU A 117 -7.937 -0.517 -5.957 1.00 31.42 H new ATOM 0 HB2 LEU A 117 -5.670 -0.952 -4.999 1.00 31.14 H new ATOM 0 HB3 LEU A 117 -5.265 0.741 -5.196 1.00 31.14 H new ATOM 0 HG LEU A 117 -7.112 1.320 -3.598 1.00 4.44 H new ATOM 0 HD11 LEU A 117 -8.018 -0.461 -2.161 1.00 54.33 H new ATOM 0 HD12 LEU A 117 -8.491 -0.675 -3.864 1.00 54.33 H new ATOM 0 HD13 LEU A 117 -7.199 -1.681 -3.166 1.00 54.33 H new ATOM 0 HD21 LEU A 117 -5.873 0.611 -1.580 1.00 3.30 H new ATOM 0 HD22 LEU A 117 -4.953 -0.554 -2.562 1.00 3.30 H new ATOM 0 HD23 LEU A 117 -4.779 1.192 -2.858 1.00 3.30 H new ATOM 1847 N ASN A 118 -6.906 2.512 -6.769 1.00 74.34 N ATOM 1848 CA ASN A 118 -7.355 3.894 -6.964 1.00 21.35 C ATOM 1849 C ASN A 118 -8.491 3.979 -8.000 1.00 23.45 C ATOM 1850 O ASN A 118 -9.521 4.602 -7.754 1.00 40.14 O ATOM 1851 CB ASN A 118 -6.171 4.768 -7.402 1.00 12.41 C ATOM 1852 CG ASN A 118 -6.588 6.187 -7.743 1.00 63.35 C ATOM 1853 OD1 ASN A 118 -6.886 6.502 -8.889 1.00 50.51 O ATOM 1854 ND2 ASN A 118 -6.614 7.057 -6.756 1.00 11.21 N ATOM 0 H ASN A 118 -5.962 2.327 -7.108 1.00 74.34 H new ATOM 0 HA ASN A 118 -7.746 4.260 -6.015 1.00 21.35 H new ATOM 0 HB2 ASN A 118 -5.428 4.793 -6.605 1.00 12.41 H new ATOM 0 HB3 ASN A 118 -5.692 4.316 -8.270 1.00 12.41 H new ATOM 0 HD21 ASN A 118 -6.888 8.023 -6.935 1.00 11.21 H new ATOM 0 HD22 ASN A 118 -6.361 6.765 -5.812 1.00 11.21 H new ATOM 1861 N LYS A 119 -8.299 3.339 -9.150 1.00 74.34 N ATOM 1862 CA LYS A 119 -9.268 3.398 -10.255 1.00 35.33 C ATOM 1863 C LYS A 119 -10.651 2.836 -9.866 1.00 12.04 C ATOM 1864 O LYS A 119 -11.682 3.432 -10.187 1.00 72.21 O ATOM 1865 CB LYS A 119 -8.711 2.643 -11.469 1.00 75.43 C ATOM 1866 CG LYS A 119 -7.483 3.307 -12.093 1.00 41.21 C ATOM 1867 CD LYS A 119 -6.817 2.421 -13.147 1.00 15.03 C ATOM 1868 CE LYS A 119 -7.778 2.021 -14.261 1.00 54.44 C ATOM 1869 NZ LYS A 119 -8.322 3.198 -14.985 1.00 62.20 N ATOM 0 H LYS A 119 -7.477 2.768 -9.348 1.00 74.34 H new ATOM 0 HA LYS A 119 -9.415 4.449 -10.504 1.00 35.33 H new ATOM 0 HB2 LYS A 119 -8.451 1.628 -11.167 1.00 75.43 H new ATOM 0 HB3 LYS A 119 -9.492 2.560 -12.225 1.00 75.43 H new ATOM 0 HG2 LYS A 119 -7.776 4.253 -12.549 1.00 41.21 H new ATOM 0 HG3 LYS A 119 -6.762 3.541 -11.310 1.00 41.21 H new ATOM 0 HD2 LYS A 119 -5.966 2.950 -13.577 1.00 15.03 H new ATOM 0 HD3 LYS A 119 -6.426 1.523 -12.668 1.00 15.03 H new ATOM 0 HE2 LYS A 119 -7.262 1.370 -14.967 1.00 54.44 H new ATOM 0 HE3 LYS A 119 -8.601 1.445 -13.838 1.00 54.44 H new ATOM 0 HZ1 LYS A 119 -8.903 2.875 -15.785 1.00 62.20 H new ATOM 0 HZ2 LYS A 119 -8.908 3.763 -14.338 1.00 62.20 H new ATOM 0 HZ3 LYS A 119 -7.537 3.781 -15.340 1.00 62.20 H new ATOM 1883 N VAL A 120 -10.673 1.695 -9.174 1.00 2.02 N ATOM 1884 CA VAL A 120 -11.938 1.057 -8.781 1.00 10.43 C ATOM 1885 C VAL A 120 -12.697 1.879 -7.721 1.00 14.12 C ATOM 1886 O VAL A 120 -13.920 2.008 -7.783 1.00 22.41 O ATOM 1887 CB VAL A 120 -11.718 -0.391 -8.262 1.00 63.32 C ATOM 1888 CG1 VAL A 120 -11.133 -1.277 -9.361 1.00 61.00 C ATOM 1889 CG2 VAL A 120 -10.826 -0.407 -7.021 1.00 45.21 C ATOM 0 H VAL A 120 -9.837 1.194 -8.874 1.00 2.02 H new ATOM 0 HA VAL A 120 -12.548 1.015 -9.684 1.00 10.43 H new ATOM 0 HB VAL A 120 -12.690 -0.794 -7.978 1.00 63.32 H new ATOM 0 HG11 VAL A 120 -10.987 -2.286 -8.976 1.00 61.00 H new ATOM 0 HG12 VAL A 120 -11.819 -1.307 -10.208 1.00 61.00 H new ATOM 0 HG13 VAL A 120 -10.175 -0.870 -9.685 1.00 61.00 H new ATOM 0 HG21 VAL A 120 -10.692 -1.434 -6.683 1.00 45.21 H new ATOM 0 HG22 VAL A 120 -9.855 0.025 -7.265 1.00 45.21 H new ATOM 0 HG23 VAL A 120 -11.294 0.177 -6.229 1.00 45.21 H new ATOM 1899 N THR A 121 -11.968 2.450 -6.762 1.00 41.44 N ATOM 1900 CA THR A 121 -12.588 3.262 -5.704 1.00 12.03 C ATOM 1901 C THR A 121 -12.989 4.650 -6.225 1.00 64.20 C ATOM 1902 O THR A 121 -14.024 5.195 -5.841 1.00 75.52 O ATOM 1903 CB THR A 121 -11.654 3.420 -4.482 1.00 70.22 C ATOM 1904 OG1 THR A 121 -10.415 4.028 -4.882 1.00 75.45 O ATOM 1905 CG2 THR A 121 -11.380 2.069 -3.819 1.00 5.23 C ATOM 0 H THR A 121 -10.954 2.369 -6.692 1.00 41.44 H new ATOM 0 HA THR A 121 -13.485 2.729 -5.389 1.00 12.03 H new ATOM 0 HB THR A 121 -12.153 4.062 -3.756 1.00 70.22 H new ATOM 0 HG1 THR A 121 -9.795 3.335 -5.191 1.00 75.45 H new ATOM 0 HG21 THR A 121 -10.721 2.211 -2.963 1.00 5.23 H new ATOM 0 HG22 THR A 121 -12.320 1.631 -3.484 1.00 5.23 H new ATOM 0 HG23 THR A 121 -10.904 1.401 -4.537 1.00 5.23 H new ATOM 1913 N ALA A 122 -12.169 5.214 -7.109 1.00 25.24 N ATOM 1914 CA ALA A 122 -12.499 6.477 -7.780 1.00 3.54 C ATOM 1915 C ALA A 122 -13.787 6.340 -8.606 1.00 22.44 C ATOM 1916 O ALA A 122 -14.557 7.294 -8.747 1.00 44.14 O ATOM 1917 CB ALA A 122 -11.346 6.929 -8.670 1.00 33.02 C ATOM 0 H ALA A 122 -11.269 4.818 -7.380 1.00 25.24 H new ATOM 0 HA ALA A 122 -12.664 7.233 -7.012 1.00 3.54 H new ATOM 0 HB1 ALA A 122 -11.610 7.867 -9.159 1.00 33.02 H new ATOM 0 HB2 ALA A 122 -10.453 7.075 -8.062 1.00 33.02 H new ATOM 0 HB3 ALA A 122 -11.150 6.169 -9.426 1.00 33.02 H new ATOM 1923 N ASP A 123 -14.011 5.143 -9.151 1.00 34.53 N ATOM 1924 CA ASP A 123 -15.245 4.833 -9.880 1.00 22.41 C ATOM 1925 C ASP A 123 -16.456 4.831 -8.927 1.00 0.44 C ATOM 1926 O ASP A 123 -17.585 5.115 -9.331 1.00 55.10 O ATOM 1927 CB ASP A 123 -15.109 3.476 -10.581 1.00 31.43 C ATOM 1928 CG ASP A 123 -16.330 3.118 -11.413 1.00 53.41 C ATOM 1929 OD1 ASP A 123 -16.597 3.819 -12.413 1.00 40.53 O ATOM 1930 OD2 ASP A 123 -17.032 2.146 -11.069 1.00 71.14 O ATOM 0 H ASP A 123 -13.350 4.367 -9.101 1.00 34.53 H new ATOM 0 HA ASP A 123 -15.410 5.604 -10.632 1.00 22.41 H new ATOM 0 HB2 ASP A 123 -14.229 3.491 -11.224 1.00 31.43 H new ATOM 0 HB3 ASP A 123 -14.945 2.701 -9.833 1.00 31.43 H new