USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=27 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 30:sc= 0.0345 USER MOD Single : A 16 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.2) USER MOD Single : A 17 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 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+ -171:sc= -0.0436 (180deg=-0.179) 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 :FLIP amide:sc= -0.45 F(o=-1.1,f=-0.45) USER MOD Single : A 44 SER OG : rot -92:sc= 0.447 USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -0.839! (180deg=-3.78!) USER MOD Single : A 52 CYS SG : rot 63:sc= -1.31 USER MOD Single : A 62 THR OG1 : rot 89:sc= 0.838 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -108:sc= -3.29! USER MOD Single : A 78 SER OG : rot 160:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.756 K(o=0.76,f=-7!) USER MOD Single : A 87 CYS SG : rot 156:sc= -3.58! USER MOD Single : A 90 SER OG : rot 140:sc= -0.323 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.298 K(o=-0.3,f=-4.9!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.068) USER MOD Single : A 105 GLN : amide:sc= -1.11 K(o=-1.1,f=-6!) USER MOD Single : A 106 ASN : amide:sc= 0.715 K(o=0.71,f=0) USER MOD Single : A 108 ASN : amide:sc= -0.967 K(o=-0.97,f=-11!) USER MOD Single : A 109 LYS NZ :NH3+ 166:sc= 1.95 (180deg=0.976) USER MOD Single : A 112 SER OG : rot -14:sc= 0.17 USER MOD Single : A 113 SER OG : rot 75:sc= 1.05 USER MOD Single : A 116 THR OG1 : rot 73:sc= 0.909 USER MOD Single : A 118 ASN : amide:sc= 0.553 K(o=0.55,f=-0.0091) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -83:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 3.029 6.326 -13.190 1.00 51.14 N ATOM 196 CA SER A 13 2.019 5.769 -12.275 1.00 43.25 C ATOM 197 C SER A 13 2.454 5.859 -10.804 1.00 72.12 C ATOM 198 O SER A 13 1.623 5.821 -9.899 1.00 64.25 O ATOM 199 CB SER A 13 1.719 4.306 -12.636 1.00 24.23 C ATOM 200 OG SER A 13 1.187 4.197 -13.949 1.00 24.22 O ATOM 0 HA SER A 13 1.117 6.370 -12.393 1.00 43.25 H new ATOM 0 HB2 SER A 13 2.633 3.716 -12.561 1.00 24.23 H new ATOM 0 HB3 SER A 13 1.011 3.890 -11.919 1.00 24.23 H new ATOM 0 HG SER A 13 1.547 4.916 -14.509 1.00 24.22 H new ATOM 206 N ALA A 14 3.756 5.972 -10.568 1.00 23.32 N ATOM 207 CA ALA A 14 4.280 6.124 -9.207 1.00 74.52 C ATOM 208 C ALA A 14 4.095 7.556 -8.677 1.00 12.31 C ATOM 209 O ALA A 14 3.758 7.754 -7.510 1.00 40.22 O ATOM 210 CB ALA A 14 5.749 5.735 -9.168 1.00 23.55 C ATOM 0 H ALA A 14 4.470 5.962 -11.296 1.00 23.32 H new ATOM 0 HA ALA A 14 3.711 5.459 -8.557 1.00 74.52 H new ATOM 0 HB1 ALA A 14 6.129 5.851 -8.153 1.00 23.55 H new ATOM 0 HB2 ALA A 14 5.859 4.696 -9.480 1.00 23.55 H new ATOM 0 HB3 ALA A 14 6.314 6.378 -9.843 1.00 23.55 H new ATOM 216 N GLU A 15 4.300 8.548 -9.546 1.00 22.11 N ATOM 217 CA GLU A 15 4.214 9.962 -9.154 1.00 15.05 C ATOM 218 C GLU A 15 2.812 10.317 -8.635 1.00 53.04 C ATOM 219 O GLU A 15 2.666 11.013 -7.626 1.00 70.42 O ATOM 220 CB GLU A 15 4.584 10.872 -10.337 1.00 41.21 C ATOM 221 CG GLU A 15 5.967 10.587 -10.923 1.00 62.21 C ATOM 222 CD GLU A 15 6.362 11.564 -12.024 1.00 24.22 C ATOM 223 OE1 GLU A 15 5.811 11.466 -13.142 1.00 74.14 O ATOM 224 OE2 GLU A 15 7.238 12.417 -11.782 1.00 43.30 O ATOM 0 H GLU A 15 4.528 8.401 -10.529 1.00 22.11 H new ATOM 0 HA GLU A 15 4.925 10.123 -8.344 1.00 15.05 H new ATOM 0 HB2 GLU A 15 3.836 10.756 -11.121 1.00 41.21 H new ATOM 0 HB3 GLU A 15 4.545 11.911 -10.011 1.00 41.21 H new ATOM 0 HG2 GLU A 15 6.709 10.628 -10.125 1.00 62.21 H new ATOM 0 HG3 GLU A 15 5.984 9.573 -11.322 1.00 62.21 H new ATOM 231 N GLN A 16 1.782 9.833 -9.329 1.00 41.11 N ATOM 232 CA GLN A 16 0.397 10.030 -8.887 1.00 2.21 C ATOM 233 C GLN A 16 0.125 9.295 -7.561 1.00 44.14 C ATOM 234 O GLN A 16 -0.531 9.830 -6.670 1.00 3.24 O ATOM 235 CB GLN A 16 -0.591 9.545 -9.962 1.00 73.12 C ATOM 236 CG GLN A 16 -0.442 8.066 -10.314 1.00 12.24 C ATOM 237 CD GLN A 16 -1.562 7.536 -11.192 1.00 24.41 C ATOM 238 OE1 GLN A 16 -2.145 8.259 -11.995 1.00 44.20 O ATOM 239 NE2 GLN A 16 -1.875 6.264 -11.044 1.00 73.33 N ATOM 0 H GLN A 16 1.877 9.304 -10.196 1.00 41.11 H new ATOM 0 HA GLN A 16 0.253 11.098 -8.727 1.00 2.21 H new ATOM 0 HB2 GLN A 16 -1.608 9.726 -9.615 1.00 73.12 H new ATOM 0 HB3 GLN A 16 -0.452 10.140 -10.865 1.00 73.12 H new ATOM 0 HG2 GLN A 16 0.510 7.916 -10.823 1.00 12.24 H new ATOM 0 HG3 GLN A 16 -0.406 7.483 -9.393 1.00 12.24 H new ATOM 0 HE21 GLN A 16 -1.371 5.690 -10.368 1.00 73.33 H new ATOM 0 HE22 GLN A 16 -2.621 5.854 -11.606 1.00 73.33 H new ATOM 248 N THR A 17 0.656 8.075 -7.436 1.00 42.15 N ATOM 249 CA THR A 17 0.433 7.244 -6.243 1.00 21.23 C ATOM 250 C THR A 17 1.011 7.895 -4.978 1.00 23.44 C ATOM 251 O THR A 17 0.381 7.874 -3.924 1.00 54.45 O ATOM 252 CB THR A 17 1.037 5.827 -6.410 1.00 51.55 C ATOM 253 OG1 THR A 17 0.471 5.188 -7.563 1.00 3.15 O ATOM 254 CG2 THR A 17 0.781 4.961 -5.179 1.00 41.24 C ATOM 0 H THR A 17 1.244 7.638 -8.146 1.00 42.15 H new ATOM 0 HA THR A 17 -0.648 7.156 -6.131 1.00 21.23 H new ATOM 0 HB THR A 17 2.114 5.938 -6.535 1.00 51.55 H new ATOM 0 HG1 THR A 17 0.764 5.655 -8.373 1.00 3.15 H new ATOM 0 HG21 THR A 17 1.218 3.974 -5.331 1.00 41.24 H new ATOM 0 HG22 THR A 17 1.234 5.428 -4.305 1.00 41.24 H new ATOM 0 HG23 THR A 17 -0.293 4.861 -5.021 1.00 41.24 H new ATOM 262 N VAL A 18 2.207 8.479 -5.086 1.00 54.12 N ATOM 263 CA VAL A 18 2.805 9.207 -3.959 1.00 64.31 C ATOM 264 C VAL A 18 1.843 10.293 -3.447 1.00 33.02 C ATOM 265 O VAL A 18 1.465 10.304 -2.274 1.00 54.10 O ATOM 266 CB VAL A 18 4.155 9.868 -4.346 1.00 15.11 C ATOM 267 CG1 VAL A 18 4.750 10.626 -3.158 1.00 52.44 C ATOM 268 CG2 VAL A 18 5.144 8.829 -4.875 1.00 65.21 C ATOM 0 H VAL A 18 2.777 8.464 -5.932 1.00 54.12 H new ATOM 0 HA VAL A 18 2.992 8.476 -3.173 1.00 64.31 H new ATOM 0 HB VAL A 18 3.960 10.584 -5.144 1.00 15.11 H new ATOM 0 HG11 VAL A 18 5.696 11.081 -3.453 1.00 52.44 H new ATOM 0 HG12 VAL A 18 4.057 11.405 -2.839 1.00 52.44 H new ATOM 0 HG13 VAL A 18 4.922 9.934 -2.334 1.00 52.44 H new ATOM 0 HG21 VAL A 18 6.081 9.320 -5.138 1.00 65.21 H new ATOM 0 HG22 VAL A 18 5.331 8.080 -4.106 1.00 65.21 H new ATOM 0 HG23 VAL A 18 4.726 8.346 -5.758 1.00 65.21 H new ATOM 278 N THR A 19 1.432 11.183 -4.350 1.00 25.43 N ATOM 279 CA THR A 19 0.481 12.257 -4.021 1.00 15.11 C ATOM 280 C THR A 19 -0.859 11.685 -3.519 1.00 61.34 C ATOM 281 O THR A 19 -1.487 12.238 -2.616 1.00 1.24 O ATOM 282 CB THR A 19 0.213 13.163 -5.252 1.00 74.32 C ATOM 283 OG1 THR A 19 1.457 13.625 -5.805 1.00 34.20 O ATOM 284 CG2 THR A 19 -0.654 14.364 -4.881 1.00 75.33 C ATOM 0 H THR A 19 1.742 11.185 -5.322 1.00 25.43 H new ATOM 0 HA THR A 19 0.936 12.850 -3.228 1.00 15.11 H new ATOM 0 HB THR A 19 -0.321 12.568 -5.992 1.00 74.32 H new ATOM 0 HG1 THR A 19 1.278 14.194 -6.582 1.00 34.20 H new ATOM 0 HG21 THR A 19 -0.823 14.978 -5.766 1.00 75.33 H new ATOM 0 HG22 THR A 19 -1.611 14.016 -4.493 1.00 75.33 H new ATOM 0 HG23 THR A 19 -0.148 14.957 -4.119 1.00 75.33 H new ATOM 292 N TRP A 20 -1.275 10.563 -4.107 1.00 32.34 N ATOM 293 CA TRP A 20 -2.522 9.881 -3.729 1.00 31.25 C ATOM 294 C TRP A 20 -2.478 9.406 -2.263 1.00 51.15 C ATOM 295 O TRP A 20 -3.420 9.617 -1.497 1.00 42.14 O ATOM 296 CB TRP A 20 -2.763 8.695 -4.681 1.00 43.21 C ATOM 297 CG TRP A 20 -4.021 7.920 -4.415 1.00 60.13 C ATOM 298 CD1 TRP A 20 -5.288 8.418 -4.293 1.00 65.23 C ATOM 299 CD2 TRP A 20 -4.133 6.499 -4.266 1.00 11.21 C ATOM 300 NE1 TRP A 20 -6.176 7.394 -4.064 1.00 71.04 N ATOM 301 CE2 TRP A 20 -5.491 6.207 -4.043 1.00 12.32 C ATOM 302 CE3 TRP A 20 -3.214 5.446 -4.295 1.00 41.31 C ATOM 303 CZ2 TRP A 20 -5.953 4.908 -3.849 1.00 60.34 C ATOM 304 CZ3 TRP A 20 -3.674 4.156 -4.105 1.00 71.14 C ATOM 305 CH2 TRP A 20 -5.032 3.897 -3.885 1.00 72.34 C ATOM 0 H TRP A 20 -0.762 10.099 -4.857 1.00 32.34 H new ATOM 0 HA TRP A 20 -3.348 10.586 -3.816 1.00 31.25 H new ATOM 0 HB2 TRP A 20 -2.793 9.069 -5.704 1.00 43.21 H new ATOM 0 HB3 TRP A 20 -1.913 8.015 -4.615 1.00 43.21 H new ATOM 0 HD1 TRP A 20 -5.553 9.463 -4.366 1.00 65.23 H new ATOM 0 HE1 TRP A 20 -7.182 7.500 -3.931 1.00 71.04 H new ATOM 0 HE3 TRP A 20 -2.164 5.637 -4.463 1.00 41.31 H new ATOM 0 HZ2 TRP A 20 -7.000 4.706 -3.676 1.00 60.34 H new ATOM 0 HZ3 TRP A 20 -2.974 3.334 -4.127 1.00 71.14 H new ATOM 0 HH2 TRP A 20 -5.359 2.878 -3.741 1.00 72.34 H new ATOM 316 N LEU A 21 -1.370 8.781 -1.873 1.00 73.51 N ATOM 317 CA LEU A 21 -1.187 8.326 -0.489 1.00 60.23 C ATOM 318 C LEU A 21 -1.115 9.516 0.487 1.00 71.42 C ATOM 319 O LEU A 21 -1.628 9.453 1.609 1.00 75.23 O ATOM 320 CB LEU A 21 0.084 7.470 -0.370 1.00 64.14 C ATOM 321 CG LEU A 21 0.108 6.194 -1.227 1.00 42.13 C ATOM 322 CD1 LEU A 21 1.398 5.412 -0.997 1.00 71.03 C ATOM 323 CD2 LEU A 21 -1.111 5.322 -0.934 1.00 24.33 C ATOM 0 H LEU A 21 -0.585 8.576 -2.491 1.00 73.51 H new ATOM 0 HA LEU A 21 -2.052 7.719 -0.221 1.00 60.23 H new ATOM 0 HB2 LEU A 21 0.942 8.085 -0.642 1.00 64.14 H new ATOM 0 HB3 LEU A 21 0.213 7.187 0.675 1.00 64.14 H new ATOM 0 HG LEU A 21 0.071 6.489 -2.276 1.00 42.13 H new ATOM 0 HD11 LEU A 21 1.393 4.513 -1.613 1.00 71.03 H new ATOM 0 HD12 LEU A 21 2.253 6.033 -1.267 1.00 71.03 H new ATOM 0 HD13 LEU A 21 1.471 5.131 0.054 1.00 71.03 H new ATOM 0 HD21 LEU A 21 -1.073 4.425 -1.552 1.00 24.33 H new ATOM 0 HD22 LEU A 21 -1.111 5.038 0.118 1.00 24.33 H new ATOM 0 HD23 LEU A 21 -2.020 5.880 -1.160 1.00 24.33 H new ATOM 335 N ILE A 22 -0.478 10.601 0.049 1.00 43.21 N ATOM 336 CA ILE A 22 -0.361 11.817 0.864 1.00 73.33 C ATOM 337 C ILE A 22 -1.730 12.494 1.083 1.00 61.22 C ATOM 338 O ILE A 22 -2.073 12.864 2.207 1.00 33.31 O ATOM 339 CB ILE A 22 0.622 12.835 0.224 1.00 31.12 C ATOM 340 CG1 ILE A 22 2.024 12.214 0.100 1.00 50.12 C ATOM 341 CG2 ILE A 22 0.676 14.128 1.042 1.00 52.23 C ATOM 342 CD1 ILE A 22 3.038 13.106 -0.590 1.00 60.05 C ATOM 0 H ILE A 22 -0.033 10.666 -0.867 1.00 43.21 H new ATOM 0 HA ILE A 22 0.031 11.505 1.832 1.00 73.33 H new ATOM 0 HB ILE A 22 0.260 13.082 -0.774 1.00 31.12 H new ATOM 0 HG12 ILE A 22 2.391 11.969 1.097 1.00 50.12 H new ATOM 0 HG13 ILE A 22 1.947 11.276 -0.451 1.00 50.12 H new ATOM 0 HG21 ILE A 22 1.371 14.826 0.574 1.00 52.23 H new ATOM 0 HG22 ILE A 22 -0.317 14.576 1.081 1.00 52.23 H new ATOM 0 HG23 ILE A 22 1.013 13.904 2.054 1.00 52.23 H new ATOM 0 HD11 ILE A 22 4.000 12.595 -0.637 1.00 60.05 H new ATOM 0 HD12 ILE A 22 2.697 13.331 -1.601 1.00 60.05 H new ATOM 0 HD13 ILE A 22 3.147 14.034 -0.029 1.00 60.05 H new ATOM 354 N THR A 23 -2.513 12.641 0.011 1.00 21.55 N ATOM 355 CA THR A 23 -3.829 13.301 0.104 1.00 10.35 C ATOM 356 C THR A 23 -4.827 12.478 0.936 1.00 52.10 C ATOM 357 O THR A 23 -5.768 13.027 1.513 1.00 3.20 O ATOM 358 CB THR A 23 -4.446 13.589 -1.292 1.00 44.04 C ATOM 359 OG1 THR A 23 -5.678 14.314 -1.148 1.00 60.23 O ATOM 360 CG2 THR A 23 -4.710 12.304 -2.067 1.00 62.21 C ATOM 0 H THR A 23 -2.267 12.318 -0.925 1.00 21.55 H new ATOM 0 HA THR A 23 -3.645 14.251 0.606 1.00 10.35 H new ATOM 0 HB THR A 23 -3.725 14.186 -1.850 1.00 44.04 H new ATOM 0 HG1 THR A 23 -6.058 14.492 -2.034 1.00 60.23 H new ATOM 0 HG21 THR A 23 -5.142 12.547 -3.038 1.00 62.21 H new ATOM 0 HG22 THR A 23 -3.773 11.767 -2.211 1.00 62.21 H new ATOM 0 HG23 THR A 23 -5.405 11.678 -1.507 1.00 62.21 H new ATOM 368 N LEU A 24 -4.622 11.161 0.997 1.00 51.30 N ATOM 369 CA LEU A 24 -5.450 10.285 1.844 1.00 32.14 C ATOM 370 C LEU A 24 -4.933 10.247 3.296 1.00 0.52 C ATOM 371 O LEU A 24 -5.459 9.515 4.134 1.00 31.30 O ATOM 372 CB LEU A 24 -5.498 8.864 1.259 1.00 35.20 C ATOM 373 CG LEU A 24 -6.239 8.732 -0.087 1.00 14.54 C ATOM 374 CD1 LEU A 24 -6.164 7.302 -0.611 1.00 45.24 C ATOM 375 CD2 LEU A 24 -7.696 9.178 0.045 1.00 75.32 C ATOM 0 H LEU A 24 -3.894 10.674 0.474 1.00 51.30 H new ATOM 0 HA LEU A 24 -6.459 10.698 1.860 1.00 32.14 H new ATOM 0 HB2 LEU A 24 -4.476 8.507 1.129 1.00 35.20 H new ATOM 0 HB3 LEU A 24 -5.976 8.206 1.985 1.00 35.20 H new ATOM 0 HG LEU A 24 -5.745 9.386 -0.805 1.00 14.54 H new ATOM 0 HD11 LEU A 24 -6.694 7.234 -1.561 1.00 45.24 H new ATOM 0 HD12 LEU A 24 -5.121 7.022 -0.757 1.00 45.24 H new ATOM 0 HD13 LEU A 24 -6.624 6.626 0.110 1.00 45.24 H new ATOM 0 HD21 LEU A 24 -8.197 9.075 -0.918 1.00 75.32 H new ATOM 0 HD22 LEU A 24 -8.201 8.557 0.785 1.00 75.32 H new ATOM 0 HD23 LEU A 24 -7.730 10.220 0.362 1.00 75.32 H new ATOM 387 N GLY A 25 -3.894 11.032 3.576 1.00 22.33 N ATOM 388 CA GLY A 25 -3.372 11.157 4.935 1.00 41.42 C ATOM 389 C GLY A 25 -2.707 9.890 5.475 1.00 44.15 C ATOM 390 O GLY A 25 -2.460 9.781 6.680 1.00 20.41 O ATOM 0 H GLY A 25 -3.398 11.590 2.881 1.00 22.33 H new ATOM 0 HA2 GLY A 25 -2.648 11.972 4.960 1.00 41.42 H new ATOM 0 HA3 GLY A 25 -4.189 11.436 5.601 1.00 41.42 H new ATOM 394 N VAL A 26 -2.409 8.935 4.595 1.00 43.31 N ATOM 395 CA VAL A 26 -1.772 7.675 5.009 1.00 62.31 C ATOM 396 C VAL A 26 -0.241 7.744 4.888 1.00 4.54 C ATOM 397 O VAL A 26 0.480 6.988 5.543 1.00 0.32 O ATOM 398 CB VAL A 26 -2.305 6.471 4.190 1.00 40.35 C ATOM 399 CG1 VAL A 26 -3.821 6.372 4.319 1.00 72.44 C ATOM 400 CG2 VAL A 26 -1.888 6.568 2.720 1.00 52.24 C ATOM 0 H VAL A 26 -2.595 9.004 3.595 1.00 43.31 H new ATOM 0 HA VAL A 26 -2.031 7.528 6.058 1.00 62.31 H new ATOM 0 HB VAL A 26 -1.862 5.562 4.597 1.00 40.35 H new ATOM 0 HG11 VAL A 26 -4.181 5.522 3.739 1.00 72.44 H new ATOM 0 HG12 VAL A 26 -4.089 6.236 5.367 1.00 72.44 H new ATOM 0 HG13 VAL A 26 -4.279 7.287 3.944 1.00 72.44 H new ATOM 0 HG21 VAL A 26 -2.278 5.709 2.174 1.00 52.24 H new ATOM 0 HG22 VAL A 26 -2.289 7.485 2.288 1.00 52.24 H new ATOM 0 HG23 VAL A 26 -0.800 6.579 2.650 1.00 52.24 H new ATOM 410 N LEU A 27 0.243 8.654 4.046 1.00 63.04 N ATOM 411 CA LEU A 27 1.683 8.854 3.848 1.00 32.43 C ATOM 412 C LEU A 27 2.081 10.304 4.164 1.00 21.12 C ATOM 413 O LEU A 27 1.305 11.236 3.936 1.00 72.02 O ATOM 414 CB LEU A 27 2.064 8.493 2.403 1.00 3.31 C ATOM 415 CG LEU A 27 3.566 8.532 2.070 1.00 34.34 C ATOM 416 CD1 LEU A 27 4.344 7.548 2.942 1.00 44.31 C ATOM 417 CD2 LEU A 27 3.793 8.237 0.589 1.00 12.31 C ATOM 0 H LEU A 27 -0.344 9.271 3.484 1.00 63.04 H new ATOM 0 HA LEU A 27 2.225 8.201 4.532 1.00 32.43 H new ATOM 0 HB2 LEU A 27 1.691 7.491 2.190 1.00 3.31 H new ATOM 0 HB3 LEU A 27 1.545 9.176 1.730 1.00 3.31 H new ATOM 0 HG LEU A 27 3.936 9.535 2.282 1.00 34.34 H new ATOM 0 HD11 LEU A 27 5.403 7.595 2.687 1.00 44.31 H new ATOM 0 HD12 LEU A 27 4.211 7.809 3.992 1.00 44.31 H new ATOM 0 HD13 LEU A 27 3.974 6.537 2.770 1.00 44.31 H new ATOM 0 HD21 LEU A 27 4.861 8.269 0.371 1.00 12.31 H new ATOM 0 HD22 LEU A 27 3.403 7.247 0.351 1.00 12.31 H new ATOM 0 HD23 LEU A 27 3.277 8.984 -0.014 1.00 12.31 H new ATOM 429 N GLU A 28 3.285 10.487 4.701 1.00 22.23 N ATOM 430 CA GLU A 28 3.770 11.818 5.094 1.00 13.32 C ATOM 431 C GLU A 28 4.073 12.709 3.876 1.00 23.42 C ATOM 432 O GLU A 28 4.231 12.225 2.754 1.00 43.21 O ATOM 433 CB GLU A 28 5.033 11.688 5.958 1.00 31.22 C ATOM 434 CG GLU A 28 6.233 11.094 5.220 1.00 53.33 C ATOM 435 CD GLU A 28 7.485 11.037 6.082 1.00 13.45 C ATOM 436 OE1 GLU A 28 8.122 12.092 6.287 1.00 4.40 O ATOM 437 OE2 GLU A 28 7.844 9.939 6.557 1.00 31.54 O ATOM 0 H GLU A 28 3.948 9.732 4.876 1.00 22.23 H new ATOM 0 HA GLU A 28 2.974 12.293 5.667 1.00 13.32 H new ATOM 0 HB2 GLU A 28 5.304 12.673 6.337 1.00 31.22 H new ATOM 0 HB3 GLU A 28 4.806 11.065 6.823 1.00 31.22 H new ATOM 0 HG2 GLU A 28 5.984 10.088 4.881 1.00 53.33 H new ATOM 0 HG3 GLU A 28 6.437 11.689 4.330 1.00 53.33 H new ATOM 444 N SER A 29 4.157 14.019 4.107 1.00 24.03 N ATOM 445 CA SER A 29 4.541 14.965 3.052 1.00 21.30 C ATOM 446 C SER A 29 6.064 15.177 3.050 1.00 0.43 C ATOM 447 O SER A 29 6.658 15.473 4.093 1.00 54.01 O ATOM 448 CB SER A 29 3.826 16.309 3.236 1.00 55.22 C ATOM 449 OG SER A 29 4.238 17.256 2.257 1.00 20.51 O ATOM 0 H SER A 29 3.966 14.451 5.011 1.00 24.03 H new ATOM 0 HA SER A 29 4.240 14.542 2.094 1.00 21.30 H new ATOM 0 HB2 SER A 29 2.748 16.161 3.170 1.00 55.22 H new ATOM 0 HB3 SER A 29 4.034 16.700 4.232 1.00 55.22 H new ATOM 0 HG SER A 29 3.764 18.102 2.400 1.00 20.51 H new ATOM 455 N PRO A 30 6.715 15.040 1.879 1.00 1.22 N ATOM 456 CA PRO A 30 8.189 15.101 1.759 1.00 72.11 C ATOM 457 C PRO A 30 8.787 16.498 2.009 1.00 61.21 C ATOM 458 O PRO A 30 8.072 17.473 2.248 1.00 70.33 O ATOM 459 CB PRO A 30 8.427 14.673 0.304 1.00 62.02 C ATOM 460 CG PRO A 30 7.182 15.083 -0.402 1.00 35.31 C ATOM 461 CD PRO A 30 6.070 14.816 0.571 1.00 1.00 C ATOM 0 HA PRO A 30 8.671 14.475 2.510 1.00 72.11 H new ATOM 0 HB2 PRO A 30 9.304 15.163 -0.118 1.00 62.02 H new ATOM 0 HB3 PRO A 30 8.594 13.599 0.226 1.00 62.02 H new ATOM 0 HG2 PRO A 30 7.216 16.136 -0.681 1.00 35.31 H new ATOM 0 HG3 PRO A 30 7.045 14.514 -1.322 1.00 35.31 H new ATOM 0 HD2 PRO A 30 5.227 15.489 0.416 1.00 1.00 H new ATOM 0 HD3 PRO A 30 5.687 13.800 0.478 1.00 1.00 H new ATOM 469 N LYS A 31 10.113 16.581 1.940 1.00 13.12 N ATOM 470 CA LYS A 31 10.831 17.840 2.118 1.00 52.40 C ATOM 471 C LYS A 31 10.861 18.615 0.788 1.00 65.42 C ATOM 472 O LYS A 31 10.587 19.816 0.743 1.00 41.40 O ATOM 473 CB LYS A 31 12.255 17.524 2.627 1.00 24.20 C ATOM 474 CG LYS A 31 13.036 18.714 3.184 1.00 51.21 C ATOM 475 CD LYS A 31 13.523 19.659 2.094 1.00 52.23 C ATOM 476 CE LYS A 31 14.400 20.763 2.658 1.00 24.11 C ATOM 477 NZ LYS A 31 13.718 21.527 3.737 1.00 21.41 N ATOM 0 H LYS A 31 10.718 15.780 1.760 1.00 13.12 H new ATOM 0 HA LYS A 31 10.328 18.470 2.852 1.00 52.40 H new ATOM 0 HB2 LYS A 31 12.183 16.763 3.404 1.00 24.20 H new ATOM 0 HB3 LYS A 31 12.826 17.089 1.807 1.00 24.20 H new ATOM 0 HG2 LYS A 31 12.404 19.264 3.881 1.00 51.21 H new ATOM 0 HG3 LYS A 31 13.892 18.348 3.751 1.00 51.21 H new ATOM 0 HD2 LYS A 31 14.082 19.096 1.347 1.00 52.23 H new ATOM 0 HD3 LYS A 31 12.666 20.100 1.585 1.00 52.23 H new ATOM 0 HE2 LYS A 31 15.321 20.329 3.048 1.00 24.11 H new ATOM 0 HE3 LYS A 31 14.684 21.445 1.856 1.00 24.11 H new ATOM 0 HZ1 LYS A 31 14.288 22.360 3.986 1.00 21.41 H new ATOM 0 HZ2 LYS A 31 12.781 21.835 3.406 1.00 21.41 H new ATOM 0 HZ3 LYS A 31 13.607 20.921 4.575 1.00 21.41 H new ATOM 491 N LYS A 32 11.178 17.900 -0.288 1.00 23.34 N ATOM 492 CA LYS A 32 11.232 18.477 -1.637 1.00 72.43 C ATOM 493 C LYS A 32 10.513 17.573 -2.655 1.00 2.35 C ATOM 494 O LYS A 32 9.876 16.586 -2.282 1.00 51.43 O ATOM 495 CB LYS A 32 12.696 18.669 -2.066 1.00 61.23 C ATOM 496 CG LYS A 32 13.529 17.387 -1.998 1.00 25.41 C ATOM 497 CD LYS A 32 14.878 17.542 -2.697 1.00 73.10 C ATOM 498 CE LYS A 32 14.711 17.766 -4.197 1.00 63.50 C ATOM 499 NZ LYS A 32 16.015 17.968 -4.882 1.00 4.24 N ATOM 0 H LYS A 32 11.405 16.906 -0.255 1.00 23.34 H new ATOM 0 HA LYS A 32 10.726 19.442 -1.613 1.00 72.43 H new ATOM 0 HB2 LYS A 32 12.719 19.054 -3.086 1.00 61.23 H new ATOM 0 HB3 LYS A 32 13.156 19.425 -1.430 1.00 61.23 H new ATOM 0 HG2 LYS A 32 13.691 17.115 -0.955 1.00 25.41 H new ATOM 0 HG3 LYS A 32 12.974 16.570 -2.458 1.00 25.41 H new ATOM 0 HD2 LYS A 32 15.420 18.381 -2.261 1.00 73.10 H new ATOM 0 HD3 LYS A 32 15.481 16.650 -2.527 1.00 73.10 H new ATOM 0 HE2 LYS A 32 14.200 16.909 -4.636 1.00 63.50 H new ATOM 0 HE3 LYS A 32 14.076 18.636 -4.365 1.00 63.50 H new ATOM 0 HZ1 LYS A 32 15.854 18.116 -5.899 1.00 4.24 H new ATOM 0 HZ2 LYS A 32 16.492 18.801 -4.482 1.00 4.24 H new ATOM 0 HZ3 LYS A 32 16.613 17.128 -4.745 1.00 4.24 H new ATOM 513 N THR A 33 10.618 17.919 -3.941 1.00 54.32 N ATOM 514 CA THR A 33 10.059 17.085 -5.016 1.00 4.14 C ATOM 515 C THR A 33 10.682 15.680 -5.010 1.00 53.02 C ATOM 516 O THR A 33 11.907 15.532 -5.056 1.00 73.33 O ATOM 517 CB THR A 33 10.273 17.724 -6.415 1.00 31.01 C ATOM 518 OG1 THR A 33 9.650 19.021 -6.468 1.00 74.54 O ATOM 519 CG2 THR A 33 9.697 16.840 -7.521 1.00 41.22 C ATOM 0 H THR A 33 11.083 18.767 -4.265 1.00 54.32 H new ATOM 0 HA THR A 33 8.989 17.010 -4.823 1.00 4.14 H new ATOM 0 HB THR A 33 11.347 17.825 -6.574 1.00 31.01 H new ATOM 0 HG1 THR A 33 9.792 19.416 -7.353 1.00 74.54 H new ATOM 0 HG21 THR A 33 9.862 17.314 -8.489 1.00 41.22 H new ATOM 0 HG22 THR A 33 10.190 15.868 -7.504 1.00 41.22 H new ATOM 0 HG23 THR A 33 8.627 16.707 -7.360 1.00 41.22 H new ATOM 527 N ILE A 34 9.830 14.658 -4.954 1.00 22.23 N ATOM 528 CA ILE A 34 10.278 13.260 -4.896 1.00 23.22 C ATOM 529 C ILE A 34 11.231 12.910 -6.056 1.00 11.44 C ATOM 530 O ILE A 34 10.835 12.900 -7.222 1.00 15.14 O ATOM 531 CB ILE A 34 9.071 12.285 -4.925 1.00 24.11 C ATOM 532 CG1 ILE A 34 8.096 12.593 -3.777 1.00 2.32 C ATOM 533 CG2 ILE A 34 9.546 10.834 -4.846 1.00 71.11 C ATOM 534 CD1 ILE A 34 8.671 12.345 -2.397 1.00 61.54 C ATOM 0 H ILE A 34 8.816 14.770 -4.947 1.00 22.23 H new ATOM 0 HA ILE A 34 10.817 13.148 -3.955 1.00 23.22 H new ATOM 0 HB ILE A 34 8.546 12.424 -5.870 1.00 24.11 H new ATOM 0 HG12 ILE A 34 7.785 13.635 -3.848 1.00 2.32 H new ATOM 0 HG13 ILE A 34 7.201 11.984 -3.901 1.00 2.32 H new ATOM 0 HG21 ILE A 34 8.684 10.167 -4.868 1.00 71.11 H new ATOM 0 HG22 ILE A 34 10.194 10.617 -5.695 1.00 71.11 H new ATOM 0 HG23 ILE A 34 10.099 10.682 -3.919 1.00 71.11 H new ATOM 0 HD11 ILE A 34 7.922 12.586 -1.642 1.00 61.54 H new ATOM 0 HD12 ILE A 34 8.956 11.297 -2.304 1.00 61.54 H new ATOM 0 HD13 ILE A 34 9.549 12.974 -2.250 1.00 61.54 H new ATOM 546 N SER A 35 12.488 12.616 -5.723 1.00 51.45 N ATOM 547 CA SER A 35 13.502 12.256 -6.731 1.00 73.14 C ATOM 548 C SER A 35 13.275 10.836 -7.268 1.00 42.22 C ATOM 549 O SER A 35 13.476 10.562 -8.455 1.00 11.40 O ATOM 550 CB SER A 35 14.911 12.347 -6.124 1.00 62.21 C ATOM 551 OG SER A 35 15.114 13.582 -5.452 1.00 74.55 O ATOM 0 H SER A 35 12.835 12.618 -4.764 1.00 51.45 H new ATOM 0 HA SER A 35 13.410 12.961 -7.557 1.00 73.14 H new ATOM 0 HB2 SER A 35 15.060 11.524 -5.426 1.00 62.21 H new ATOM 0 HB3 SER A 35 15.655 12.235 -6.913 1.00 62.21 H new ATOM 0 HG SER A 35 16.019 13.605 -5.077 1.00 74.55 H new ATOM 557 N ASP A 36 12.868 9.938 -6.377 1.00 42.30 N ATOM 558 CA ASP A 36 12.621 8.535 -6.725 1.00 72.02 C ATOM 559 C ASP A 36 11.258 8.066 -6.178 1.00 63.22 C ATOM 560 O ASP A 36 11.162 7.592 -5.046 1.00 62.42 O ATOM 561 CB ASP A 36 13.765 7.668 -6.177 1.00 63.04 C ATOM 562 CG ASP A 36 13.570 6.181 -6.423 1.00 43.31 C ATOM 563 OD1 ASP A 36 12.982 5.809 -7.459 1.00 64.42 O ATOM 564 OD2 ASP A 36 14.010 5.376 -5.577 1.00 23.31 O ATOM 0 H ASP A 36 12.699 10.157 -5.395 1.00 42.30 H new ATOM 0 HA ASP A 36 12.588 8.434 -7.810 1.00 72.02 H new ATOM 0 HB2 ASP A 36 14.702 7.984 -6.636 1.00 63.04 H new ATOM 0 HB3 ASP A 36 13.860 7.841 -5.105 1.00 63.04 H new ATOM 569 N PRO A 37 10.179 8.219 -6.975 1.00 55.04 N ATOM 570 CA PRO A 37 8.811 7.872 -6.541 1.00 2.14 C ATOM 571 C PRO A 37 8.607 6.366 -6.306 1.00 40.42 C ATOM 572 O PRO A 37 8.022 5.959 -5.300 1.00 33.10 O ATOM 573 CB PRO A 37 7.932 8.368 -7.702 1.00 21.14 C ATOM 574 CG PRO A 37 8.840 8.389 -8.888 1.00 71.11 C ATOM 575 CD PRO A 37 10.201 8.750 -8.355 1.00 41.54 C ATOM 0 HA PRO A 37 8.572 8.325 -5.579 1.00 2.14 H new ATOM 0 HB2 PRO A 37 7.083 7.705 -7.866 1.00 21.14 H new ATOM 0 HB3 PRO A 37 7.528 9.359 -7.496 1.00 21.14 H new ATOM 0 HG2 PRO A 37 8.859 7.418 -9.384 1.00 71.11 H new ATOM 0 HG3 PRO A 37 8.503 9.117 -9.626 1.00 71.11 H new ATOM 0 HD2 PRO A 37 10.997 8.299 -8.947 1.00 41.54 H new ATOM 0 HD3 PRO A 37 10.365 9.827 -8.369 1.00 41.54 H new ATOM 583 N GLU A 38 9.098 5.544 -7.229 1.00 31.40 N ATOM 584 CA GLU A 38 8.899 4.092 -7.155 1.00 73.12 C ATOM 585 C GLU A 38 9.652 3.481 -5.959 1.00 44.24 C ATOM 586 O GLU A 38 9.141 2.585 -5.285 1.00 31.21 O ATOM 587 CB GLU A 38 9.329 3.438 -8.478 1.00 0.25 C ATOM 588 CG GLU A 38 8.572 3.994 -9.686 1.00 73.55 C ATOM 589 CD GLU A 38 8.975 3.372 -11.015 1.00 3.14 C ATOM 590 OE1 GLU A 38 10.039 3.739 -11.551 1.00 55.23 O ATOM 591 OE2 GLU A 38 8.216 2.532 -11.541 1.00 74.14 O ATOM 0 H GLU A 38 9.637 5.854 -8.038 1.00 31.40 H new ATOM 0 HA GLU A 38 7.838 3.896 -6.997 1.00 73.12 H new ATOM 0 HB2 GLU A 38 10.398 3.591 -8.623 1.00 0.25 H new ATOM 0 HB3 GLU A 38 9.166 2.362 -8.416 1.00 0.25 H new ATOM 0 HG2 GLU A 38 7.504 3.839 -9.534 1.00 73.55 H new ATOM 0 HG3 GLU A 38 8.734 5.071 -9.738 1.00 73.55 H new ATOM 598 N GLY A 39 10.856 3.982 -5.690 1.00 73.45 N ATOM 599 CA GLY A 39 11.612 3.538 -4.522 1.00 43.01 C ATOM 600 C GLY A 39 11.052 4.086 -3.209 1.00 43.43 C ATOM 601 O GLY A 39 10.972 3.367 -2.212 1.00 65.33 O ATOM 0 H GLY A 39 11.325 4.688 -6.258 1.00 73.45 H new ATOM 0 HA2 GLY A 39 11.609 2.449 -4.486 1.00 43.01 H new ATOM 0 HA3 GLY A 39 12.651 3.851 -4.627 1.00 43.01 H new ATOM 605 N PHE A 40 10.653 5.363 -3.213 1.00 1.23 N ATOM 606 CA PHE A 40 10.067 6.011 -2.027 1.00 12.31 C ATOM 607 C PHE A 40 8.827 5.245 -1.528 1.00 1.30 C ATOM 608 O PHE A 40 8.613 5.096 -0.322 1.00 51.01 O ATOM 609 CB PHE A 40 9.698 7.466 -2.358 1.00 53.34 C ATOM 610 CG PHE A 40 9.127 8.245 -1.198 1.00 53.42 C ATOM 611 CD1 PHE A 40 9.955 8.720 -0.190 1.00 75.45 C ATOM 612 CD2 PHE A 40 7.767 8.510 -1.121 1.00 40.41 C ATOM 613 CE1 PHE A 40 9.438 9.442 0.869 1.00 22.01 C ATOM 614 CE2 PHE A 40 7.246 9.231 -0.064 1.00 3.23 C ATOM 615 CZ PHE A 40 8.082 9.696 0.932 1.00 30.05 C ATOM 0 H PHE A 40 10.725 5.973 -4.027 1.00 1.23 H new ATOM 0 HA PHE A 40 10.809 6.000 -1.228 1.00 12.31 H new ATOM 0 HB2 PHE A 40 10.588 7.980 -2.722 1.00 53.34 H new ATOM 0 HB3 PHE A 40 8.974 7.468 -3.173 1.00 53.34 H new ATOM 0 HD1 PHE A 40 11.016 8.523 -0.234 1.00 75.45 H new ATOM 0 HD2 PHE A 40 7.108 8.148 -1.897 1.00 40.41 H new ATOM 0 HE1 PHE A 40 10.093 9.807 1.646 1.00 22.01 H new ATOM 0 HE2 PHE A 40 6.186 9.431 -0.017 1.00 3.23 H new ATOM 0 HZ PHE A 40 7.676 10.258 1.760 1.00 30.05 H new ATOM 625 N LEU A 41 8.011 4.768 -2.465 1.00 64.41 N ATOM 626 CA LEU A 41 6.838 3.955 -2.130 1.00 12.25 C ATOM 627 C LEU A 41 7.249 2.562 -1.629 1.00 23.43 C ATOM 628 O LEU A 41 6.702 2.056 -0.655 1.00 61.33 O ATOM 629 CB LEU A 41 5.920 3.821 -3.350 1.00 63.15 C ATOM 630 CG LEU A 41 5.346 5.140 -3.891 1.00 52.32 C ATOM 631 CD1 LEU A 41 4.526 4.897 -5.154 1.00 64.02 C ATOM 632 CD2 LEU A 41 4.507 5.842 -2.825 1.00 71.34 C ATOM 0 H LEU A 41 8.138 4.929 -3.464 1.00 64.41 H new ATOM 0 HA LEU A 41 6.300 4.460 -1.328 1.00 12.25 H new ATOM 0 HB2 LEU A 41 6.476 3.331 -4.150 1.00 63.15 H new ATOM 0 HB3 LEU A 41 5.091 3.163 -3.089 1.00 63.15 H new ATOM 0 HG LEU A 41 6.180 5.792 -4.150 1.00 52.32 H new ATOM 0 HD11 LEU A 41 4.130 5.845 -5.519 1.00 64.02 H new ATOM 0 HD12 LEU A 41 5.161 4.450 -5.919 1.00 64.02 H new ATOM 0 HD13 LEU A 41 3.701 4.222 -4.928 1.00 64.02 H new ATOM 0 HD21 LEU A 41 4.110 6.773 -3.229 1.00 71.34 H new ATOM 0 HD22 LEU A 41 3.682 5.195 -2.527 1.00 71.34 H new ATOM 0 HD23 LEU A 41 5.129 6.059 -1.957 1.00 71.34 H new ATOM 644 N GLN A 42 8.225 1.953 -2.299 1.00 10.11 N ATOM 645 CA GLN A 42 8.711 0.615 -1.929 1.00 45.50 C ATOM 646 C GLN A 42 9.228 0.592 -0.475 1.00 41.03 C ATOM 647 O GLN A 42 8.921 -0.324 0.289 1.00 52.31 O ATOM 648 CB GLN A 42 9.814 0.181 -2.918 1.00 43.42 C ATOM 649 CG GLN A 42 10.209 -1.299 -2.858 1.00 71.23 C ATOM 650 CD GLN A 42 11.211 -1.633 -1.760 1.00 43.10 C ATOM 651 OE1 GLN A 42 10.731 -2.075 -0.615 1.00 33.25 O flip ATOM 652 NE2 GLN A 42 12.418 -1.536 -1.955 1.00 60.32 N flip ATOM 0 H GLN A 42 8.699 2.362 -3.104 1.00 10.11 H new ATOM 0 HA GLN A 42 7.883 -0.092 -1.986 1.00 45.50 H new ATOM 0 HB2 GLN A 42 9.480 0.409 -3.930 1.00 43.42 H new ATOM 0 HB3 GLN A 42 10.703 0.784 -2.732 1.00 43.42 H new ATOM 0 HG2 GLN A 42 9.310 -1.898 -2.709 1.00 71.23 H new ATOM 0 HG3 GLN A 42 10.630 -1.591 -3.820 1.00 71.23 H new ATOM 0 HE21 GLN A 42 12.764 -1.191 -2.850 1.00 60.32 H new ATOM 0 HE22 GLN A 42 13.076 -1.800 -1.222 1.00 60.32 H new ATOM 661 N ALA A 43 9.998 1.610 -0.100 1.00 53.10 N ATOM 662 CA ALA A 43 10.583 1.696 1.246 1.00 21.12 C ATOM 663 C ALA A 43 9.525 1.977 2.332 1.00 5.13 C ATOM 664 O ALA A 43 9.622 1.465 3.449 1.00 55.41 O ATOM 665 CB ALA A 43 11.663 2.770 1.271 1.00 34.43 C ATOM 0 H ALA A 43 10.235 2.393 -0.709 1.00 53.10 H new ATOM 0 HA ALA A 43 11.022 0.725 1.474 1.00 21.12 H new ATOM 0 HB1 ALA A 43 12.093 2.830 2.271 1.00 34.43 H new ATOM 0 HB2 ALA A 43 12.444 2.517 0.554 1.00 34.43 H new ATOM 0 HB3 ALA A 43 11.225 3.732 1.006 1.00 34.43 H new ATOM 671 N SER A 44 8.523 2.792 2.002 1.00 51.22 N ATOM 672 CA SER A 44 7.469 3.170 2.963 1.00 0.43 C ATOM 673 C SER A 44 6.405 2.071 3.115 1.00 74.21 C ATOM 674 O SER A 44 6.069 1.661 4.226 1.00 41.54 O ATOM 675 CB SER A 44 6.799 4.483 2.527 1.00 43.02 C ATOM 676 OG SER A 44 6.260 4.380 1.216 1.00 65.05 O ATOM 0 H SER A 44 8.413 3.207 1.077 1.00 51.22 H new ATOM 0 HA SER A 44 7.949 3.306 3.932 1.00 0.43 H new ATOM 0 HB2 SER A 44 6.006 4.739 3.229 1.00 43.02 H new ATOM 0 HB3 SER A 44 7.527 5.293 2.560 1.00 43.02 H new ATOM 0 HG SER A 44 6.928 4.676 0.563 1.00 65.05 H new ATOM 682 N LEU A 45 5.882 1.594 1.988 1.00 53.23 N ATOM 683 CA LEU A 45 4.852 0.545 1.982 1.00 1.24 C ATOM 684 C LEU A 45 5.418 -0.816 2.429 1.00 21.54 C ATOM 685 O LEU A 45 4.664 -1.756 2.677 1.00 52.42 O ATOM 686 CB LEU A 45 4.244 0.420 0.578 1.00 54.30 C ATOM 687 CG LEU A 45 3.656 1.718 -0.006 1.00 22.12 C ATOM 688 CD1 LEU A 45 3.155 1.492 -1.429 1.00 73.42 C ATOM 689 CD2 LEU A 45 2.534 2.248 0.881 1.00 4.35 C ATOM 0 H LEU A 45 6.153 1.916 1.059 1.00 53.23 H new ATOM 0 HA LEU A 45 4.080 0.834 2.695 1.00 1.24 H new ATOM 0 HB2 LEU A 45 5.013 0.052 -0.101 1.00 54.30 H new ATOM 0 HB3 LEU A 45 3.457 -0.334 0.607 1.00 54.30 H new ATOM 0 HG LEU A 45 4.449 2.466 -0.038 1.00 22.12 H new ATOM 0 HD11 LEU A 45 2.744 2.422 -1.822 1.00 73.42 H new ATOM 0 HD12 LEU A 45 3.983 1.167 -2.059 1.00 73.42 H new ATOM 0 HD13 LEU A 45 2.380 0.726 -1.424 1.00 73.42 H new ATOM 0 HD21 LEU A 45 2.132 3.165 0.451 1.00 4.35 H new ATOM 0 HD22 LEU A 45 1.742 1.502 0.950 1.00 4.35 H new ATOM 0 HD23 LEU A 45 2.925 2.455 1.877 1.00 4.35 H new ATOM 701 N LYS A 46 6.747 -0.898 2.541 1.00 31.42 N ATOM 702 CA LYS A 46 7.449 -2.139 2.910 1.00 62.13 C ATOM 703 C LYS A 46 6.840 -2.831 4.144 1.00 22.33 C ATOM 704 O LYS A 46 6.732 -4.055 4.192 1.00 1.15 O ATOM 705 CB LYS A 46 8.929 -1.830 3.191 1.00 23.14 C ATOM 706 CG LYS A 46 9.782 -3.068 3.459 1.00 70.02 C ATOM 707 CD LYS A 46 11.214 -2.721 3.877 1.00 24.30 C ATOM 708 CE LYS A 46 11.312 -2.270 5.337 1.00 63.22 C ATOM 709 NZ LYS A 46 10.643 -0.964 5.591 1.00 34.01 N ATOM 0 H LYS A 46 7.370 -0.107 2.379 1.00 31.42 H new ATOM 0 HA LYS A 46 7.345 -2.822 2.067 1.00 62.13 H new ATOM 0 HB2 LYS A 46 9.345 -1.292 2.339 1.00 23.14 H new ATOM 0 HB3 LYS A 46 8.993 -1.164 4.051 1.00 23.14 H new ATOM 0 HG2 LYS A 46 9.314 -3.664 4.242 1.00 70.02 H new ATOM 0 HG3 LYS A 46 9.810 -3.686 2.562 1.00 70.02 H new ATOM 0 HD2 LYS A 46 11.853 -3.591 3.726 1.00 24.30 H new ATOM 0 HD3 LYS A 46 11.595 -1.930 3.231 1.00 24.30 H new ATOM 0 HE2 LYS A 46 10.865 -3.031 5.977 1.00 63.22 H new ATOM 0 HE3 LYS A 46 12.362 -2.194 5.618 1.00 63.22 H new ATOM 0 HZ1 LYS A 46 11.128 -0.471 6.368 1.00 34.01 H new ATOM 0 HZ2 LYS A 46 10.684 -0.380 4.731 1.00 34.01 H new ATOM 0 HZ3 LYS A 46 9.649 -1.128 5.851 1.00 34.01 H new ATOM 723 N ASP A 47 6.458 -2.042 5.143 1.00 30.03 N ATOM 724 CA ASP A 47 5.968 -2.585 6.415 1.00 54.12 C ATOM 725 C ASP A 47 4.444 -2.803 6.415 1.00 41.01 C ATOM 726 O ASP A 47 3.869 -3.215 7.424 1.00 30.52 O ATOM 727 CB ASP A 47 6.374 -1.647 7.550 1.00 32.33 C ATOM 728 CG ASP A 47 7.865 -1.371 7.529 1.00 64.33 C ATOM 729 OD1 ASP A 47 8.306 -0.557 6.691 1.00 42.03 O ATOM 730 OD2 ASP A 47 8.606 -1.978 8.325 1.00 60.22 O ATOM 0 H ASP A 47 6.477 -1.023 5.101 1.00 30.03 H new ATOM 0 HA ASP A 47 6.422 -3.565 6.559 1.00 54.12 H new ATOM 0 HB2 ASP A 47 5.827 -0.708 7.462 1.00 32.33 H new ATOM 0 HB3 ASP A 47 6.097 -2.089 8.507 1.00 32.33 H new ATOM 735 N GLY A 48 3.792 -2.511 5.289 1.00 5.01 N ATOM 736 CA GLY A 48 2.352 -2.743 5.159 1.00 75.04 C ATOM 737 C GLY A 48 1.471 -1.733 5.903 1.00 54.34 C ATOM 738 O GLY A 48 0.334 -1.490 5.500 1.00 70.12 O ATOM 0 H GLY A 48 4.234 -2.116 4.459 1.00 5.01 H new ATOM 0 HA2 GLY A 48 2.089 -2.724 4.101 1.00 75.04 H new ATOM 0 HA3 GLY A 48 2.124 -3.744 5.527 1.00 75.04 H new ATOM 742 N VAL A 49 1.992 -1.143 6.981 1.00 64.33 N ATOM 743 CA VAL A 49 1.228 -0.198 7.817 1.00 73.03 C ATOM 744 C VAL A 49 0.513 0.885 6.984 1.00 24.51 C ATOM 745 O VAL A 49 -0.683 1.136 7.166 1.00 10.02 O ATOM 746 CB VAL A 49 2.147 0.487 8.862 1.00 4.42 C ATOM 747 CG1 VAL A 49 1.342 1.398 9.790 1.00 44.23 C ATOM 748 CG2 VAL A 49 2.925 -0.559 9.664 1.00 1.02 C ATOM 0 H VAL A 49 2.947 -1.301 7.302 1.00 64.33 H new ATOM 0 HA VAL A 49 0.467 -0.790 8.326 1.00 73.03 H new ATOM 0 HB VAL A 49 2.864 1.109 8.325 1.00 4.42 H new ATOM 0 HG11 VAL A 49 2.012 1.865 10.512 1.00 44.23 H new ATOM 0 HG12 VAL A 49 0.847 2.171 9.202 1.00 44.23 H new ATOM 0 HG13 VAL A 49 0.593 0.809 10.318 1.00 44.23 H new ATOM 0 HG21 VAL A 49 3.564 -0.058 10.392 1.00 1.02 H new ATOM 0 HG22 VAL A 49 2.225 -1.213 10.185 1.00 1.02 H new ATOM 0 HG23 VAL A 49 3.541 -1.152 8.988 1.00 1.02 H new ATOM 758 N VAL A 50 1.246 1.523 6.072 1.00 52.22 N ATOM 759 CA VAL A 50 0.665 2.551 5.198 1.00 73.55 C ATOM 760 C VAL A 50 -0.444 1.963 4.303 1.00 60.43 C ATOM 761 O VAL A 50 -1.465 2.606 4.052 1.00 33.34 O ATOM 762 CB VAL A 50 1.753 3.213 4.308 1.00 50.32 C ATOM 763 CG1 VAL A 50 1.153 4.324 3.445 1.00 23.33 C ATOM 764 CG2 VAL A 50 2.902 3.754 5.161 1.00 5.33 C ATOM 0 H VAL A 50 2.239 1.350 5.917 1.00 52.22 H new ATOM 0 HA VAL A 50 0.228 3.311 5.846 1.00 73.55 H new ATOM 0 HB VAL A 50 2.153 2.446 3.644 1.00 50.32 H new ATOM 0 HG11 VAL A 50 1.935 4.771 2.832 1.00 23.33 H new ATOM 0 HG12 VAL A 50 0.380 3.906 2.800 1.00 23.33 H new ATOM 0 HG13 VAL A 50 0.715 5.088 4.088 1.00 23.33 H new ATOM 0 HG21 VAL A 50 3.650 4.212 4.515 1.00 5.33 H new ATOM 0 HG22 VAL A 50 2.518 4.500 5.857 1.00 5.33 H new ATOM 0 HG23 VAL A 50 3.357 2.936 5.720 1.00 5.33 H new ATOM 774 N LEU A 51 -0.242 0.724 3.846 1.00 0.53 N ATOM 775 CA LEU A 51 -1.228 0.029 3.007 1.00 2.51 C ATOM 776 C LEU A 51 -2.534 -0.229 3.772 1.00 42.23 C ATOM 777 O LEU A 51 -3.626 0.000 3.252 1.00 51.44 O ATOM 778 CB LEU A 51 -0.655 -1.303 2.506 1.00 3.14 C ATOM 779 CG LEU A 51 0.541 -1.195 1.548 1.00 1.10 C ATOM 780 CD1 LEU A 51 1.094 -2.579 1.222 1.00 52.43 C ATOM 781 CD2 LEU A 51 0.143 -0.458 0.268 1.00 44.01 C ATOM 0 H LEU A 51 0.597 0.179 4.043 1.00 0.53 H new ATOM 0 HA LEU A 51 -1.450 0.674 2.157 1.00 2.51 H new ATOM 0 HB2 LEU A 51 -0.353 -1.895 3.370 1.00 3.14 H new ATOM 0 HB3 LEU A 51 -1.450 -1.854 2.004 1.00 3.14 H new ATOM 0 HG LEU A 51 1.324 -0.621 2.042 1.00 1.10 H new ATOM 0 HD11 LEU A 51 1.940 -2.482 0.542 1.00 52.43 H new ATOM 0 HD12 LEU A 51 1.421 -3.066 2.141 1.00 52.43 H new ATOM 0 HD13 LEU A 51 0.317 -3.179 0.750 1.00 52.43 H new ATOM 0 HD21 LEU A 51 1.004 -0.392 -0.397 1.00 44.01 H new ATOM 0 HD22 LEU A 51 -0.659 -1.002 -0.230 1.00 44.01 H new ATOM 0 HD23 LEU A 51 -0.200 0.546 0.518 1.00 44.01 H new ATOM 793 N CYS A 52 -2.415 -0.711 5.008 1.00 12.14 N ATOM 794 CA CYS A 52 -3.585 -0.974 5.852 1.00 33.03 C ATOM 795 C CYS A 52 -4.427 0.296 6.042 1.00 53.25 C ATOM 796 O CYS A 52 -5.650 0.266 5.894 1.00 4.11 O ATOM 797 CB CYS A 52 -3.149 -1.530 7.209 1.00 50.35 C ATOM 798 SG CYS A 52 -2.158 -3.041 7.102 1.00 64.13 S ATOM 0 H CYS A 52 -1.521 -0.928 5.449 1.00 12.14 H new ATOM 0 HA CYS A 52 -4.203 -1.718 5.349 1.00 33.03 H new ATOM 0 HB2 CYS A 52 -2.574 -0.767 7.735 1.00 50.35 H new ATOM 0 HB3 CYS A 52 -4.036 -1.731 7.810 1.00 50.35 H new ATOM 0 HG CYS A 52 -1.049 -2.789 6.472 1.00 64.13 H new ATOM 804 N ARG A 53 -3.768 1.414 6.358 1.00 35.51 N ATOM 805 CA ARG A 53 -4.459 2.708 6.452 1.00 75.03 C ATOM 806 C ARG A 53 -5.106 3.081 5.106 1.00 52.13 C ATOM 807 O ARG A 53 -6.248 3.541 5.056 1.00 14.43 O ATOM 808 CB ARG A 53 -3.487 3.816 6.883 1.00 23.50 C ATOM 809 CG ARG A 53 -2.971 3.683 8.313 1.00 43.10 C ATOM 810 CD ARG A 53 -2.129 4.892 8.714 1.00 52.31 C ATOM 811 NE ARG A 53 -1.719 4.849 10.117 1.00 32.12 N ATOM 812 CZ ARG A 53 -1.234 5.875 10.769 1.00 21.32 C ATOM 813 NH1 ARG A 53 -1.107 7.025 10.191 1.00 0.43 N ATOM 814 NH2 ARG A 53 -0.884 5.753 12.007 1.00 24.31 N ATOM 0 H ARG A 53 -2.767 1.453 6.552 1.00 35.51 H new ATOM 0 HA ARG A 53 -5.241 2.612 7.205 1.00 75.03 H new ATOM 0 HB2 ARG A 53 -2.636 3.821 6.202 1.00 23.50 H new ATOM 0 HB3 ARG A 53 -3.985 4.780 6.778 1.00 23.50 H new ATOM 0 HG2 ARG A 53 -3.813 3.580 8.998 1.00 43.10 H new ATOM 0 HG3 ARG A 53 -2.374 2.775 8.404 1.00 43.10 H new ATOM 0 HD2 ARG A 53 -1.243 4.939 8.081 1.00 52.31 H new ATOM 0 HD3 ARG A 53 -2.699 5.803 8.533 1.00 52.31 H new ATOM 0 HE ARG A 53 -1.817 3.966 10.618 1.00 32.12 H new ATOM 0 HH11 ARG A 53 -1.386 7.140 9.217 1.00 0.43 H new ATOM 0 HH12 ARG A 53 -0.728 7.817 10.710 1.00 0.43 H new ATOM 0 HH21 ARG A 53 -0.985 4.855 12.479 1.00 24.31 H new ATOM 0 HH22 ARG A 53 -0.506 6.555 12.512 1.00 24.31 H new ATOM 828 N LEU A 54 -4.359 2.875 4.020 1.00 63.32 N ATOM 829 CA LEU A 54 -4.852 3.136 2.660 1.00 31.12 C ATOM 830 C LEU A 54 -6.189 2.424 2.397 1.00 2.40 C ATOM 831 O LEU A 54 -7.153 3.037 1.927 1.00 32.54 O ATOM 832 CB LEU A 54 -3.801 2.684 1.635 1.00 3.14 C ATOM 833 CG LEU A 54 -4.204 2.826 0.158 1.00 22.02 C ATOM 834 CD1 LEU A 54 -4.480 4.282 -0.195 1.00 33.32 C ATOM 835 CD2 LEU A 54 -3.124 2.243 -0.749 1.00 12.12 C ATOM 0 H LEU A 54 -3.401 2.525 4.054 1.00 63.32 H new ATOM 0 HA LEU A 54 -5.024 4.208 2.560 1.00 31.12 H new ATOM 0 HB2 LEU A 54 -2.889 3.258 1.800 1.00 3.14 H new ATOM 0 HB3 LEU A 54 -3.559 1.639 1.827 1.00 3.14 H new ATOM 0 HG LEU A 54 -5.125 2.264 0.001 1.00 22.02 H new ATOM 0 HD11 LEU A 54 -4.763 4.354 -1.245 1.00 33.32 H new ATOM 0 HD12 LEU A 54 -5.292 4.659 0.426 1.00 33.32 H new ATOM 0 HD13 LEU A 54 -3.583 4.875 -0.019 1.00 33.32 H new ATOM 0 HD21 LEU A 54 -3.426 2.352 -1.791 1.00 12.12 H new ATOM 0 HD22 LEU A 54 -2.186 2.774 -0.586 1.00 12.12 H new ATOM 0 HD23 LEU A 54 -2.988 1.186 -0.519 1.00 12.12 H new ATOM 847 N LEU A 55 -6.245 1.132 2.711 1.00 51.20 N ATOM 848 CA LEU A 55 -7.467 0.343 2.530 1.00 53.12 C ATOM 849 C LEU A 55 -8.595 0.844 3.445 1.00 11.15 C ATOM 850 O LEU A 55 -9.752 0.884 3.043 1.00 22.43 O ATOM 851 CB LEU A 55 -7.189 -1.145 2.785 1.00 0.33 C ATOM 852 CG LEU A 55 -8.384 -2.091 2.563 1.00 53.21 C ATOM 853 CD1 LEU A 55 -8.956 -1.921 1.156 1.00 24.32 C ATOM 854 CD2 LEU A 55 -7.972 -3.542 2.808 1.00 64.51 C ATOM 0 H LEU A 55 -5.459 0.606 3.093 1.00 51.20 H new ATOM 0 HA LEU A 55 -7.794 0.465 1.498 1.00 53.12 H new ATOM 0 HB2 LEU A 55 -6.373 -1.461 2.135 1.00 0.33 H new ATOM 0 HB3 LEU A 55 -6.842 -1.261 3.812 1.00 0.33 H new ATOM 0 HG LEU A 55 -9.164 -1.831 3.279 1.00 53.21 H new ATOM 0 HD11 LEU A 55 -9.799 -2.599 1.022 1.00 24.32 H new ATOM 0 HD12 LEU A 55 -9.292 -0.893 1.022 1.00 24.32 H new ATOM 0 HD13 LEU A 55 -8.185 -2.150 0.420 1.00 24.32 H new ATOM 0 HD21 LEU A 55 -8.829 -4.196 2.646 1.00 64.51 H new ATOM 0 HD22 LEU A 55 -7.173 -3.815 2.119 1.00 64.51 H new ATOM 0 HD23 LEU A 55 -7.620 -3.652 3.834 1.00 64.51 H new ATOM 866 N GLU A 56 -8.250 1.237 4.671 1.00 13.33 N ATOM 867 CA GLU A 56 -9.237 1.777 5.619 1.00 35.31 C ATOM 868 C GLU A 56 -9.788 3.144 5.170 1.00 61.03 C ATOM 869 O GLU A 56 -10.877 3.545 5.580 1.00 53.41 O ATOM 870 CB GLU A 56 -8.620 1.888 7.020 1.00 72.42 C ATOM 871 CG GLU A 56 -8.401 0.544 7.706 1.00 21.54 C ATOM 872 CD GLU A 56 -9.702 -0.201 7.980 1.00 70.43 C ATOM 873 OE1 GLU A 56 -10.365 0.103 8.996 1.00 4.42 O ATOM 874 OE2 GLU A 56 -10.071 -1.089 7.184 1.00 72.02 O ATOM 0 H GLU A 56 -7.298 1.194 5.035 1.00 13.33 H new ATOM 0 HA GLU A 56 -10.076 1.082 5.646 1.00 35.31 H new ATOM 0 HB2 GLU A 56 -7.664 2.407 6.946 1.00 72.42 H new ATOM 0 HB3 GLU A 56 -9.269 2.502 7.644 1.00 72.42 H new ATOM 0 HG2 GLU A 56 -7.758 -0.076 7.082 1.00 21.54 H new ATOM 0 HG3 GLU A 56 -7.874 0.704 8.647 1.00 21.54 H new ATOM 881 N ARG A 57 -9.038 3.860 4.334 1.00 0.01 N ATOM 882 CA ARG A 57 -9.499 5.146 3.790 1.00 40.31 C ATOM 883 C ARG A 57 -10.620 4.961 2.753 1.00 70.11 C ATOM 884 O ARG A 57 -11.587 5.727 2.717 1.00 51.13 O ATOM 885 CB ARG A 57 -8.331 5.907 3.150 1.00 11.43 C ATOM 886 CG ARG A 57 -7.282 6.392 4.146 1.00 42.43 C ATOM 887 CD ARG A 57 -7.864 7.372 5.161 1.00 22.30 C ATOM 888 NE ARG A 57 -8.528 8.502 4.514 1.00 34.34 N ATOM 889 CZ ARG A 57 -8.687 9.675 5.060 1.00 73.20 C ATOM 890 NH1 ARG A 57 -8.212 9.934 6.235 1.00 2.33 N ATOM 891 NH2 ARG A 57 -9.321 10.600 4.420 1.00 41.51 N ATOM 0 H ARG A 57 -8.111 3.577 4.017 1.00 0.01 H new ATOM 0 HA ARG A 57 -9.899 5.723 4.624 1.00 40.31 H new ATOM 0 HB2 ARG A 57 -7.849 5.261 2.417 1.00 11.43 H new ATOM 0 HB3 ARG A 57 -8.725 6.766 2.607 1.00 11.43 H new ATOM 0 HG2 ARG A 57 -6.858 5.536 4.671 1.00 42.43 H new ATOM 0 HG3 ARG A 57 -6.465 6.872 3.607 1.00 42.43 H new ATOM 0 HD2 ARG A 57 -8.576 6.851 5.801 1.00 22.30 H new ATOM 0 HD3 ARG A 57 -7.067 7.741 5.806 1.00 22.30 H new ATOM 0 HE ARG A 57 -8.892 8.363 3.571 1.00 34.34 H new ATOM 0 HH11 ARG A 57 -7.704 9.215 6.749 1.00 2.33 H new ATOM 0 HH12 ARG A 57 -8.346 10.857 6.647 1.00 2.33 H new ATOM 0 HH21 ARG A 57 -9.696 10.412 3.490 1.00 41.51 H new ATOM 0 HH22 ARG A 57 -9.447 11.519 4.844 1.00 41.51 H new ATOM 905 N LEU A 58 -10.473 3.950 1.901 1.00 52.31 N ATOM 906 CA LEU A 58 -11.454 3.672 0.846 1.00 15.02 C ATOM 907 C LEU A 58 -12.553 2.715 1.341 1.00 11.44 C ATOM 908 O LEU A 58 -13.736 2.916 1.068 1.00 41.35 O ATOM 909 CB LEU A 58 -10.737 3.086 -0.379 1.00 5.21 C ATOM 910 CG LEU A 58 -9.615 3.969 -0.956 1.00 25.15 C ATOM 911 CD1 LEU A 58 -8.905 3.269 -2.111 1.00 35.42 C ATOM 912 CD2 LEU A 58 -10.166 5.323 -1.404 1.00 10.12 C ATOM 0 H LEU A 58 -9.683 3.306 1.918 1.00 52.31 H new ATOM 0 HA LEU A 58 -11.938 4.608 0.567 1.00 15.02 H new ATOM 0 HB2 LEU A 58 -10.315 2.119 -0.107 1.00 5.21 H new ATOM 0 HB3 LEU A 58 -11.474 2.903 -1.161 1.00 5.21 H new ATOM 0 HG LEU A 58 -8.885 4.141 -0.165 1.00 25.15 H new ATOM 0 HD11 LEU A 58 -8.118 3.915 -2.499 1.00 35.42 H new ATOM 0 HD12 LEU A 58 -8.467 2.336 -1.757 1.00 35.42 H new ATOM 0 HD13 LEU A 58 -9.623 3.055 -2.903 1.00 35.42 H new ATOM 0 HD21 LEU A 58 -9.356 5.930 -1.808 1.00 10.12 H new ATOM 0 HD22 LEU A 58 -10.924 5.171 -2.173 1.00 10.12 H new ATOM 0 HD23 LEU A 58 -10.612 5.835 -0.551 1.00 10.12 H new ATOM 924 N LEU A 59 -12.145 1.676 2.069 1.00 41.42 N ATOM 925 CA LEU A 59 -13.073 0.696 2.655 1.00 15.52 C ATOM 926 C LEU A 59 -12.856 0.568 4.178 1.00 64.22 C ATOM 927 O LEU A 59 -12.172 -0.347 4.643 1.00 44.25 O ATOM 928 CB LEU A 59 -12.882 -0.680 1.989 1.00 64.14 C ATOM 929 CG LEU A 59 -13.139 -0.730 0.472 1.00 24.12 C ATOM 930 CD1 LEU A 59 -12.718 -2.082 -0.099 1.00 75.35 C ATOM 931 CD2 LEU A 59 -14.609 -0.450 0.162 1.00 24.01 C ATOM 0 H LEU A 59 -11.164 1.486 2.272 1.00 41.42 H new ATOM 0 HA LEU A 59 -14.089 1.048 2.478 1.00 15.52 H new ATOM 0 HB2 LEU A 59 -11.862 -1.016 2.177 1.00 64.14 H new ATOM 0 HB3 LEU A 59 -13.547 -1.394 2.475 1.00 64.14 H new ATOM 0 HG LEU A 59 -12.537 0.046 -0.001 1.00 24.12 H new ATOM 0 HD11 LEU A 59 -12.907 -2.098 -1.172 1.00 75.35 H new ATOM 0 HD12 LEU A 59 -11.655 -2.239 0.085 1.00 75.35 H new ATOM 0 HD13 LEU A 59 -13.291 -2.875 0.383 1.00 75.35 H new ATOM 0 HD21 LEU A 59 -14.768 -0.490 -0.916 1.00 24.01 H new ATOM 0 HD22 LEU A 59 -15.233 -1.200 0.649 1.00 24.01 H new ATOM 0 HD23 LEU A 59 -14.877 0.540 0.531 1.00 24.01 H new ATOM 943 N PRO A 60 -13.429 1.490 4.978 1.00 62.12 N ATOM 944 CA PRO A 60 -13.224 1.509 6.441 1.00 53.15 C ATOM 945 C PRO A 60 -13.875 0.316 7.162 1.00 61.11 C ATOM 946 O PRO A 60 -15.069 0.053 7.000 1.00 71.23 O ATOM 947 CB PRO A 60 -13.878 2.833 6.872 1.00 40.33 C ATOM 948 CG PRO A 60 -14.896 3.115 5.817 1.00 14.11 C ATOM 949 CD PRO A 60 -14.316 2.584 4.531 1.00 54.22 C ATOM 0 HA PRO A 60 -12.168 1.432 6.699 1.00 53.15 H new ATOM 0 HB2 PRO A 60 -14.341 2.744 7.855 1.00 40.33 H new ATOM 0 HB3 PRO A 60 -13.143 3.635 6.937 1.00 40.33 H new ATOM 0 HG2 PRO A 60 -15.843 2.628 6.048 1.00 14.11 H new ATOM 0 HG3 PRO A 60 -15.096 4.184 5.743 1.00 14.11 H new ATOM 0 HD2 PRO A 60 -15.094 2.221 3.860 1.00 54.22 H new ATOM 0 HD3 PRO A 60 -13.764 3.354 3.992 1.00 54.22 H new ATOM 957 N GLY A 61 -13.085 -0.398 7.963 1.00 43.14 N ATOM 958 CA GLY A 61 -13.599 -1.545 8.708 1.00 5.01 C ATOM 959 C GLY A 61 -13.242 -2.883 8.069 1.00 63.12 C ATOM 960 O GLY A 61 -13.839 -3.917 8.386 1.00 33.03 O ATOM 0 H GLY A 61 -12.095 -0.204 8.112 1.00 43.14 H new ATOM 0 HA2 GLY A 61 -13.204 -1.517 9.724 1.00 5.01 H new ATOM 0 HA3 GLY A 61 -14.683 -1.464 8.785 1.00 5.01 H new ATOM 964 N THR A 62 -12.269 -2.870 7.164 1.00 15.44 N ATOM 965 CA THR A 62 -11.821 -4.096 6.492 1.00 11.11 C ATOM 966 C THR A 62 -10.635 -4.732 7.233 1.00 42.25 C ATOM 967 O THR A 62 -10.607 -5.943 7.467 1.00 2.04 O ATOM 968 CB THR A 62 -11.420 -3.826 5.022 1.00 31.10 C ATOM 969 OG1 THR A 62 -12.499 -3.188 4.320 1.00 3.14 O ATOM 970 CG2 THR A 62 -11.053 -5.121 4.308 1.00 74.22 C ATOM 0 H THR A 62 -11.772 -2.027 6.875 1.00 15.44 H new ATOM 0 HA THR A 62 -12.664 -4.787 6.503 1.00 11.11 H new ATOM 0 HB THR A 62 -10.550 -3.170 5.030 1.00 31.10 H new ATOM 0 HG1 THR A 62 -12.419 -2.216 4.411 1.00 3.14 H new ATOM 0 HG21 THR A 62 -10.775 -4.902 3.277 1.00 74.22 H new ATOM 0 HG22 THR A 62 -10.213 -5.592 4.818 1.00 74.22 H new ATOM 0 HG23 THR A 62 -11.908 -5.797 4.318 1.00 74.22 H new ATOM 978 N ILE A 63 -9.661 -3.910 7.614 1.00 61.34 N ATOM 979 CA ILE A 63 -8.491 -4.380 8.368 1.00 10.03 C ATOM 980 C ILE A 63 -8.827 -4.560 9.857 1.00 41.13 C ATOM 981 O ILE A 63 -9.013 -3.580 10.580 1.00 13.41 O ATOM 982 CB ILE A 63 -7.301 -3.390 8.240 1.00 54.01 C ATOM 983 CG1 ILE A 63 -6.954 -3.143 6.761 1.00 53.11 C ATOM 984 CG2 ILE A 63 -6.078 -3.909 9.003 1.00 14.22 C ATOM 985 CD1 ILE A 63 -6.478 -4.378 6.021 1.00 12.15 C ATOM 0 H ILE A 63 -9.655 -2.910 7.414 1.00 61.34 H new ATOM 0 HA ILE A 63 -8.206 -5.342 7.941 1.00 10.03 H new ATOM 0 HB ILE A 63 -7.601 -2.440 8.683 1.00 54.01 H new ATOM 0 HG12 ILE A 63 -7.833 -2.746 6.254 1.00 53.11 H new ATOM 0 HG13 ILE A 63 -6.180 -2.378 6.704 1.00 53.11 H new ATOM 0 HG21 ILE A 63 -5.257 -3.200 8.900 1.00 14.22 H new ATOM 0 HG22 ILE A 63 -6.328 -4.023 10.058 1.00 14.22 H new ATOM 0 HG23 ILE A 63 -5.777 -4.874 8.595 1.00 14.22 H new ATOM 0 HD11 ILE A 63 -6.255 -4.119 4.986 1.00 12.15 H new ATOM 0 HD12 ILE A 63 -5.579 -4.765 6.500 1.00 12.15 H new ATOM 0 HD13 ILE A 63 -7.258 -5.139 6.044 1.00 12.15 H new ATOM 997 N GLU A 64 -8.907 -5.810 10.310 1.00 74.52 N ATOM 998 CA GLU A 64 -9.213 -6.106 11.716 1.00 2.31 C ATOM 999 C GLU A 64 -8.049 -5.699 12.638 1.00 22.12 C ATOM 1000 O GLU A 64 -8.185 -4.808 13.479 1.00 31.44 O ATOM 1001 CB GLU A 64 -9.516 -7.603 11.896 1.00 25.14 C ATOM 1002 CG GLU A 64 -9.880 -7.987 13.329 1.00 14.13 C ATOM 1003 CD GLU A 64 -10.023 -9.489 13.527 1.00 53.10 C ATOM 1004 OE1 GLU A 64 -11.106 -10.036 13.238 1.00 64.15 O ATOM 1005 OE2 GLU A 64 -9.051 -10.130 13.982 1.00 63.25 O ATOM 0 H GLU A 64 -8.765 -6.636 9.728 1.00 74.52 H new ATOM 0 HA GLU A 64 -10.092 -5.524 11.992 1.00 2.31 H new ATOM 0 HB2 GLU A 64 -10.337 -7.881 11.235 1.00 25.14 H new ATOM 0 HB3 GLU A 64 -8.646 -8.181 11.584 1.00 25.14 H new ATOM 0 HG2 GLU A 64 -9.114 -7.609 14.006 1.00 14.13 H new ATOM 0 HG3 GLU A 64 -10.816 -7.500 13.603 1.00 14.13 H new ATOM 1012 N LYS A 65 -6.906 -6.360 12.467 1.00 43.14 N ATOM 1013 CA LYS A 65 -5.713 -6.090 13.281 1.00 22.25 C ATOM 1014 C LYS A 65 -4.483 -5.824 12.403 1.00 20.44 C ATOM 1015 O LYS A 65 -4.144 -6.627 11.532 1.00 72.20 O ATOM 1016 CB LYS A 65 -5.424 -7.271 14.220 1.00 60.43 C ATOM 1017 CG LYS A 65 -4.175 -7.081 15.084 1.00 64.34 C ATOM 1018 CD LYS A 65 -3.934 -8.270 16.012 1.00 75.32 C ATOM 1019 CE LYS A 65 -3.648 -9.554 15.239 1.00 45.24 C ATOM 1020 NZ LYS A 65 -3.622 -10.741 16.132 1.00 12.11 N ATOM 0 H LYS A 65 -6.776 -7.092 11.768 1.00 43.14 H new ATOM 0 HA LYS A 65 -5.917 -5.197 13.871 1.00 22.25 H new ATOM 0 HB2 LYS A 65 -6.285 -7.425 14.871 1.00 60.43 H new ATOM 0 HB3 LYS A 65 -5.308 -8.177 13.625 1.00 60.43 H new ATOM 0 HG2 LYS A 65 -3.307 -6.942 14.440 1.00 64.34 H new ATOM 0 HG3 LYS A 65 -4.280 -6.173 15.678 1.00 64.34 H new ATOM 0 HD2 LYS A 65 -3.094 -8.050 16.671 1.00 75.32 H new ATOM 0 HD3 LYS A 65 -4.808 -8.417 16.647 1.00 75.32 H new ATOM 0 HE2 LYS A 65 -4.409 -9.693 14.471 1.00 45.24 H new ATOM 0 HE3 LYS A 65 -2.690 -9.464 14.726 1.00 45.24 H new ATOM 0 HZ1 LYS A 65 -3.425 -11.594 15.570 1.00 12.11 H new ATOM 0 HZ2 LYS A 65 -2.879 -10.620 16.849 1.00 12.11 H new ATOM 0 HZ3 LYS A 65 -4.544 -10.842 16.602 1.00 12.11 H new ATOM 1034 N VAL A 66 -3.822 -4.699 12.646 1.00 64.41 N ATOM 1035 CA VAL A 66 -2.593 -4.341 11.934 1.00 53.43 C ATOM 1036 C VAL A 66 -1.456 -4.054 12.925 1.00 23.12 C ATOM 1037 O VAL A 66 -1.691 -3.537 14.017 1.00 72.21 O ATOM 1038 CB VAL A 66 -2.805 -3.100 11.027 1.00 63.23 C ATOM 1039 CG1 VAL A 66 -3.264 -1.897 11.851 1.00 15.12 C ATOM 1040 CG2 VAL A 66 -1.535 -2.768 10.243 1.00 11.51 C ATOM 0 H VAL A 66 -4.117 -4.010 13.338 1.00 64.41 H new ATOM 0 HA VAL A 66 -2.324 -5.191 11.307 1.00 53.43 H new ATOM 0 HB VAL A 66 -3.589 -3.340 10.309 1.00 63.23 H new ATOM 0 HG11 VAL A 66 -3.406 -1.039 11.194 1.00 15.12 H new ATOM 0 HG12 VAL A 66 -4.205 -2.134 12.347 1.00 15.12 H new ATOM 0 HG13 VAL A 66 -2.509 -1.659 12.600 1.00 15.12 H new ATOM 0 HG21 VAL A 66 -1.712 -1.894 9.616 1.00 11.51 H new ATOM 0 HG22 VAL A 66 -0.723 -2.557 10.939 1.00 11.51 H new ATOM 0 HG23 VAL A 66 -1.263 -3.616 9.615 1.00 11.51 H new ATOM 1050 N TYR A 67 -0.232 -4.407 12.547 1.00 43.55 N ATOM 1051 CA TYR A 67 0.949 -4.136 13.374 1.00 25.35 C ATOM 1052 C TYR A 67 1.544 -2.756 13.040 1.00 72.43 C ATOM 1053 O TYR A 67 2.250 -2.607 12.041 1.00 74.10 O ATOM 1054 CB TYR A 67 2.003 -5.230 13.155 1.00 33.21 C ATOM 1055 CG TYR A 67 1.533 -6.624 13.536 1.00 70.13 C ATOM 1056 CD1 TYR A 67 0.786 -7.401 12.653 1.00 14.41 C ATOM 1057 CD2 TYR A 67 1.846 -7.167 14.777 1.00 32.11 C ATOM 1058 CE1 TYR A 67 0.370 -8.673 12.997 1.00 52.14 C ATOM 1059 CE2 TYR A 67 1.433 -8.435 15.128 1.00 44.50 C ATOM 1060 CZ TYR A 67 0.695 -9.185 14.236 1.00 74.23 C ATOM 1061 OH TYR A 67 0.281 -10.452 14.587 1.00 71.00 O ATOM 0 H TYR A 67 -0.027 -4.884 11.669 1.00 43.55 H new ATOM 0 HA TYR A 67 0.645 -4.135 14.421 1.00 25.35 H new ATOM 0 HB2 TYR A 67 2.298 -5.231 12.106 1.00 33.21 H new ATOM 0 HB3 TYR A 67 2.892 -4.986 13.736 1.00 33.21 H new ATOM 0 HD1 TYR A 67 0.528 -7.002 11.683 1.00 14.41 H new ATOM 0 HD2 TYR A 67 2.424 -6.585 15.480 1.00 32.11 H new ATOM 0 HE1 TYR A 67 -0.206 -9.263 12.300 1.00 52.14 H new ATOM 0 HE2 TYR A 67 1.686 -8.839 16.097 1.00 44.50 H new ATOM 0 HH TYR A 67 0.595 -10.660 15.492 1.00 71.00 H new ATOM 1071 N PRO A 68 1.270 -1.727 13.872 1.00 14.25 N ATOM 1072 CA PRO A 68 1.713 -0.346 13.600 1.00 34.45 C ATOM 1073 C PRO A 68 3.223 -0.146 13.812 1.00 62.32 C ATOM 1074 O PRO A 68 3.839 0.735 13.205 1.00 62.43 O ATOM 1075 CB PRO A 68 0.911 0.478 14.615 1.00 62.20 C ATOM 1076 CG PRO A 68 0.681 -0.457 15.754 1.00 63.02 C ATOM 1077 CD PRO A 68 0.519 -1.825 15.142 1.00 20.25 C ATOM 0 HA PRO A 68 1.545 -0.062 12.561 1.00 34.45 H new ATOM 0 HB2 PRO A 68 1.463 1.363 14.933 1.00 62.20 H new ATOM 0 HB3 PRO A 68 -0.031 0.825 14.190 1.00 62.20 H new ATOM 0 HG2 PRO A 68 1.520 -0.438 16.450 1.00 63.02 H new ATOM 0 HG3 PRO A 68 -0.208 -0.174 16.318 1.00 63.02 H new ATOM 0 HD2 PRO A 68 0.923 -2.604 15.788 1.00 20.25 H new ATOM 0 HD3 PRO A 68 -0.530 -2.066 14.970 1.00 20.25 H new ATOM 1085 N GLU A 69 3.811 -0.971 14.674 1.00 1.42 N ATOM 1086 CA GLU A 69 5.249 -0.916 14.959 1.00 12.50 C ATOM 1087 C GLU A 69 5.899 -2.296 14.733 1.00 13.55 C ATOM 1088 O GLU A 69 6.209 -3.025 15.681 1.00 40.33 O ATOM 1089 CB GLU A 69 5.475 -0.407 16.398 1.00 73.02 C ATOM 1090 CG GLU A 69 4.763 -1.231 17.473 1.00 51.22 C ATOM 1091 CD GLU A 69 4.741 -0.549 18.833 1.00 4.41 C ATOM 1092 OE1 GLU A 69 5.805 -0.454 19.482 1.00 14.11 O ATOM 1093 OE2 GLU A 69 3.652 -0.100 19.259 1.00 0.35 O ATOM 0 H GLU A 69 3.312 -1.693 15.193 1.00 1.42 H new ATOM 0 HA GLU A 69 5.727 -0.217 14.273 1.00 12.50 H new ATOM 0 HB2 GLU A 69 6.545 -0.405 16.607 1.00 73.02 H new ATOM 0 HB3 GLU A 69 5.135 0.627 16.464 1.00 73.02 H new ATOM 0 HG2 GLU A 69 3.739 -1.425 17.154 1.00 51.22 H new ATOM 0 HG3 GLU A 69 5.256 -2.198 17.567 1.00 51.22 H new ATOM 1100 N PRO A 70 6.090 -2.688 13.458 1.00 42.52 N ATOM 1101 CA PRO A 70 6.625 -4.013 13.110 1.00 21.35 C ATOM 1102 C PRO A 70 8.114 -4.163 13.461 1.00 42.00 C ATOM 1103 O PRO A 70 8.979 -3.509 12.874 1.00 4.34 O ATOM 1104 CB PRO A 70 6.409 -4.094 11.592 1.00 12.14 C ATOM 1105 CG PRO A 70 6.413 -2.674 11.137 1.00 32.00 C ATOM 1106 CD PRO A 70 5.803 -1.876 12.258 1.00 32.51 C ATOM 0 HA PRO A 70 6.132 -4.810 13.666 1.00 21.35 H new ATOM 0 HB2 PRO A 70 7.200 -4.668 11.109 1.00 12.14 H new ATOM 0 HB3 PRO A 70 5.466 -4.585 11.351 1.00 12.14 H new ATOM 0 HG2 PRO A 70 7.427 -2.336 10.924 1.00 32.00 H new ATOM 0 HG3 PRO A 70 5.839 -2.557 10.218 1.00 32.00 H new ATOM 0 HD2 PRO A 70 6.246 -0.883 12.331 1.00 32.51 H new ATOM 0 HD3 PRO A 70 4.731 -1.737 12.115 1.00 32.51 H new ATOM 1114 N ARG A 71 8.401 -5.019 14.436 1.00 63.24 N ATOM 1115 CA ARG A 71 9.777 -5.261 14.880 1.00 34.11 C ATOM 1116 C ARG A 71 10.374 -6.483 14.167 1.00 5.35 C ATOM 1117 O ARG A 71 11.560 -6.514 13.837 1.00 11.54 O ATOM 1118 CB ARG A 71 9.796 -5.478 16.400 1.00 52.31 C ATOM 1119 CG ARG A 71 9.003 -4.430 17.178 1.00 32.35 C ATOM 1120 CD ARG A 71 9.542 -3.019 16.965 1.00 33.53 C ATOM 1121 NE ARG A 71 8.755 -2.019 17.682 1.00 33.15 N ATOM 1122 CZ ARG A 71 9.015 -0.740 17.677 1.00 14.42 C ATOM 1123 NH1 ARG A 71 10.037 -0.273 17.035 1.00 50.34 N ATOM 1124 NH2 ARG A 71 8.248 0.072 18.322 1.00 43.31 N ATOM 0 H ARG A 71 7.698 -5.561 14.938 1.00 63.24 H new ATOM 0 HA ARG A 71 10.383 -4.391 14.629 1.00 34.11 H new ATOM 0 HB2 ARG A 71 9.392 -6.466 16.622 1.00 52.31 H new ATOM 0 HB3 ARG A 71 10.829 -5.471 16.747 1.00 52.31 H new ATOM 0 HG2 ARG A 71 7.958 -4.467 16.871 1.00 32.35 H new ATOM 0 HG3 ARG A 71 9.032 -4.671 18.241 1.00 32.35 H new ATOM 0 HD2 ARG A 71 10.578 -2.972 17.299 1.00 33.53 H new ATOM 0 HD3 ARG A 71 9.540 -2.787 15.900 1.00 33.53 H new ATOM 0 HE ARG A 71 7.951 -2.341 18.221 1.00 33.15 H new ATOM 0 HH11 ARG A 71 10.652 -0.907 16.524 1.00 50.34 H new ATOM 0 HH12 ARG A 71 10.228 0.729 17.040 1.00 50.34 H new ATOM 0 HH21 ARG A 71 7.442 -0.286 18.834 1.00 43.31 H new ATOM 0 HH22 ARG A 71 8.448 1.072 18.320 1.00 43.31 H new ATOM 1138 N SER A 72 9.534 -7.485 13.930 1.00 21.42 N ATOM 1139 CA SER A 72 9.958 -8.728 13.276 1.00 75.42 C ATOM 1140 C SER A 72 9.414 -8.816 11.844 1.00 54.43 C ATOM 1141 O SER A 72 8.412 -8.182 11.507 1.00 14.04 O ATOM 1142 CB SER A 72 9.473 -9.940 14.081 1.00 60.31 C ATOM 1143 OG SER A 72 9.871 -9.849 15.440 1.00 51.12 O ATOM 0 H SER A 72 8.546 -7.464 14.182 1.00 21.42 H new ATOM 0 HA SER A 72 11.047 -8.728 13.234 1.00 75.42 H new ATOM 0 HB2 SER A 72 8.387 -10.008 14.022 1.00 60.31 H new ATOM 0 HB3 SER A 72 9.874 -10.854 13.643 1.00 60.31 H new ATOM 0 HG SER A 72 9.547 -10.634 15.929 1.00 51.12 H new ATOM 1149 N GLU A 73 10.070 -9.627 11.016 1.00 72.41 N ATOM 1150 CA GLU A 73 9.692 -9.786 9.602 1.00 1.13 C ATOM 1151 C GLU A 73 8.224 -10.229 9.444 1.00 21.35 C ATOM 1152 O GLU A 73 7.486 -9.689 8.616 1.00 21.42 O ATOM 1153 CB GLU A 73 10.623 -10.806 8.928 1.00 32.54 C ATOM 1154 CG GLU A 73 10.312 -11.045 7.455 1.00 10.14 C ATOM 1155 CD GLU A 73 11.179 -12.132 6.842 1.00 32.43 C ATOM 1156 OE1 GLU A 73 10.855 -13.323 7.014 1.00 72.13 O ATOM 1157 OE2 GLU A 73 12.200 -11.803 6.201 1.00 75.31 O ATOM 0 H GLU A 73 10.872 -10.190 11.297 1.00 72.41 H new ATOM 0 HA GLU A 73 9.795 -8.814 9.119 1.00 1.13 H new ATOM 0 HB2 GLU A 73 11.653 -10.461 9.021 1.00 32.54 H new ATOM 0 HB3 GLU A 73 10.555 -11.754 9.462 1.00 32.54 H new ATOM 0 HG2 GLU A 73 9.263 -11.320 7.349 1.00 10.14 H new ATOM 0 HG3 GLU A 73 10.455 -10.117 6.902 1.00 10.14 H new ATOM 1164 N SER A 74 7.807 -11.208 10.249 1.00 21.53 N ATOM 1165 CA SER A 74 6.429 -11.729 10.202 1.00 43.31 C ATOM 1166 C SER A 74 5.386 -10.614 10.357 1.00 55.41 C ATOM 1167 O SER A 74 4.351 -10.633 9.692 1.00 73.42 O ATOM 1168 CB SER A 74 6.208 -12.790 11.291 1.00 12.23 C ATOM 1169 OG SER A 74 7.007 -13.944 11.066 1.00 34.01 O ATOM 0 H SER A 74 8.401 -11.660 10.944 1.00 21.53 H new ATOM 0 HA SER A 74 6.299 -12.183 9.220 1.00 43.31 H new ATOM 0 HB2 SER A 74 6.446 -12.366 12.267 1.00 12.23 H new ATOM 0 HB3 SER A 74 5.156 -13.074 11.315 1.00 12.23 H new ATOM 0 HG SER A 74 6.844 -14.598 11.777 1.00 34.01 H new ATOM 1175 N GLU A 75 5.660 -9.645 11.230 1.00 23.23 N ATOM 1176 CA GLU A 75 4.739 -8.521 11.446 1.00 10.22 C ATOM 1177 C GLU A 75 4.557 -7.693 10.160 1.00 64.24 C ATOM 1178 O GLU A 75 3.431 -7.457 9.717 1.00 63.50 O ATOM 1179 CB GLU A 75 5.239 -7.624 12.587 1.00 45.03 C ATOM 1180 CG GLU A 75 5.323 -8.325 13.941 1.00 1.44 C ATOM 1181 CD GLU A 75 5.794 -7.398 15.053 1.00 5.03 C ATOM 1182 OE1 GLU A 75 4.949 -6.708 15.660 1.00 50.35 O ATOM 1183 OE2 GLU A 75 7.014 -7.344 15.315 1.00 52.14 O ATOM 0 H GLU A 75 6.507 -9.612 11.798 1.00 23.23 H new ATOM 0 HA GLU A 75 3.770 -8.935 11.723 1.00 10.22 H new ATOM 0 HB2 GLU A 75 6.225 -7.240 12.327 1.00 45.03 H new ATOM 0 HB3 GLU A 75 4.575 -6.764 12.676 1.00 45.03 H new ATOM 0 HG2 GLU A 75 4.343 -8.727 14.199 1.00 1.44 H new ATOM 0 HG3 GLU A 75 6.005 -9.172 13.866 1.00 1.44 H new ATOM 1190 N CYS A 76 5.672 -7.270 9.559 1.00 20.43 N ATOM 1191 CA CYS A 76 5.636 -6.502 8.302 1.00 1.15 C ATOM 1192 C CYS A 76 4.890 -7.273 7.201 1.00 15.13 C ATOM 1193 O CYS A 76 3.985 -6.741 6.552 1.00 44.14 O ATOM 1194 CB CYS A 76 7.061 -6.172 7.827 1.00 21.31 C ATOM 1195 SG CYS A 76 8.077 -5.311 9.050 1.00 75.41 S ATOM 0 H CYS A 76 6.611 -7.443 9.918 1.00 20.43 H new ATOM 0 HA CYS A 76 5.101 -5.573 8.500 1.00 1.15 H new ATOM 0 HB2 CYS A 76 7.561 -7.099 7.546 1.00 21.31 H new ATOM 0 HB3 CYS A 76 6.998 -5.558 6.928 1.00 21.31 H new ATOM 0 HG CYS A 76 8.241 -4.074 8.684 1.00 75.41 H new ATOM 1201 N LEU A 77 5.266 -8.540 7.009 1.00 63.41 N ATOM 1202 CA LEU A 77 4.615 -9.404 6.016 1.00 42.54 C ATOM 1203 C LEU A 77 3.114 -9.566 6.302 1.00 32.34 C ATOM 1204 O LEU A 77 2.296 -9.570 5.381 1.00 62.41 O ATOM 1205 CB LEU A 77 5.288 -10.784 5.980 1.00 31.23 C ATOM 1206 CG LEU A 77 6.754 -10.796 5.518 1.00 61.31 C ATOM 1207 CD1 LEU A 77 7.329 -12.209 5.588 1.00 63.02 C ATOM 1208 CD2 LEU A 77 6.881 -10.230 4.104 1.00 31.11 C ATOM 0 H LEU A 77 6.019 -8.992 7.528 1.00 63.41 H new ATOM 0 HA LEU A 77 4.725 -8.923 5.044 1.00 42.54 H new ATOM 0 HB2 LEU A 77 5.237 -11.220 6.978 1.00 31.23 H new ATOM 0 HB3 LEU A 77 4.712 -11.432 5.319 1.00 31.23 H new ATOM 0 HG LEU A 77 7.329 -10.160 6.191 1.00 61.31 H new ATOM 0 HD11 LEU A 77 8.367 -12.196 5.257 1.00 63.02 H new ATOM 0 HD12 LEU A 77 7.280 -12.571 6.615 1.00 63.02 H new ATOM 0 HD13 LEU A 77 6.751 -12.870 4.942 1.00 63.02 H new ATOM 0 HD21 LEU A 77 7.927 -10.248 3.797 1.00 31.11 H new ATOM 0 HD22 LEU A 77 6.291 -10.835 3.416 1.00 31.11 H new ATOM 0 HD23 LEU A 77 6.516 -9.203 4.089 1.00 31.11 H new ATOM 1220 N SER A 78 2.759 -9.692 7.584 1.00 11.22 N ATOM 1221 CA SER A 78 1.354 -9.844 7.991 1.00 22.01 C ATOM 1222 C SER A 78 0.516 -8.642 7.547 1.00 15.33 C ATOM 1223 O SER A 78 -0.586 -8.805 7.030 1.00 13.03 O ATOM 1224 CB SER A 78 1.239 -10.014 9.514 1.00 2.32 C ATOM 1225 OG SER A 78 -0.108 -10.240 9.907 1.00 55.14 O ATOM 0 H SER A 78 3.422 -9.692 8.359 1.00 11.22 H new ATOM 0 HA SER A 78 0.970 -10.740 7.502 1.00 22.01 H new ATOM 0 HB2 SER A 78 1.860 -10.850 9.837 1.00 2.32 H new ATOM 0 HB3 SER A 78 1.621 -9.123 10.012 1.00 2.32 H new ATOM 0 HG SER A 78 -0.125 -10.654 10.795 1.00 55.14 H new ATOM 1231 N ASN A 79 1.048 -7.438 7.747 1.00 5.22 N ATOM 1232 CA ASN A 79 0.355 -6.209 7.345 1.00 11.11 C ATOM 1233 C ASN A 79 0.113 -6.173 5.825 1.00 4.53 C ATOM 1234 O ASN A 79 -1.000 -5.901 5.368 1.00 50.33 O ATOM 1235 CB ASN A 79 1.161 -4.981 7.776 1.00 25.40 C ATOM 1236 CG ASN A 79 1.366 -4.910 9.279 1.00 22.21 C ATOM 1237 OD1 ASN A 79 0.558 -5.409 10.053 1.00 75.02 O ATOM 1238 ND2 ASN A 79 2.444 -4.281 9.704 1.00 43.51 N ATOM 0 H ASN A 79 1.956 -7.284 8.185 1.00 5.22 H new ATOM 0 HA ASN A 79 -0.615 -6.195 7.842 1.00 11.11 H new ATOM 0 HB2 ASN A 79 2.132 -4.998 7.282 1.00 25.40 H new ATOM 0 HB3 ASN A 79 0.648 -4.079 7.441 1.00 25.40 H new ATOM 0 HD21 ASN A 79 2.625 -4.199 10.704 1.00 43.51 H new ATOM 0 HD22 ASN A 79 3.097 -3.877 9.032 1.00 43.51 H new ATOM 1245 N ILE A 80 1.159 -6.451 5.046 1.00 23.03 N ATOM 1246 CA ILE A 80 1.042 -6.489 3.581 1.00 5.43 C ATOM 1247 C ILE A 80 0.005 -7.536 3.137 1.00 14.45 C ATOM 1248 O ILE A 80 -0.892 -7.247 2.344 1.00 4.31 O ATOM 1249 CB ILE A 80 2.398 -6.814 2.903 1.00 10.51 C ATOM 1250 CG1 ILE A 80 3.484 -5.817 3.339 1.00 54.14 C ATOM 1251 CG2 ILE A 80 2.250 -6.808 1.380 1.00 12.33 C ATOM 1252 CD1 ILE A 80 4.847 -6.094 2.732 1.00 65.40 C ATOM 0 H ILE A 80 2.094 -6.653 5.399 1.00 23.03 H new ATOM 0 HA ILE A 80 0.720 -5.495 3.270 1.00 5.43 H new ATOM 0 HB ILE A 80 2.704 -7.811 3.220 1.00 10.51 H new ATOM 0 HG12 ILE A 80 3.172 -4.810 3.063 1.00 54.14 H new ATOM 0 HG13 ILE A 80 3.569 -5.838 4.425 1.00 54.14 H new ATOM 0 HG21 ILE A 80 3.211 -7.038 0.920 1.00 12.33 H new ATOM 0 HG22 ILE A 80 1.517 -7.558 1.083 1.00 12.33 H new ATOM 0 HG23 ILE A 80 1.916 -5.824 1.051 1.00 12.33 H new ATOM 0 HD11 ILE A 80 5.561 -5.350 3.086 1.00 65.40 H new ATOM 0 HD12 ILE A 80 5.182 -7.088 3.028 1.00 65.40 H new ATOM 0 HD13 ILE A 80 4.778 -6.043 1.645 1.00 65.40 H new ATOM 1264 N ARG A 81 0.135 -8.752 3.664 1.00 0.54 N ATOM 1265 CA ARG A 81 -0.783 -9.847 3.330 1.00 23.24 C ATOM 1266 C ARG A 81 -2.209 -9.561 3.826 1.00 34.15 C ATOM 1267 O ARG A 81 -3.182 -10.046 3.251 1.00 10.34 O ATOM 1268 CB ARG A 81 -0.257 -11.168 3.909 1.00 4.04 C ATOM 1269 CG ARG A 81 1.095 -11.578 3.332 1.00 45.43 C ATOM 1270 CD ARG A 81 1.650 -12.839 3.986 1.00 55.33 C ATOM 1271 NE ARG A 81 2.965 -13.188 3.451 1.00 72.11 N ATOM 1272 CZ ARG A 81 3.792 -14.030 4.010 1.00 31.31 C ATOM 1273 NH1 ARG A 81 3.444 -14.697 5.063 1.00 11.11 N ATOM 1274 NH2 ARG A 81 4.959 -14.225 3.486 1.00 2.24 N ATOM 0 H ARG A 81 0.868 -9.007 4.326 1.00 0.54 H new ATOM 0 HA ARG A 81 -0.830 -9.931 2.244 1.00 23.24 H new ATOM 0 HB2 ARG A 81 -0.170 -11.074 4.991 1.00 4.04 H new ATOM 0 HB3 ARG A 81 -0.983 -11.958 3.715 1.00 4.04 H new ATOM 0 HG2 ARG A 81 0.994 -11.743 2.259 1.00 45.43 H new ATOM 0 HG3 ARG A 81 1.805 -10.762 3.463 1.00 45.43 H new ATOM 0 HD2 ARG A 81 1.723 -12.689 5.063 1.00 55.33 H new ATOM 0 HD3 ARG A 81 0.960 -13.667 3.825 1.00 55.33 H new ATOM 0 HE ARG A 81 3.257 -12.743 2.581 1.00 72.11 H new ATOM 0 HH11 ARG A 81 2.515 -14.568 5.465 1.00 11.11 H new ATOM 0 HH12 ARG A 81 4.098 -15.352 5.491 1.00 11.11 H new ATOM 0 HH21 ARG A 81 5.229 -13.722 2.641 1.00 2.24 H new ATOM 0 HH22 ARG A 81 5.609 -14.881 3.918 1.00 2.24 H new ATOM 1288 N GLU A 82 -2.329 -8.766 4.888 1.00 34.14 N ATOM 1289 CA GLU A 82 -3.642 -8.332 5.380 1.00 54.02 C ATOM 1290 C GLU A 82 -4.286 -7.343 4.396 1.00 62.41 C ATOM 1291 O GLU A 82 -5.493 -7.376 4.158 1.00 61.34 O ATOM 1292 CB GLU A 82 -3.509 -7.693 6.770 1.00 32.11 C ATOM 1293 CG GLU A 82 -4.845 -7.350 7.425 1.00 72.11 C ATOM 1294 CD GLU A 82 -5.736 -8.567 7.617 1.00 44.44 C ATOM 1295 OE1 GLU A 82 -5.453 -9.375 8.524 1.00 34.32 O ATOM 1296 OE2 GLU A 82 -6.715 -8.729 6.859 1.00 2.42 O ATOM 0 H GLU A 82 -1.538 -8.409 5.425 1.00 34.14 H new ATOM 0 HA GLU A 82 -4.286 -9.208 5.461 1.00 54.02 H new ATOM 0 HB2 GLU A 82 -2.961 -8.374 7.421 1.00 32.11 H new ATOM 0 HB3 GLU A 82 -2.913 -6.784 6.686 1.00 32.11 H new ATOM 0 HG2 GLU A 82 -4.661 -6.884 8.393 1.00 72.11 H new ATOM 0 HG3 GLU A 82 -5.367 -6.616 6.812 1.00 72.11 H new ATOM 1303 N PHE A 83 -3.465 -6.463 3.823 1.00 23.23 N ATOM 1304 CA PHE A 83 -3.916 -5.563 2.754 1.00 52.25 C ATOM 1305 C PHE A 83 -4.378 -6.372 1.530 1.00 13.23 C ATOM 1306 O PHE A 83 -5.421 -6.091 0.935 1.00 3.35 O ATOM 1307 CB PHE A 83 -2.778 -4.601 2.368 1.00 53.14 C ATOM 1308 CG PHE A 83 -3.105 -3.672 1.222 1.00 13.43 C ATOM 1309 CD1 PHE A 83 -3.954 -2.589 1.407 1.00 42.13 C ATOM 1310 CD2 PHE A 83 -2.557 -3.880 -0.039 1.00 10.43 C ATOM 1311 CE1 PHE A 83 -4.249 -1.735 0.361 1.00 2.02 C ATOM 1312 CE2 PHE A 83 -2.850 -3.027 -1.086 1.00 3.43 C ATOM 1313 CZ PHE A 83 -3.696 -1.954 -0.887 1.00 32.32 C ATOM 0 H PHE A 83 -2.484 -6.352 4.079 1.00 23.23 H new ATOM 0 HA PHE A 83 -4.763 -4.980 3.115 1.00 52.25 H new ATOM 0 HB2 PHE A 83 -2.513 -4.003 3.240 1.00 53.14 H new ATOM 0 HB3 PHE A 83 -1.898 -5.187 2.104 1.00 53.14 H new ATOM 0 HD1 PHE A 83 -4.389 -2.412 2.380 1.00 42.13 H new ATOM 0 HD2 PHE A 83 -1.895 -4.718 -0.202 1.00 10.43 H new ATOM 0 HE1 PHE A 83 -4.911 -0.897 0.519 1.00 2.02 H new ATOM 0 HE2 PHE A 83 -2.417 -3.200 -2.060 1.00 3.43 H new ATOM 0 HZ PHE A 83 -3.925 -1.287 -1.705 1.00 32.32 H new ATOM 1323 N LEU A 84 -3.593 -7.388 1.175 1.00 1.04 N ATOM 1324 CA LEU A 84 -3.938 -8.301 0.080 1.00 32.43 C ATOM 1325 C LEU A 84 -5.241 -9.058 0.382 1.00 3.20 C ATOM 1326 O LEU A 84 -6.093 -9.226 -0.489 1.00 31.32 O ATOM 1327 CB LEU A 84 -2.795 -9.302 -0.143 1.00 23.10 C ATOM 1328 CG LEU A 84 -1.437 -8.676 -0.497 1.00 53.25 C ATOM 1329 CD1 LEU A 84 -0.348 -9.745 -0.578 1.00 71.20 C ATOM 1330 CD2 LEU A 84 -1.535 -7.896 -1.804 1.00 51.04 C ATOM 0 H LEU A 84 -2.707 -7.603 1.632 1.00 1.04 H new ATOM 0 HA LEU A 84 -4.087 -7.710 -0.824 1.00 32.43 H new ATOM 0 HB2 LEU A 84 -2.677 -9.901 0.760 1.00 23.10 H new ATOM 0 HB3 LEU A 84 -3.082 -9.985 -0.943 1.00 23.10 H new ATOM 0 HG LEU A 84 -1.162 -7.981 0.296 1.00 53.25 H new ATOM 0 HD11 LEU A 84 0.604 -9.277 -0.830 1.00 71.20 H new ATOM 0 HD12 LEU A 84 -0.261 -10.249 0.384 1.00 71.20 H new ATOM 0 HD13 LEU A 84 -0.609 -10.473 -1.346 1.00 71.20 H new ATOM 0 HD21 LEU A 84 -0.565 -7.459 -2.040 1.00 51.04 H new ATOM 0 HD22 LEU A 84 -1.836 -8.569 -2.607 1.00 51.04 H new ATOM 0 HD23 LEU A 84 -2.275 -7.102 -1.699 1.00 51.04 H new ATOM 1342 N ARG A 85 -5.376 -9.511 1.625 1.00 50.25 N ATOM 1343 CA ARG A 85 -6.576 -10.220 2.078 1.00 1.42 C ATOM 1344 C ARG A 85 -7.814 -9.311 2.035 1.00 23.14 C ATOM 1345 O ARG A 85 -8.829 -9.662 1.435 1.00 25.15 O ATOM 1346 CB ARG A 85 -6.343 -10.770 3.496 1.00 31.44 C ATOM 1347 CG ARG A 85 -7.579 -11.369 4.165 1.00 73.34 C ATOM 1348 CD ARG A 85 -7.202 -12.265 5.345 1.00 3.53 C ATOM 1349 NE ARG A 85 -6.227 -11.639 6.243 1.00 42.12 N ATOM 1350 CZ ARG A 85 -5.060 -12.159 6.538 1.00 33.23 C ATOM 1351 NH1 ARG A 85 -4.683 -13.278 6.003 1.00 60.33 N ATOM 1352 NH2 ARG A 85 -4.274 -11.556 7.370 1.00 50.20 N ATOM 0 H ARG A 85 -4.663 -9.400 2.346 1.00 50.25 H new ATOM 0 HA ARG A 85 -6.767 -11.052 1.400 1.00 1.42 H new ATOM 0 HB2 ARG A 85 -5.566 -11.534 3.451 1.00 31.44 H new ATOM 0 HB3 ARG A 85 -5.962 -9.965 4.124 1.00 31.44 H new ATOM 0 HG2 ARG A 85 -8.231 -10.567 4.510 1.00 73.34 H new ATOM 0 HG3 ARG A 85 -8.145 -11.947 3.434 1.00 73.34 H new ATOM 0 HD2 ARG A 85 -8.101 -12.514 5.909 1.00 3.53 H new ATOM 0 HD3 ARG A 85 -6.793 -13.202 4.968 1.00 3.53 H new ATOM 0 HE ARG A 85 -6.472 -10.743 6.665 1.00 42.12 H new ATOM 0 HH11 ARG A 85 -5.296 -13.761 5.347 1.00 60.33 H new ATOM 0 HH12 ARG A 85 -3.773 -13.675 6.238 1.00 60.33 H new ATOM 0 HH21 ARG A 85 -4.562 -10.676 7.797 1.00 50.20 H new ATOM 0 HH22 ARG A 85 -3.366 -11.961 7.599 1.00 50.20 H new ATOM 1366 N GLY A 86 -7.713 -8.141 2.658 1.00 1.24 N ATOM 1367 CA GLY A 86 -8.817 -7.188 2.660 1.00 3.33 C ATOM 1368 C GLY A 86 -9.257 -6.769 1.257 1.00 73.53 C ATOM 1369 O GLY A 86 -10.419 -6.956 0.878 1.00 61.51 O ATOM 0 H GLY A 86 -6.884 -7.832 3.165 1.00 1.24 H new ATOM 0 HA2 GLY A 86 -9.666 -7.627 3.183 1.00 3.33 H new ATOM 0 HA3 GLY A 86 -8.521 -6.301 3.220 1.00 3.33 H new ATOM 1373 N CYS A 87 -8.329 -6.209 0.482 1.00 65.41 N ATOM 1374 CA CYS A 87 -8.616 -5.805 -0.902 1.00 41.34 C ATOM 1375 C CYS A 87 -9.047 -7.007 -1.750 1.00 13.44 C ATOM 1376 O CYS A 87 -9.941 -6.900 -2.588 1.00 50.35 O ATOM 1377 CB CYS A 87 -7.385 -5.146 -1.538 1.00 13.10 C ATOM 1378 SG CYS A 87 -6.808 -3.668 -0.677 1.00 12.33 S ATOM 0 H CYS A 87 -7.373 -6.023 0.784 1.00 65.41 H new ATOM 0 HA CYS A 87 -9.434 -5.086 -0.872 1.00 41.34 H new ATOM 0 HB2 CYS A 87 -6.574 -5.873 -1.571 1.00 13.10 H new ATOM 0 HB3 CYS A 87 -7.620 -4.883 -2.570 1.00 13.10 H new ATOM 0 HG CYS A 87 -5.545 -3.486 -0.926 1.00 12.33 H new ATOM 1384 N GLY A 88 -8.404 -8.149 -1.517 1.00 44.22 N ATOM 1385 CA GLY A 88 -8.716 -9.367 -2.258 1.00 13.14 C ATOM 1386 C GLY A 88 -10.040 -10.015 -1.854 1.00 3.24 C ATOM 1387 O GLY A 88 -10.568 -10.851 -2.581 1.00 73.41 O ATOM 0 H GLY A 88 -7.665 -8.256 -0.822 1.00 44.22 H new ATOM 0 HA2 GLY A 88 -8.746 -9.135 -3.323 1.00 13.14 H new ATOM 0 HA3 GLY A 88 -7.911 -10.087 -2.111 1.00 13.14 H new ATOM 1391 N ALA A 89 -10.565 -9.650 -0.686 1.00 63.23 N ATOM 1392 CA ALA A 89 -11.864 -10.164 -0.227 1.00 34.43 C ATOM 1393 C ALA A 89 -13.024 -9.240 -0.638 1.00 11.55 C ATOM 1394 O ALA A 89 -14.029 -9.692 -1.190 1.00 31.13 O ATOM 1395 CB ALA A 89 -11.849 -10.349 1.288 1.00 11.25 C ATOM 0 H ALA A 89 -10.116 -9.002 -0.038 1.00 63.23 H new ATOM 0 HA ALA A 89 -12.026 -11.129 -0.708 1.00 34.43 H new ATOM 0 HB1 ALA A 89 -12.816 -10.730 1.618 1.00 11.25 H new ATOM 0 HB2 ALA A 89 -11.067 -11.058 1.560 1.00 11.25 H new ATOM 0 HB3 ALA A 89 -11.653 -9.391 1.770 1.00 11.25 H new ATOM 1401 N SER A 90 -12.874 -7.947 -0.364 1.00 54.41 N ATOM 1402 CA SER A 90 -13.924 -6.957 -0.657 1.00 53.14 C ATOM 1403 C SER A 90 -13.982 -6.608 -2.153 1.00 23.13 C ATOM 1404 O SER A 90 -15.043 -6.668 -2.775 1.00 14.11 O ATOM 1405 CB SER A 90 -13.689 -5.682 0.168 1.00 25.54 C ATOM 1406 OG SER A 90 -14.725 -4.732 -0.018 1.00 71.25 O ATOM 0 H SER A 90 -12.035 -7.553 0.062 1.00 54.41 H new ATOM 0 HA SER A 90 -14.881 -7.401 -0.383 1.00 53.14 H new ATOM 0 HB2 SER A 90 -13.620 -5.941 1.224 1.00 25.54 H new ATOM 0 HB3 SER A 90 -12.735 -5.238 -0.114 1.00 25.54 H new ATOM 0 HG SER A 90 -14.940 -4.310 0.840 1.00 71.25 H new ATOM 1412 N LEU A 91 -12.831 -6.254 -2.729 1.00 45.25 N ATOM 1413 CA LEU A 91 -12.757 -5.828 -4.137 1.00 51.15 C ATOM 1414 C LEU A 91 -12.329 -6.969 -5.077 1.00 1.20 C ATOM 1415 O LEU A 91 -12.780 -7.038 -6.221 1.00 3.21 O ATOM 1416 CB LEU A 91 -11.783 -4.645 -4.267 1.00 42.12 C ATOM 1417 CG LEU A 91 -12.351 -3.277 -3.843 1.00 43.12 C ATOM 1418 CD1 LEU A 91 -11.229 -2.275 -3.583 1.00 74.25 C ATOM 1419 CD2 LEU A 91 -13.300 -2.745 -4.917 1.00 64.15 C ATOM 0 H LEU A 91 -11.933 -6.252 -2.245 1.00 45.25 H new ATOM 0 HA LEU A 91 -13.759 -5.524 -4.440 1.00 51.15 H new ATOM 0 HB2 LEU A 91 -10.899 -4.855 -3.665 1.00 42.12 H new ATOM 0 HB3 LEU A 91 -11.454 -4.578 -5.304 1.00 42.12 H new ATOM 0 HG LEU A 91 -12.906 -3.411 -2.915 1.00 43.12 H new ATOM 0 HD11 LEU A 91 -11.658 -1.318 -3.285 1.00 74.25 H new ATOM 0 HD12 LEU A 91 -10.586 -2.648 -2.786 1.00 74.25 H new ATOM 0 HD13 LEU A 91 -10.642 -2.143 -4.492 1.00 74.25 H new ATOM 0 HD21 LEU A 91 -13.695 -1.778 -4.607 1.00 64.15 H new ATOM 0 HD22 LEU A 91 -12.759 -2.631 -5.856 1.00 64.15 H new ATOM 0 HD23 LEU A 91 -14.123 -3.446 -5.055 1.00 64.15 H new ATOM 1431 N ARG A 92 -11.462 -7.860 -4.588 1.00 15.22 N ATOM 1432 CA ARG A 92 -10.907 -8.956 -5.403 1.00 11.01 C ATOM 1433 C ARG A 92 -10.147 -8.414 -6.624 1.00 40.11 C ATOM 1434 O ARG A 92 -10.122 -9.031 -7.691 1.00 13.12 O ATOM 1435 CB ARG A 92 -12.022 -9.915 -5.841 1.00 42.41 C ATOM 1436 CG ARG A 92 -12.799 -10.512 -4.673 1.00 11.12 C ATOM 1437 CD ARG A 92 -13.826 -11.530 -5.141 1.00 74.25 C ATOM 1438 NE ARG A 92 -13.208 -12.629 -5.871 1.00 23.11 N ATOM 1439 CZ ARG A 92 -13.595 -13.868 -5.795 1.00 63.34 C ATOM 1440 NH1 ARG A 92 -14.573 -14.210 -5.012 1.00 45.30 N ATOM 1441 NH2 ARG A 92 -12.997 -14.768 -6.498 1.00 24.52 N ATOM 0 H ARG A 92 -11.124 -7.847 -3.626 1.00 15.22 H new ATOM 0 HA ARG A 92 -10.196 -9.507 -4.787 1.00 11.01 H new ATOM 0 HB2 ARG A 92 -12.714 -9.383 -6.494 1.00 42.41 H new ATOM 0 HB3 ARG A 92 -11.586 -10.723 -6.429 1.00 42.41 H new ATOM 0 HG2 ARG A 92 -12.105 -10.988 -3.980 1.00 11.12 H new ATOM 0 HG3 ARG A 92 -13.301 -9.715 -4.125 1.00 11.12 H new ATOM 0 HD2 ARG A 92 -14.365 -11.924 -4.280 1.00 74.25 H new ATOM 0 HD3 ARG A 92 -14.560 -11.038 -5.779 1.00 74.25 H new ATOM 0 HE ARG A 92 -12.420 -12.412 -6.482 1.00 23.11 H new ATOM 0 HH11 ARG A 92 -15.046 -13.504 -4.449 1.00 45.30 H new ATOM 0 HH12 ARG A 92 -14.868 -15.185 -4.961 1.00 45.30 H new ATOM 0 HH21 ARG A 92 -12.224 -14.507 -7.110 1.00 24.52 H new ATOM 0 HH22 ARG A 92 -13.297 -15.741 -6.442 1.00 24.52 H new ATOM 1455 N LEU A 93 -9.507 -7.265 -6.437 1.00 5.10 N ATOM 1456 CA LEU A 93 -8.772 -6.586 -7.509 1.00 73.13 C ATOM 1457 C LEU A 93 -7.398 -7.229 -7.778 1.00 63.22 C ATOM 1458 O LEU A 93 -7.051 -8.261 -7.199 1.00 1.21 O ATOM 1459 CB LEU A 93 -8.620 -5.093 -7.152 1.00 40.45 C ATOM 1460 CG LEU A 93 -8.071 -4.781 -5.738 1.00 40.45 C ATOM 1461 CD1 LEU A 93 -6.577 -5.080 -5.627 1.00 31.32 C ATOM 1462 CD2 LEU A 93 -8.353 -3.331 -5.363 1.00 11.13 C ATOM 0 H LEU A 93 -9.480 -6.776 -5.542 1.00 5.10 H new ATOM 0 HA LEU A 93 -9.344 -6.688 -8.431 1.00 73.13 H new ATOM 0 HB2 LEU A 93 -7.960 -4.631 -7.886 1.00 40.45 H new ATOM 0 HB3 LEU A 93 -9.594 -4.615 -7.254 1.00 40.45 H new ATOM 0 HG LEU A 93 -8.589 -5.435 -5.036 1.00 40.45 H new ATOM 0 HD11 LEU A 93 -6.233 -4.847 -4.619 1.00 31.32 H new ATOM 0 HD12 LEU A 93 -6.401 -6.135 -5.836 1.00 31.32 H new ATOM 0 HD13 LEU A 93 -6.030 -4.471 -6.347 1.00 31.32 H new ATOM 0 HD21 LEU A 93 -7.960 -3.130 -4.366 1.00 11.13 H new ATOM 0 HD22 LEU A 93 -7.872 -2.669 -6.083 1.00 11.13 H new ATOM 0 HD23 LEU A 93 -9.429 -3.156 -5.371 1.00 11.13 H new ATOM 1474 N GLU A 94 -6.623 -6.606 -8.664 1.00 71.51 N ATOM 1475 CA GLU A 94 -5.266 -7.063 -8.974 1.00 63.12 C ATOM 1476 C GLU A 94 -4.356 -7.013 -7.737 1.00 13.34 C ATOM 1477 O GLU A 94 -3.844 -5.955 -7.378 1.00 13.02 O ATOM 1478 CB GLU A 94 -4.668 -6.198 -10.091 1.00 11.32 C ATOM 1479 CG GLU A 94 -5.432 -6.277 -11.408 1.00 42.52 C ATOM 1480 CD GLU A 94 -5.397 -7.666 -12.022 1.00 12.30 C ATOM 1481 OE1 GLU A 94 -4.425 -7.974 -12.742 1.00 12.43 O ATOM 1482 OE2 GLU A 94 -6.332 -8.457 -11.784 1.00 42.42 O ATOM 0 H GLU A 94 -6.913 -5.778 -9.184 1.00 71.51 H new ATOM 0 HA GLU A 94 -5.330 -8.100 -9.303 1.00 63.12 H new ATOM 0 HB2 GLU A 94 -4.642 -5.160 -9.759 1.00 11.32 H new ATOM 0 HB3 GLU A 94 -3.636 -6.504 -10.262 1.00 11.32 H new ATOM 0 HG2 GLU A 94 -6.468 -5.984 -11.241 1.00 42.52 H new ATOM 0 HG3 GLU A 94 -5.008 -5.562 -12.113 1.00 42.52 H new ATOM 1489 N THR A 95 -4.178 -8.154 -7.080 1.00 63.15 N ATOM 1490 CA THR A 95 -3.318 -8.240 -5.891 1.00 71.22 C ATOM 1491 C THR A 95 -1.847 -8.480 -6.268 1.00 54.22 C ATOM 1492 O THR A 95 -1.525 -8.775 -7.423 1.00 71.50 O ATOM 1493 CB THR A 95 -3.787 -9.364 -4.929 1.00 3.22 C ATOM 1494 OG1 THR A 95 -3.816 -10.626 -5.613 1.00 31.31 O ATOM 1495 CG2 THR A 95 -5.171 -9.059 -4.363 1.00 0.41 C ATOM 0 H THR A 95 -4.615 -9.036 -7.346 1.00 63.15 H new ATOM 0 HA THR A 95 -3.399 -7.279 -5.383 1.00 71.22 H new ATOM 0 HB THR A 95 -3.076 -9.415 -4.104 1.00 3.22 H new ATOM 0 HG1 THR A 95 -4.112 -11.326 -4.995 1.00 31.31 H new ATOM 0 HG21 THR A 95 -5.475 -9.863 -3.692 1.00 0.41 H new ATOM 0 HG22 THR A 95 -5.140 -8.119 -3.812 1.00 0.41 H new ATOM 0 HG23 THR A 95 -5.888 -8.977 -5.180 1.00 0.41 H new ATOM 1503 N PHE A 96 -0.956 -8.347 -5.288 1.00 24.31 N ATOM 1504 CA PHE A 96 0.486 -8.537 -5.508 1.00 5.34 C ATOM 1505 C PHE A 96 1.099 -9.456 -4.440 1.00 2.34 C ATOM 1506 O PHE A 96 0.407 -9.928 -3.539 1.00 4.55 O ATOM 1507 CB PHE A 96 1.208 -7.179 -5.522 1.00 10.23 C ATOM 1508 CG PHE A 96 1.073 -6.390 -4.237 1.00 44.14 C ATOM 1509 CD1 PHE A 96 0.024 -5.499 -4.058 1.00 75.12 C ATOM 1510 CD2 PHE A 96 1.999 -6.536 -3.212 1.00 34.35 C ATOM 1511 CE1 PHE A 96 -0.097 -4.771 -2.890 1.00 3.12 C ATOM 1512 CE2 PHE A 96 1.880 -5.810 -2.043 1.00 22.41 C ATOM 1513 CZ PHE A 96 0.831 -4.929 -1.881 1.00 34.22 C ATOM 0 H PHE A 96 -1.203 -8.107 -4.328 1.00 24.31 H new ATOM 0 HA PHE A 96 0.616 -9.017 -6.478 1.00 5.34 H new ATOM 0 HB2 PHE A 96 2.266 -7.345 -5.723 1.00 10.23 H new ATOM 0 HB3 PHE A 96 0.817 -6.581 -6.345 1.00 10.23 H new ATOM 0 HD1 PHE A 96 -0.708 -5.373 -4.842 1.00 75.12 H new ATOM 0 HD2 PHE A 96 2.822 -7.225 -3.331 1.00 34.35 H new ATOM 0 HE1 PHE A 96 -0.917 -4.079 -2.767 1.00 3.12 H new ATOM 0 HE2 PHE A 96 2.609 -5.932 -1.255 1.00 22.41 H new ATOM 0 HZ PHE A 96 0.736 -4.364 -0.966 1.00 34.22 H new ATOM 1523 N ASP A 97 2.400 -9.709 -4.552 1.00 21.45 N ATOM 1524 CA ASP A 97 3.110 -10.573 -3.606 1.00 51.41 C ATOM 1525 C ASP A 97 3.781 -9.754 -2.487 1.00 3.03 C ATOM 1526 O ASP A 97 4.406 -8.723 -2.746 1.00 51.34 O ATOM 1527 CB ASP A 97 4.161 -11.392 -4.355 1.00 43.13 C ATOM 1528 CG ASP A 97 3.566 -12.151 -5.526 1.00 15.41 C ATOM 1529 OD1 ASP A 97 3.427 -11.554 -6.618 1.00 13.45 O ATOM 1530 OD2 ASP A 97 3.235 -13.345 -5.360 1.00 45.32 O ATOM 0 H ASP A 97 2.989 -9.327 -5.292 1.00 21.45 H new ATOM 0 HA ASP A 97 2.384 -11.239 -3.140 1.00 51.41 H new ATOM 0 HB2 ASP A 97 4.947 -10.729 -4.716 1.00 43.13 H new ATOM 0 HB3 ASP A 97 4.629 -12.096 -3.667 1.00 43.13 H new ATOM 1535 N ALA A 98 3.659 -10.226 -1.245 1.00 31.24 N ATOM 1536 CA ALA A 98 4.236 -9.527 -0.086 1.00 31.25 C ATOM 1537 C ALA A 98 5.766 -9.425 -0.174 1.00 14.52 C ATOM 1538 O ALA A 98 6.340 -8.351 0.016 1.00 31.34 O ATOM 1539 CB ALA A 98 3.830 -10.225 1.206 1.00 24.34 C ATOM 0 H ALA A 98 3.167 -11.088 -1.012 1.00 31.24 H new ATOM 0 HA ALA A 98 3.841 -8.511 -0.089 1.00 31.25 H new ATOM 0 HB1 ALA A 98 4.263 -9.698 2.056 1.00 24.34 H new ATOM 0 HB2 ALA A 98 2.744 -10.224 1.294 1.00 24.34 H new ATOM 0 HB3 ALA A 98 4.192 -11.253 1.193 1.00 24.34 H new ATOM 1545 N ASN A 99 6.419 -10.548 -0.460 1.00 73.04 N ATOM 1546 CA ASN A 99 7.883 -10.596 -0.565 1.00 2.14 C ATOM 1547 C ASN A 99 8.412 -9.624 -1.634 1.00 10.24 C ATOM 1548 O ASN A 99 9.463 -9.008 -1.461 1.00 35.43 O ATOM 1549 CB ASN A 99 8.339 -12.023 -0.887 1.00 2.04 C ATOM 1550 CG ASN A 99 7.895 -13.036 0.159 1.00 54.05 C ATOM 1551 OD1 ASN A 99 6.863 -12.875 0.804 1.00 42.25 O ATOM 1552 ND2 ASN A 99 8.668 -14.084 0.339 1.00 51.51 N ATOM 0 H ASN A 99 5.959 -11.443 -0.625 1.00 73.04 H new ATOM 0 HA ASN A 99 8.293 -10.288 0.397 1.00 2.14 H new ATOM 0 HB2 ASN A 99 7.943 -12.315 -1.860 1.00 2.04 H new ATOM 0 HB3 ASN A 99 9.426 -12.043 -0.966 1.00 2.04 H new ATOM 0 HD21 ASN A 99 8.416 -14.791 1.030 1.00 51.51 H new ATOM 0 HD22 ASN A 99 9.520 -14.190 -0.212 1.00 51.51 H new ATOM 1559 N ASP A 100 7.675 -9.490 -2.736 1.00 22.32 N ATOM 1560 CA ASP A 100 8.045 -8.575 -3.823 1.00 4.10 C ATOM 1561 C ASP A 100 8.109 -7.113 -3.353 1.00 14.44 C ATOM 1562 O ASP A 100 8.964 -6.349 -3.797 1.00 0.41 O ATOM 1563 CB ASP A 100 7.063 -8.724 -4.986 1.00 14.10 C ATOM 1564 CG ASP A 100 7.258 -10.041 -5.718 1.00 25.40 C ATOM 1565 OD1 ASP A 100 7.187 -11.106 -5.074 1.00 13.15 O ATOM 1566 OD2 ASP A 100 7.505 -10.014 -6.938 1.00 43.42 O ATOM 0 H ASP A 100 6.811 -10.006 -2.903 1.00 22.32 H new ATOM 0 HA ASP A 100 9.046 -8.846 -4.159 1.00 4.10 H new ATOM 0 HB2 ASP A 100 6.042 -8.664 -4.610 1.00 14.10 H new ATOM 0 HB3 ASP A 100 7.196 -7.897 -5.683 1.00 14.10 H new ATOM 1571 N LEU A 101 7.208 -6.731 -2.453 1.00 41.35 N ATOM 1572 CA LEU A 101 7.210 -5.378 -1.883 1.00 13.50 C ATOM 1573 C LEU A 101 8.238 -5.255 -0.745 1.00 63.14 C ATOM 1574 O LEU A 101 9.033 -4.314 -0.707 1.00 21.31 O ATOM 1575 CB LEU A 101 5.807 -5.019 -1.367 1.00 63.24 C ATOM 1576 CG LEU A 101 5.681 -3.644 -0.689 1.00 42.54 C ATOM 1577 CD1 LEU A 101 6.122 -2.528 -1.631 1.00 3.31 C ATOM 1578 CD2 LEU A 101 4.250 -3.416 -0.211 1.00 54.20 C ATOM 0 H LEU A 101 6.466 -7.335 -2.100 1.00 41.35 H new ATOM 0 HA LEU A 101 7.492 -4.680 -2.671 1.00 13.50 H new ATOM 0 HB2 LEU A 101 5.111 -5.056 -2.205 1.00 63.24 H new ATOM 0 HB3 LEU A 101 5.493 -5.784 -0.657 1.00 63.24 H new ATOM 0 HG LEU A 101 6.341 -3.629 0.178 1.00 42.54 H new ATOM 0 HD11 LEU A 101 6.023 -1.566 -1.127 1.00 3.31 H new ATOM 0 HD12 LEU A 101 7.162 -2.683 -1.917 1.00 3.31 H new ATOM 0 HD13 LEU A 101 5.496 -2.536 -2.523 1.00 3.31 H new ATOM 0 HD21 LEU A 101 4.177 -2.439 0.267 1.00 54.20 H new ATOM 0 HD22 LEU A 101 3.571 -3.455 -1.063 1.00 54.20 H new ATOM 0 HD23 LEU A 101 3.978 -4.191 0.505 1.00 54.20 H new ATOM 1590 N TYR A 102 8.228 -6.227 0.164 1.00 15.11 N ATOM 1591 CA TYR A 102 9.100 -6.212 1.346 1.00 4.44 C ATOM 1592 C TYR A 102 10.591 -6.326 0.973 1.00 43.12 C ATOM 1593 O TYR A 102 11.455 -5.790 1.664 1.00 62.33 O ATOM 1594 CB TYR A 102 8.700 -7.351 2.298 1.00 65.41 C ATOM 1595 CG TYR A 102 9.496 -7.385 3.590 1.00 32.22 C ATOM 1596 CD1 TYR A 102 9.363 -6.374 4.534 1.00 1.43 C ATOM 1597 CD2 TYR A 102 10.373 -8.429 3.867 1.00 72.33 C ATOM 1598 CE1 TYR A 102 10.083 -6.398 5.713 1.00 54.00 C ATOM 1599 CE2 TYR A 102 11.096 -8.460 5.044 1.00 43.21 C ATOM 1600 CZ TYR A 102 10.947 -7.444 5.966 1.00 72.14 C ATOM 1601 OH TYR A 102 11.665 -7.473 7.143 1.00 52.30 O ATOM 0 H TYR A 102 7.621 -7.045 0.107 1.00 15.11 H new ATOM 0 HA TYR A 102 8.968 -5.251 1.844 1.00 4.44 H new ATOM 0 HB2 TYR A 102 7.641 -7.255 2.538 1.00 65.41 H new ATOM 0 HB3 TYR A 102 8.824 -8.303 1.782 1.00 65.41 H new ATOM 0 HD1 TYR A 102 8.685 -5.555 4.343 1.00 1.43 H new ATOM 0 HD2 TYR A 102 10.491 -9.228 3.150 1.00 72.33 H new ATOM 0 HE1 TYR A 102 9.970 -5.602 6.434 1.00 54.00 H new ATOM 0 HE2 TYR A 102 11.775 -9.276 5.242 1.00 43.21 H new ATOM 0 HH TYR A 102 12.225 -8.277 7.165 1.00 52.30 H new ATOM 1611 N GLN A 103 10.887 -7.037 -0.113 1.00 35.32 N ATOM 1612 CA GLN A 103 12.274 -7.200 -0.585 1.00 72.32 C ATOM 1613 C GLN A 103 12.536 -6.408 -1.876 1.00 44.33 C ATOM 1614 O GLN A 103 13.593 -6.553 -2.498 1.00 73.43 O ATOM 1615 CB GLN A 103 12.582 -8.687 -0.811 1.00 2.31 C ATOM 1616 CG GLN A 103 12.541 -9.526 0.464 1.00 5.13 C ATOM 1617 CD GLN A 103 13.628 -9.142 1.457 1.00 31.04 C ATOM 1618 OE1 GLN A 103 14.730 -9.678 1.428 1.00 50.14 O ATOM 1619 NE2 GLN A 103 13.332 -8.206 2.336 1.00 45.35 N ATOM 0 H GLN A 103 10.190 -7.512 -0.687 1.00 35.32 H new ATOM 0 HA GLN A 103 12.933 -6.803 0.187 1.00 72.32 H new ATOM 0 HB2 GLN A 103 11.865 -9.092 -1.525 1.00 2.31 H new ATOM 0 HB3 GLN A 103 13.569 -8.779 -1.264 1.00 2.31 H new ATOM 0 HG2 GLN A 103 11.566 -9.412 0.937 1.00 5.13 H new ATOM 0 HG3 GLN A 103 12.648 -10.579 0.204 1.00 5.13 H new ATOM 0 HE21 GLN A 103 12.406 -7.779 2.334 1.00 45.35 H new ATOM 0 HE22 GLN A 103 14.029 -7.908 3.018 1.00 45.35 H new ATOM 1628 N GLY A 104 11.573 -5.576 -2.274 1.00 14.15 N ATOM 1629 CA GLY A 104 11.712 -4.764 -3.483 1.00 33.22 C ATOM 1630 C GLY A 104 12.040 -5.572 -4.740 1.00 41.41 C ATOM 1631 O GLY A 104 12.861 -5.154 -5.556 1.00 65.24 O ATOM 0 H GLY A 104 10.691 -5.447 -1.778 1.00 14.15 H new ATOM 0 HA2 GLY A 104 10.785 -4.215 -3.648 1.00 33.22 H new ATOM 0 HA3 GLY A 104 12.497 -4.025 -3.324 1.00 33.22 H new ATOM 1635 N GLN A 105 11.399 -6.728 -4.896 1.00 51.44 N ATOM 1636 CA GLN A 105 11.626 -7.594 -6.062 1.00 44.00 C ATOM 1637 C GLN A 105 10.911 -7.043 -7.304 1.00 63.34 C ATOM 1638 O GLN A 105 11.546 -6.515 -8.217 1.00 50.31 O ATOM 1639 CB GLN A 105 11.149 -9.026 -5.765 1.00 64.04 C ATOM 1640 CG GLN A 105 11.795 -9.658 -4.534 1.00 24.13 C ATOM 1641 CD GLN A 105 13.288 -9.904 -4.689 1.00 45.04 C ATOM 1642 OE1 GLN A 105 13.988 -9.199 -5.409 1.00 11.14 O ATOM 1643 NE2 GLN A 105 13.790 -10.906 -4.006 1.00 1.34 N ATOM 0 H GLN A 105 10.716 -7.092 -4.231 1.00 51.44 H new ATOM 0 HA GLN A 105 12.697 -7.614 -6.266 1.00 44.00 H new ATOM 0 HB2 GLN A 105 10.068 -9.016 -5.629 1.00 64.04 H new ATOM 0 HB3 GLN A 105 11.356 -9.653 -6.632 1.00 64.04 H new ATOM 0 HG2 GLN A 105 11.629 -9.010 -3.674 1.00 24.13 H new ATOM 0 HG3 GLN A 105 11.299 -10.605 -4.320 1.00 24.13 H new ATOM 0 HE21 GLN A 105 13.184 -11.475 -3.415 1.00 1.34 H new ATOM 0 HE22 GLN A 105 14.786 -11.116 -4.066 1.00 1.34 H new ATOM 1652 N ASN A 106 9.586 -7.162 -7.333 1.00 1.42 N ATOM 1653 CA ASN A 106 8.783 -6.607 -8.425 1.00 13.22 C ATOM 1654 C ASN A 106 7.779 -5.578 -7.895 1.00 13.21 C ATOM 1655 O ASN A 106 6.629 -5.907 -7.588 1.00 21.12 O ATOM 1656 CB ASN A 106 8.046 -7.719 -9.175 1.00 44.42 C ATOM 1657 CG ASN A 106 8.989 -8.693 -9.852 1.00 43.12 C ATOM 1658 OD1 ASN A 106 9.413 -8.482 -10.985 1.00 32.25 O ATOM 1659 ND2 ASN A 106 9.300 -9.779 -9.180 1.00 73.24 N ATOM 0 H ASN A 106 9.043 -7.638 -6.613 1.00 1.42 H new ATOM 0 HA ASN A 106 9.461 -6.107 -9.117 1.00 13.22 H new ATOM 0 HB2 ASN A 106 7.409 -8.262 -8.477 1.00 44.42 H new ATOM 0 HB3 ASN A 106 7.391 -7.274 -9.924 1.00 44.42 H new ATOM 0 HD21 ASN A 106 9.912 -10.480 -9.598 1.00 73.24 H new ATOM 0 HD22 ASN A 106 8.929 -9.921 -8.240 1.00 73.24 H new ATOM 1666 N PHE A 107 8.226 -4.331 -7.772 1.00 70.44 N ATOM 1667 CA PHE A 107 7.368 -3.249 -7.291 1.00 1.41 C ATOM 1668 C PHE A 107 6.309 -2.884 -8.341 1.00 45.12 C ATOM 1669 O PHE A 107 5.220 -2.427 -8.002 1.00 75.10 O ATOM 1670 CB PHE A 107 8.209 -2.014 -6.930 1.00 31.45 C ATOM 1671 CG PHE A 107 7.381 -0.840 -6.475 1.00 5.22 C ATOM 1672 CD1 PHE A 107 6.834 -0.811 -5.199 1.00 64.42 C ATOM 1673 CD2 PHE A 107 7.136 0.230 -7.327 1.00 21.32 C ATOM 1674 CE1 PHE A 107 6.062 0.257 -4.786 1.00 71.54 C ATOM 1675 CE2 PHE A 107 6.367 1.301 -6.917 1.00 25.00 C ATOM 1676 CZ PHE A 107 5.828 1.312 -5.646 1.00 41.13 C ATOM 0 H PHE A 107 9.178 -4.043 -7.999 1.00 70.44 H new ATOM 0 HA PHE A 107 6.856 -3.596 -6.394 1.00 1.41 H new ATOM 0 HB2 PHE A 107 8.913 -2.280 -6.141 1.00 31.45 H new ATOM 0 HB3 PHE A 107 8.799 -1.719 -7.798 1.00 31.45 H new ATOM 0 HD1 PHE A 107 7.014 -1.633 -4.522 1.00 64.42 H new ATOM 0 HD2 PHE A 107 7.553 0.224 -8.323 1.00 21.32 H new ATOM 0 HE1 PHE A 107 5.642 0.267 -3.791 1.00 71.54 H new ATOM 0 HE2 PHE A 107 6.188 2.128 -7.589 1.00 25.00 H new ATOM 0 HZ PHE A 107 5.223 2.146 -5.324 1.00 41.13 H new ATOM 1686 N ASN A 108 6.638 -3.094 -9.614 1.00 43.00 N ATOM 1687 CA ASN A 108 5.704 -2.829 -10.718 1.00 32.13 C ATOM 1688 C ASN A 108 4.336 -3.511 -10.502 1.00 31.35 C ATOM 1689 O ASN A 108 3.296 -2.945 -10.844 1.00 51.34 O ATOM 1690 CB ASN A 108 6.333 -3.256 -12.054 1.00 3.35 C ATOM 1691 CG ASN A 108 6.922 -4.658 -12.022 1.00 61.23 C ATOM 1692 OD1 ASN A 108 6.428 -5.543 -11.331 1.00 11.31 O ATOM 1693 ND2 ASN A 108 7.992 -4.866 -12.758 1.00 32.32 N ATOM 0 H ASN A 108 7.547 -3.448 -9.912 1.00 43.00 H new ATOM 0 HA ASN A 108 5.515 -1.756 -10.744 1.00 32.13 H new ATOM 0 HB2 ASN A 108 5.576 -3.206 -12.836 1.00 3.35 H new ATOM 0 HB3 ASN A 108 7.116 -2.547 -12.322 1.00 3.35 H new ATOM 0 HD21 ASN A 108 8.435 -5.785 -12.765 1.00 32.32 H new ATOM 0 HD22 ASN A 108 8.378 -4.109 -13.322 1.00 32.32 H new ATOM 1700 N LYS A 109 4.340 -4.718 -9.927 1.00 15.11 N ATOM 1701 CA LYS A 109 3.088 -5.417 -9.591 1.00 53.21 C ATOM 1702 C LYS A 109 2.347 -4.706 -8.447 1.00 43.10 C ATOM 1703 O LYS A 109 1.120 -4.608 -8.448 1.00 2.13 O ATOM 1704 CB LYS A 109 3.366 -6.878 -9.200 1.00 34.23 C ATOM 1705 CG LYS A 109 3.941 -7.724 -10.332 1.00 12.51 C ATOM 1706 CD LYS A 109 4.067 -9.200 -9.943 1.00 64.32 C ATOM 1707 CE LYS A 109 4.999 -9.404 -8.754 1.00 3.12 C ATOM 1708 NZ LYS A 109 5.272 -10.843 -8.496 1.00 11.01 N ATOM 0 H LYS A 109 5.188 -5.231 -9.685 1.00 15.11 H new ATOM 0 HA LYS A 109 2.456 -5.402 -10.479 1.00 53.21 H new ATOM 0 HB2 LYS A 109 4.061 -6.893 -8.360 1.00 34.23 H new ATOM 0 HB3 LYS A 109 2.438 -7.334 -8.854 1.00 34.23 H new ATOM 0 HG2 LYS A 109 3.302 -7.635 -11.211 1.00 12.51 H new ATOM 0 HG3 LYS A 109 4.922 -7.338 -10.610 1.00 12.51 H new ATOM 0 HD2 LYS A 109 3.081 -9.596 -9.702 1.00 64.32 H new ATOM 0 HD3 LYS A 109 4.439 -9.768 -10.796 1.00 64.32 H new ATOM 0 HE2 LYS A 109 5.939 -8.885 -8.938 1.00 3.12 H new ATOM 0 HE3 LYS A 109 4.556 -8.955 -7.865 1.00 3.12 H new ATOM 0 HZ1 LYS A 109 6.080 -10.932 -7.847 1.00 11.01 H new ATOM 0 HZ2 LYS A 109 4.433 -11.284 -8.067 1.00 11.01 H new ATOM 0 HZ3 LYS A 109 5.494 -11.320 -9.393 1.00 11.01 H new ATOM 1722 N VAL A 110 3.108 -4.215 -7.471 1.00 32.15 N ATOM 1723 CA VAL A 110 2.541 -3.474 -6.339 1.00 13.22 C ATOM 1724 C VAL A 110 1.924 -2.149 -6.808 1.00 61.13 C ATOM 1725 O VAL A 110 0.814 -1.787 -6.417 1.00 12.11 O ATOM 1726 CB VAL A 110 3.621 -3.176 -5.265 1.00 34.31 C ATOM 1727 CG1 VAL A 110 3.007 -2.494 -4.041 1.00 62.11 C ATOM 1728 CG2 VAL A 110 4.360 -4.454 -4.870 1.00 21.30 C ATOM 0 H VAL A 110 4.122 -4.316 -7.439 1.00 32.15 H new ATOM 0 HA VAL A 110 1.765 -4.101 -5.900 1.00 13.22 H new ATOM 0 HB VAL A 110 4.346 -2.487 -5.698 1.00 34.31 H new ATOM 0 HG11 VAL A 110 3.786 -2.297 -3.305 1.00 62.11 H new ATOM 0 HG12 VAL A 110 2.546 -1.553 -4.342 1.00 62.11 H new ATOM 0 HG13 VAL A 110 2.251 -3.145 -3.603 1.00 62.11 H new ATOM 0 HG21 VAL A 110 5.112 -4.221 -4.116 1.00 21.30 H new ATOM 0 HG22 VAL A 110 3.650 -5.174 -4.464 1.00 21.30 H new ATOM 0 HG23 VAL A 110 4.846 -4.880 -5.748 1.00 21.30 H new ATOM 1738 N LEU A 111 2.655 -1.439 -7.662 1.00 22.23 N ATOM 1739 CA LEU A 111 2.216 -0.148 -8.188 1.00 63.32 C ATOM 1740 C LEU A 111 0.921 -0.283 -9.006 1.00 55.05 C ATOM 1741 O LEU A 111 -0.037 0.459 -8.792 1.00 52.54 O ATOM 1742 CB LEU A 111 3.326 0.468 -9.050 1.00 21.30 C ATOM 1743 CG LEU A 111 3.054 1.892 -9.559 1.00 3.44 C ATOM 1744 CD1 LEU A 111 2.827 2.847 -8.388 1.00 50.33 C ATOM 1745 CD2 LEU A 111 4.204 2.374 -10.441 1.00 75.21 C ATOM 0 H LEU A 111 3.566 -1.740 -8.009 1.00 22.23 H new ATOM 0 HA LEU A 111 2.007 0.508 -7.343 1.00 63.32 H new ATOM 0 HB2 LEU A 111 4.249 0.478 -8.470 1.00 21.30 H new ATOM 0 HB3 LEU A 111 3.497 -0.180 -9.910 1.00 21.30 H new ATOM 0 HG LEU A 111 2.147 1.876 -10.163 1.00 3.44 H new ATOM 0 HD11 LEU A 111 2.636 3.850 -8.769 1.00 50.33 H new ATOM 0 HD12 LEU A 111 1.970 2.511 -7.805 1.00 50.33 H new ATOM 0 HD13 LEU A 111 3.713 2.862 -7.754 1.00 50.33 H new ATOM 0 HD21 LEU A 111 3.994 3.384 -10.793 1.00 75.21 H new ATOM 0 HD22 LEU A 111 5.129 2.375 -9.864 1.00 75.21 H new ATOM 0 HD23 LEU A 111 4.311 1.707 -11.296 1.00 75.21 H new ATOM 1757 N SER A 112 0.894 -1.239 -9.938 1.00 42.40 N ATOM 1758 CA SER A 112 -0.305 -1.483 -10.757 1.00 44.32 C ATOM 1759 C SER A 112 -1.494 -1.904 -9.883 1.00 75.40 C ATOM 1760 O SER A 112 -2.648 -1.596 -10.193 1.00 32.04 O ATOM 1761 CB SER A 112 -0.036 -2.558 -11.820 1.00 54.43 C ATOM 1762 OG SER A 112 0.345 -3.789 -11.225 1.00 61.32 O ATOM 0 H SER A 112 1.680 -1.855 -10.146 1.00 42.40 H new ATOM 0 HA SER A 112 -0.553 -0.548 -11.258 1.00 44.32 H new ATOM 0 HB2 SER A 112 -0.931 -2.706 -12.425 1.00 54.43 H new ATOM 0 HB3 SER A 112 0.751 -2.218 -12.493 1.00 54.43 H new ATOM 0 HG SER A 112 0.573 -3.641 -10.283 1.00 61.32 H new ATOM 1768 N SER A 113 -1.203 -2.611 -8.792 1.00 52.30 N ATOM 1769 CA SER A 113 -2.227 -2.974 -7.801 1.00 2.12 C ATOM 1770 C SER A 113 -2.836 -1.724 -7.154 1.00 73.44 C ATOM 1771 O SER A 113 -4.059 -1.573 -7.104 1.00 63.42 O ATOM 1772 CB SER A 113 -1.632 -3.872 -6.710 1.00 61.12 C ATOM 1773 OG SER A 113 -2.596 -4.180 -5.713 1.00 22.31 O ATOM 0 H SER A 113 -0.266 -2.946 -8.568 1.00 52.30 H new ATOM 0 HA SER A 113 -3.012 -3.518 -8.326 1.00 2.12 H new ATOM 0 HB2 SER A 113 -1.261 -4.794 -7.157 1.00 61.12 H new ATOM 0 HB3 SER A 113 -0.778 -3.374 -6.252 1.00 61.12 H new ATOM 0 HG SER A 113 -3.226 -4.845 -6.061 1.00 22.31 H new ATOM 1779 N LEU A 114 -1.976 -0.828 -6.669 1.00 71.54 N ATOM 1780 CA LEU A 114 -2.424 0.433 -6.063 1.00 74.50 C ATOM 1781 C LEU A 114 -3.231 1.278 -7.064 1.00 11.23 C ATOM 1782 O LEU A 114 -4.281 1.832 -6.725 1.00 52.23 O ATOM 1783 CB LEU A 114 -1.220 1.234 -5.549 1.00 25.33 C ATOM 1784 CG LEU A 114 -0.359 0.522 -4.493 1.00 61.51 C ATOM 1785 CD1 LEU A 114 0.828 1.392 -4.090 1.00 51.11 C ATOM 1786 CD2 LEU A 114 -1.199 0.146 -3.269 1.00 45.41 C ATOM 0 H LEU A 114 -0.963 -0.949 -6.683 1.00 71.54 H new ATOM 0 HA LEU A 114 -3.075 0.188 -5.224 1.00 74.50 H new ATOM 0 HB2 LEU A 114 -0.586 1.490 -6.398 1.00 25.33 H new ATOM 0 HB3 LEU A 114 -1.582 2.171 -5.127 1.00 25.33 H new ATOM 0 HG LEU A 114 0.027 -0.398 -4.933 1.00 61.51 H new ATOM 0 HD11 LEU A 114 1.424 0.870 -3.342 1.00 51.11 H new ATOM 0 HD12 LEU A 114 1.443 1.597 -4.966 1.00 51.11 H new ATOM 0 HD13 LEU A 114 0.465 2.332 -3.674 1.00 51.11 H new ATOM 0 HD21 LEU A 114 -0.569 -0.357 -2.535 1.00 45.41 H new ATOM 0 HD22 LEU A 114 -1.622 1.048 -2.827 1.00 45.41 H new ATOM 0 HD23 LEU A 114 -2.005 -0.522 -3.572 1.00 45.41 H new ATOM 1798 N VAL A 115 -2.737 1.369 -8.299 1.00 0.34 N ATOM 1799 CA VAL A 115 -3.456 2.065 -9.370 1.00 65.24 C ATOM 1800 C VAL A 115 -4.848 1.448 -9.577 1.00 41.41 C ATOM 1801 O VAL A 115 -5.841 2.163 -9.697 1.00 54.13 O ATOM 1802 CB VAL A 115 -2.668 2.032 -10.707 1.00 62.23 C ATOM 1803 CG1 VAL A 115 -3.466 2.703 -11.827 1.00 45.40 C ATOM 1804 CG2 VAL A 115 -1.302 2.702 -10.547 1.00 54.12 C ATOM 0 H VAL A 115 -1.842 0.970 -8.584 1.00 0.34 H new ATOM 0 HA VAL A 115 -3.563 3.105 -9.063 1.00 65.24 H new ATOM 0 HB VAL A 115 -2.510 0.988 -10.979 1.00 62.23 H new ATOM 0 HG11 VAL A 115 -2.893 2.667 -12.754 1.00 45.40 H new ATOM 0 HG12 VAL A 115 -4.412 2.179 -11.965 1.00 45.40 H new ATOM 0 HG13 VAL A 115 -3.663 3.742 -11.562 1.00 45.40 H new ATOM 0 HG21 VAL A 115 -0.767 2.668 -11.496 1.00 54.12 H new ATOM 0 HG22 VAL A 115 -1.439 3.740 -10.245 1.00 54.12 H new ATOM 0 HG23 VAL A 115 -0.726 2.176 -9.786 1.00 54.12 H new ATOM 1814 N THR A 116 -4.913 0.116 -9.599 1.00 73.11 N ATOM 1815 CA THR A 116 -6.196 -0.596 -9.710 1.00 21.35 C ATOM 1816 C THR A 116 -7.115 -0.267 -8.527 1.00 31.01 C ATOM 1817 O THR A 116 -8.311 -0.044 -8.704 1.00 33.53 O ATOM 1818 CB THR A 116 -6.001 -2.132 -9.787 1.00 2.32 C ATOM 1819 OG1 THR A 116 -5.238 -2.473 -10.958 1.00 43.32 O ATOM 1820 CG2 THR A 116 -7.343 -2.865 -9.820 1.00 24.00 C ATOM 0 H THR A 116 -4.097 -0.494 -9.542 1.00 73.11 H new ATOM 0 HA THR A 116 -6.659 -0.256 -10.636 1.00 21.35 H new ATOM 0 HB THR A 116 -5.463 -2.445 -8.892 1.00 2.32 H new ATOM 0 HG1 THR A 116 -4.302 -2.216 -10.825 1.00 43.32 H new ATOM 0 HG21 THR A 116 -7.169 -3.940 -9.874 1.00 24.00 H new ATOM 0 HG22 THR A 116 -7.906 -2.633 -8.916 1.00 24.00 H new ATOM 0 HG23 THR A 116 -7.911 -2.545 -10.694 1.00 24.00 H new ATOM 1828 N LEU A 117 -6.545 -0.233 -7.323 1.00 1.11 N ATOM 1829 CA LEU A 117 -7.291 0.146 -6.115 1.00 41.32 C ATOM 1830 C LEU A 117 -7.913 1.544 -6.273 1.00 22.22 C ATOM 1831 O LEU A 117 -9.047 1.784 -5.858 1.00 40.21 O ATOM 1832 CB LEU A 117 -6.362 0.111 -4.891 1.00 35.11 C ATOM 1833 CG LEU A 117 -7.009 0.498 -3.547 1.00 1.10 C ATOM 1834 CD1 LEU A 117 -8.151 -0.450 -3.194 1.00 43.53 C ATOM 1835 CD2 LEU A 117 -5.964 0.517 -2.434 1.00 61.14 C ATOM 0 H LEU A 117 -5.566 -0.464 -7.154 1.00 1.11 H new ATOM 0 HA LEU A 117 -8.099 -0.571 -5.968 1.00 41.32 H new ATOM 0 HB2 LEU A 117 -5.951 -0.894 -4.799 1.00 35.11 H new ATOM 0 HB3 LEU A 117 -5.523 0.782 -5.076 1.00 35.11 H new ATOM 0 HG LEU A 117 -7.424 1.501 -3.650 1.00 1.10 H new ATOM 0 HD11 LEU A 117 -8.589 -0.153 -2.241 1.00 43.53 H new ATOM 0 HD12 LEU A 117 -8.913 -0.408 -3.972 1.00 43.53 H new ATOM 0 HD13 LEU A 117 -7.768 -1.468 -3.116 1.00 43.53 H new ATOM 0 HD21 LEU A 117 -6.440 0.792 -1.493 1.00 61.14 H new ATOM 0 HD22 LEU A 117 -5.516 -0.472 -2.338 1.00 61.14 H new ATOM 0 HD23 LEU A 117 -5.189 1.244 -2.675 1.00 61.14 H new ATOM 1847 N ASN A 118 -7.160 2.456 -6.884 1.00 63.22 N ATOM 1848 CA ASN A 118 -7.656 3.801 -7.192 1.00 44.22 C ATOM 1849 C ASN A 118 -8.743 3.758 -8.282 1.00 12.04 C ATOM 1850 O ASN A 118 -9.774 4.414 -8.167 1.00 53.20 O ATOM 1851 CB ASN A 118 -6.486 4.695 -7.630 1.00 14.15 C ATOM 1852 CG ASN A 118 -6.919 6.098 -8.023 1.00 33.32 C ATOM 1853 OD1 ASN A 118 -7.182 6.378 -9.189 1.00 53.03 O ATOM 1854 ND2 ASN A 118 -6.993 6.994 -7.059 1.00 51.21 N ATOM 0 H ASN A 118 -6.198 2.289 -7.178 1.00 63.22 H new ATOM 0 HA ASN A 118 -8.109 4.218 -6.293 1.00 44.22 H new ATOM 0 HB2 ASN A 118 -5.762 4.759 -6.817 1.00 14.15 H new ATOM 0 HB3 ASN A 118 -5.977 4.229 -8.474 1.00 14.15 H new ATOM 0 HD21 ASN A 118 -7.275 7.951 -7.272 1.00 51.21 H new ATOM 0 HD22 ASN A 118 -6.768 6.731 -6.100 1.00 51.21 H new ATOM 1861 N LYS A 119 -8.505 2.968 -9.328 1.00 42.10 N ATOM 1862 CA LYS A 119 -9.444 2.848 -10.456 1.00 33.40 C ATOM 1863 C LYS A 119 -10.821 2.320 -10.016 1.00 42.54 C ATOM 1864 O LYS A 119 -11.852 2.940 -10.293 1.00 21.23 O ATOM 1865 CB LYS A 119 -8.866 1.912 -11.527 1.00 4.42 C ATOM 1866 CG LYS A 119 -7.619 2.450 -12.224 1.00 23.34 C ATOM 1867 CD LYS A 119 -6.993 1.404 -13.144 1.00 25.12 C ATOM 1868 CE LYS A 119 -7.971 0.921 -14.211 1.00 2.23 C ATOM 1869 NZ LYS A 119 -7.404 -0.188 -15.019 1.00 34.41 N ATOM 0 H LYS A 119 -7.666 2.396 -9.423 1.00 42.10 H new ATOM 0 HA LYS A 119 -9.581 3.850 -10.863 1.00 33.40 H new ATOM 0 HB2 LYS A 119 -8.625 0.955 -11.065 1.00 4.42 H new ATOM 0 HB3 LYS A 119 -9.633 1.720 -12.277 1.00 4.42 H new ATOM 0 HG2 LYS A 119 -7.879 3.336 -12.803 1.00 23.34 H new ATOM 0 HG3 LYS A 119 -6.889 2.761 -11.476 1.00 23.34 H new ATOM 0 HD2 LYS A 119 -6.111 1.826 -13.625 1.00 25.12 H new ATOM 0 HD3 LYS A 119 -6.656 0.554 -12.550 1.00 25.12 H new ATOM 0 HE2 LYS A 119 -8.893 0.589 -13.735 1.00 2.23 H new ATOM 0 HE3 LYS A 119 -8.232 1.751 -14.867 1.00 2.23 H new ATOM 0 HZ1 LYS A 119 -8.099 -0.488 -15.733 1.00 34.41 H new ATOM 0 HZ2 LYS A 119 -6.538 0.136 -15.494 1.00 34.41 H new ATOM 0 HZ3 LYS A 119 -7.178 -0.990 -14.397 1.00 34.41 H new ATOM 1883 N VAL A 120 -10.830 1.168 -9.345 1.00 12.13 N ATOM 1884 CA VAL A 120 -12.082 0.526 -8.924 1.00 1.44 C ATOM 1885 C VAL A 120 -12.895 1.415 -7.967 1.00 11.34 C ATOM 1886 O VAL A 120 -14.107 1.564 -8.126 1.00 31.01 O ATOM 1887 CB VAL A 120 -11.824 -0.860 -8.269 1.00 13.32 C ATOM 1888 CG1 VAL A 120 -11.209 -1.825 -9.281 1.00 71.13 C ATOM 1889 CG2 VAL A 120 -10.931 -0.733 -7.032 1.00 32.23 C ATOM 0 H VAL A 120 -9.987 0.658 -9.080 1.00 12.13 H new ATOM 0 HA VAL A 120 -12.669 0.378 -9.830 1.00 1.44 H new ATOM 0 HB VAL A 120 -12.784 -1.262 -7.946 1.00 13.32 H new ATOM 0 HG11 VAL A 120 -11.035 -2.790 -8.805 1.00 71.13 H new ATOM 0 HG12 VAL A 120 -11.890 -1.953 -10.122 1.00 71.13 H new ATOM 0 HG13 VAL A 120 -10.262 -1.422 -9.639 1.00 71.13 H new ATOM 0 HG21 VAL A 120 -10.769 -1.719 -6.597 1.00 32.23 H new ATOM 0 HG22 VAL A 120 -9.972 -0.301 -7.318 1.00 32.23 H new ATOM 0 HG23 VAL A 120 -11.415 -0.088 -6.299 1.00 32.23 H new ATOM 1899 N THR A 121 -12.229 2.027 -6.989 1.00 30.41 N ATOM 1900 CA THR A 121 -12.910 2.906 -6.029 1.00 64.00 C ATOM 1901 C THR A 121 -13.335 4.227 -6.682 1.00 24.03 C ATOM 1902 O THR A 121 -14.377 4.788 -6.338 1.00 62.11 O ATOM 1903 CB THR A 121 -12.032 3.198 -4.788 1.00 42.30 C ATOM 1904 OG1 THR A 121 -10.781 3.769 -5.191 1.00 60.24 O ATOM 1905 CG2 THR A 121 -11.779 1.922 -3.989 1.00 24.14 C ATOM 0 H THR A 121 -11.225 1.934 -6.838 1.00 30.41 H new ATOM 0 HA THR A 121 -13.802 2.372 -5.701 1.00 64.00 H new ATOM 0 HB THR A 121 -12.566 3.907 -4.155 1.00 42.30 H new ATOM 0 HG1 THR A 121 -10.162 3.053 -5.445 1.00 60.24 H new ATOM 0 HG21 THR A 121 -11.160 2.152 -3.122 1.00 24.14 H new ATOM 0 HG22 THR A 121 -12.730 1.507 -3.656 1.00 24.14 H new ATOM 0 HG23 THR A 121 -11.266 1.194 -4.618 1.00 24.14 H new ATOM 1913 N ALA A 122 -12.537 4.716 -7.630 1.00 15.21 N ATOM 1914 CA ALA A 122 -12.909 5.902 -8.415 1.00 1.23 C ATOM 1915 C ALA A 122 -14.180 5.636 -9.232 1.00 53.42 C ATOM 1916 O ALA A 122 -15.002 6.531 -9.441 1.00 2.21 O ATOM 1917 CB ALA A 122 -11.765 6.328 -9.330 1.00 54.14 C ATOM 0 H ALA A 122 -11.632 4.315 -7.876 1.00 15.21 H new ATOM 0 HA ALA A 122 -13.112 6.717 -7.720 1.00 1.23 H new ATOM 0 HB1 ALA A 122 -12.064 7.207 -9.901 1.00 54.14 H new ATOM 0 HB2 ALA A 122 -10.888 6.566 -8.729 1.00 54.14 H new ATOM 0 HB3 ALA A 122 -11.525 5.515 -10.015 1.00 54.14 H new ATOM 1923 N ASP A 123 -14.330 4.396 -9.692 1.00 55.24 N ATOM 1924 CA ASP A 123 -15.536 3.971 -10.404 1.00 15.33 C ATOM 1925 C ASP A 123 -16.734 3.891 -9.439 1.00 43.24 C ATOM 1926 O ASP A 123 -17.877 4.164 -9.815 1.00 44.34 O ATOM 1927 CB ASP A 123 -15.294 2.614 -11.079 1.00 4.03 C ATOM 1928 CG ASP A 123 -16.417 2.227 -12.022 1.00 1.44 C ATOM 1929 OD1 ASP A 123 -16.496 2.810 -13.123 1.00 44.31 O ATOM 1930 OD2 ASP A 123 -17.230 1.345 -11.669 1.00 23.34 O ATOM 0 H ASP A 123 -13.628 3.664 -9.584 1.00 55.24 H new ATOM 0 HA ASP A 123 -15.769 4.708 -11.172 1.00 15.33 H new ATOM 0 HB2 ASP A 123 -14.355 2.649 -11.632 1.00 4.03 H new ATOM 0 HB3 ASP A 123 -15.185 1.845 -10.314 1.00 4.03 H new