USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 641 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 20 THR OG1 : rot -112:sc= -1.04 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 79:sc= 0.569 USER MOD Single : A 36 SER OG : rot 180:sc= 0.104 USER MOD Single : A 38 ASN : amide:sc= -0.821 K(o=-0.82,f=-3.9!) USER MOD Single : A 39 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= -0.133 (180deg=-0.557) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 50 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.0018) USER MOD Single : A 51 ASN : amide:sc= -1.25 K(o=-1.3,f=-1.9) USER MOD Single : A 64 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.66) USER MOD Single : A 65 GLN : amide:sc= -0.332 X(o=-0.33,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -119:sc= -0.297 (180deg=-1.64!) USER MOD Single : A 73 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.29) USER MOD Single : A 76 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.35) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -2.64 K(o=-2.6,f=-5.4!) USER MOD Single : A 92 ASN : amide:sc= -2.05 X(o=-2,f=-2.5!) USER MOD Single : A 95 HIS : no HE2:sc= -3.56! C(o=-3.6!,f=-8.1!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.738 38.342 9.126 1.00 33.52 N ATOM 244 CA ARG A 18 7.643 37.411 10.243 1.00 13.22 C ATOM 245 C ARG A 18 7.016 36.092 9.799 1.00 32.13 C ATOM 246 O ARG A 18 5.822 36.009 9.513 1.00 45.04 O ATOM 247 CB ARG A 18 6.818 38.023 11.377 1.00 74.21 C ATOM 248 CG ARG A 18 7.152 37.457 12.748 1.00 51.14 C ATOM 249 CD ARG A 18 6.555 36.072 12.939 1.00 72.54 C ATOM 250 NE ARG A 18 6.195 35.819 14.331 1.00 24.34 N ATOM 251 CZ ARG A 18 7.080 35.526 15.277 1.00 34.35 C ATOM 252 NH1 ARG A 18 8.370 35.449 14.983 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 6.674 35.309 16.522 1.00 44.41 N ATOM 0 HA ARG A 18 8.652 37.212 10.604 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.977 39.101 11.390 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.760 37.860 11.174 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.234 37.408 12.869 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.775 38.127 13.521 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.670 35.969 12.311 1.00 72.54 H new ATOM 0 HD3 ARG A 18 7.271 35.320 12.607 1.00 72.54 H new ATOM 0 HE ARG A 18 5.210 35.870 14.591 1.00 24.34 H new ATOM 0 HH11 ARG A 18 8.686 35.615 14.028 1.00 13.44 H new ATOM 0 HH12 ARG A 18 9.047 35.224 15.712 1.00 13.44 H new ATOM 0 HH21 ARG A 18 5.682 35.367 16.752 1.00 44.41 H new ATOM 0 HH22 ARG A 18 7.354 35.084 17.248 1.00 44.41 H new ATOM 267 N PRO A 19 7.840 35.035 9.738 1.00 42.30 N ATOM 268 CA PRO A 19 7.390 33.702 9.330 1.00 72.54 C ATOM 269 C PRO A 19 6.479 33.055 10.368 1.00 40.44 C ATOM 270 O PRO A 19 6.346 33.550 11.489 1.00 14.01 O ATOM 271 CB PRO A 19 8.694 32.912 9.198 1.00 10.11 C ATOM 272 CG PRO A 19 9.651 33.606 10.103 1.00 63.22 C ATOM 273 CD PRO A 19 9.276 35.062 10.065 1.00 44.21 C ATOM 0 HA PRO A 19 6.800 33.734 8.414 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.557 31.871 9.490 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.053 32.910 8.169 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.584 33.212 11.117 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.679 33.459 9.771 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.461 35.550 11.022 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.849 35.605 9.314 1.00 44.21 H new ATOM 281 N THR A 20 5.850 31.946 9.989 1.00 65.22 N ATOM 282 CA THR A 20 4.951 31.232 10.886 1.00 1.42 C ATOM 283 C THR A 20 5.191 29.728 10.822 1.00 44.04 C ATOM 284 O THR A 20 5.106 29.120 9.755 1.00 14.52 O ATOM 285 CB THR A 20 3.476 31.520 10.549 1.00 74.14 C ATOM 286 OG1 THR A 20 3.250 32.934 10.511 1.00 14.13 O ATOM 287 CG2 THR A 20 2.552 30.881 11.574 1.00 21.30 C ATOM 0 H THR A 20 5.947 31.523 9.066 1.00 65.22 H new ATOM 0 HA THR A 20 5.162 31.588 11.894 1.00 1.42 H new ATOM 0 HB THR A 20 3.259 31.091 9.571 1.00 74.14 H new ATOM 0 HG1 THR A 20 2.672 33.193 11.259 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.516 31.098 11.315 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.706 29.802 11.580 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.771 31.284 12.563 1.00 21.30 H new ATOM 295 N VAL A 21 5.489 29.131 11.973 1.00 72.24 N ATOM 296 CA VAL A 21 5.738 27.697 12.047 1.00 21.13 C ATOM 297 C VAL A 21 4.525 26.956 12.596 1.00 13.22 C ATOM 298 O VAL A 21 4.058 27.241 13.700 1.00 54.24 O ATOM 299 CB VAL A 21 6.961 27.385 12.931 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.790 27.996 14.314 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.179 25.883 13.026 1.00 62.22 C ATOM 0 H VAL A 21 5.564 29.619 12.866 1.00 72.24 H new ATOM 0 HA VAL A 21 5.937 27.357 11.031 1.00 21.13 H new ATOM 0 HB VAL A 21 7.844 27.829 12.471 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.663 27.765 14.924 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.686 29.077 14.224 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.898 27.584 14.786 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.047 25.680 13.654 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.297 25.414 13.463 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.350 25.476 12.029 1.00 62.22 H new ATOM 311 N ILE A 22 4.020 26.002 11.821 1.00 3.43 N ATOM 312 CA ILE A 22 2.861 25.219 12.231 1.00 12.44 C ATOM 313 C ILE A 22 3.255 23.780 12.549 1.00 32.43 C ATOM 314 O ILE A 22 4.051 23.172 11.834 1.00 24.12 O ATOM 315 CB ILE A 22 1.771 25.213 11.143 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.497 26.638 10.657 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.497 24.574 11.673 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.443 26.715 9.574 1.00 60.50 C ATOM 0 H ILE A 22 4.395 25.753 10.906 1.00 3.43 H new ATOM 0 HA ILE A 22 2.463 25.691 13.129 1.00 12.44 H new ATOM 0 HB ILE A 22 2.125 24.623 10.298 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.182 27.248 11.504 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.425 27.070 10.281 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.264 24.577 10.892 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.703 23.547 11.974 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.137 25.139 12.533 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.301 27.754 9.278 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.765 26.133 8.711 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.497 26.313 9.952 1.00 60.50 H new ATOM 330 N ARG A 23 2.690 23.241 13.624 1.00 11.32 N ATOM 331 CA ARG A 23 2.981 21.874 14.036 1.00 71.41 C ATOM 332 C ARG A 23 1.809 20.949 13.718 1.00 72.25 C ATOM 333 O ARG A 23 0.657 21.380 13.686 1.00 15.13 O ATOM 334 CB ARG A 23 3.292 21.825 15.533 1.00 10.01 C ATOM 335 CG ARG A 23 3.781 20.466 16.009 1.00 51.15 C ATOM 336 CD ARG A 23 4.043 20.464 17.507 1.00 13.14 C ATOM 337 NE ARG A 23 5.196 21.286 17.863 1.00 73.24 N ATOM 338 CZ ARG A 23 6.455 20.876 17.748 1.00 1.22 C ATOM 339 NH1 ARG A 23 6.721 19.660 17.291 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 7.450 21.682 18.092 1.00 60.42 N ATOM 0 H ARG A 23 2.028 23.731 14.226 1.00 11.32 H new ATOM 0 HA ARG A 23 3.853 21.531 13.479 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.049 22.575 15.763 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.395 22.095 16.091 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.039 19.705 15.767 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.695 20.200 15.478 1.00 51.15 H new ATOM 0 HD2 ARG A 23 3.160 20.832 18.030 1.00 13.14 H new ATOM 0 HD3 ARG A 23 4.209 19.441 17.844 1.00 13.14 H new ATOM 0 HE ARG A 23 5.026 22.226 18.219 1.00 73.24 H new ATOM 0 HH11 ARG A 23 5.958 19.036 17.027 1.00 61.23 H new ATOM 0 HH12 ARG A 23 7.688 19.348 17.204 1.00 61.23 H new ATOM 0 HH21 ARG A 23 7.250 22.618 18.445 1.00 60.42 H new ATOM 0 HH22 ARG A 23 8.416 21.366 18.003 1.00 60.42 H new ATOM 354 N TRP A 24 2.113 19.677 13.484 1.00 3.23 N ATOM 355 CA TRP A 24 1.086 18.692 13.168 1.00 15.23 C ATOM 356 C TRP A 24 1.280 17.421 13.988 1.00 63.45 C ATOM 357 O TRP A 24 2.380 16.874 14.049 1.00 54.01 O ATOM 358 CB TRP A 24 1.110 18.360 11.676 1.00 72.25 C ATOM 359 CG TRP A 24 0.239 17.195 11.311 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.645 15.913 11.071 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.182 17.207 11.146 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.441 15.128 10.765 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.573 15.897 10.805 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.165 18.195 11.253 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.902 15.554 10.572 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.483 17.853 11.021 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.842 16.541 10.683 1.00 33.23 C ATOM 0 H TRP A 24 3.062 19.304 13.507 1.00 3.23 H new ATOM 0 HA TRP A 24 0.116 19.121 13.421 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.789 19.235 11.111 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.136 18.146 11.375 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.667 15.568 11.115 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.409 14.133 10.544 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.898 19.209 11.513 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.181 14.543 10.313 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.250 18.609 11.101 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.881 16.305 10.507 1.00 33.23 H new ATOM 378 N SER A 25 0.204 16.956 14.615 1.00 32.42 N ATOM 379 CA SER A 25 0.258 15.751 15.433 1.00 61.31 C ATOM 380 C SER A 25 -0.856 14.782 15.048 1.00 1.43 C ATOM 381 O SER A 25 -2.032 15.040 15.302 1.00 0.20 O ATOM 382 CB SER A 25 0.147 16.110 16.916 1.00 74.14 C ATOM 383 OG SER A 25 0.225 14.952 17.730 1.00 11.02 O ATOM 0 H SER A 25 -0.715 17.396 14.572 1.00 32.42 H new ATOM 0 HA SER A 25 1.217 15.264 15.255 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.944 16.802 17.186 1.00 74.14 H new ATOM 0 HB3 SER A 25 -0.797 16.624 17.099 1.00 74.14 H new ATOM 0 HG SER A 25 0.153 15.209 18.673 1.00 11.02 H new ATOM 389 N GLU A 26 -0.475 13.667 14.434 1.00 53.04 N ATOM 390 CA GLU A 26 -1.441 12.659 14.013 1.00 60.10 C ATOM 391 C GLU A 26 -0.801 11.274 13.973 1.00 74.23 C ATOM 392 O GLU A 26 -1.390 10.294 14.425 1.00 22.33 O ATOM 393 CB GLU A 26 -2.010 13.010 12.636 1.00 62.15 C ATOM 394 CG GLU A 26 -3.294 12.269 12.301 1.00 12.22 C ATOM 395 CD GLU A 26 -3.505 12.114 10.807 1.00 34.13 C ATOM 396 OE1 GLU A 26 -2.518 11.841 10.093 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -4.658 12.267 10.353 1.00 61.43 O ATOM 0 H GLU A 26 0.495 13.439 14.217 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.252 12.644 14.741 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.198 14.083 12.592 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.262 12.786 11.875 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.272 11.283 12.765 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -4.141 12.805 12.730 1.00 12.22 H new ATOM 404 N GLY A 27 0.409 11.203 13.427 1.00 15.14 N ATOM 405 CA GLY A 27 1.108 9.935 13.337 1.00 4.13 C ATOM 406 C GLY A 27 1.237 9.443 11.909 1.00 73.25 C ATOM 407 O GLY A 27 1.083 8.253 11.639 1.00 40.05 O ATOM 0 H GLY A 27 0.917 12.001 13.046 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.102 10.040 13.773 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.578 9.189 13.928 1.00 4.13 H new ATOM 411 N GLY A 28 1.518 10.363 10.992 1.00 1.41 N ATOM 412 CA GLY A 28 1.660 9.997 9.594 1.00 61.23 C ATOM 413 C GLY A 28 3.110 9.936 9.155 1.00 31.04 C ATOM 414 O GLY A 28 4.006 10.358 9.886 1.00 11.20 O ATOM 0 H GLY A 28 1.650 11.355 11.191 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.192 9.027 9.426 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.127 10.720 8.976 1.00 61.23 H new ATOM 418 N LYS A 29 3.343 9.407 7.959 1.00 2.02 N ATOM 419 CA LYS A 29 4.693 9.290 7.423 1.00 70.24 C ATOM 420 C LYS A 29 5.053 10.514 6.586 1.00 44.33 C ATOM 421 O LYS A 29 6.108 11.119 6.777 1.00 44.34 O ATOM 422 CB LYS A 29 4.820 8.023 6.574 1.00 33.13 C ATOM 423 CG LYS A 29 4.272 6.780 7.253 1.00 54.20 C ATOM 424 CD LYS A 29 2.868 6.455 6.773 1.00 2.42 C ATOM 425 CE LYS A 29 2.892 5.525 5.569 1.00 32.15 C ATOM 426 NZ LYS A 29 1.604 4.796 5.404 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.613 9.052 7.342 1.00 2.02 H new ATOM 0 HA LYS A 29 5.386 9.228 8.262 1.00 70.24 H new ATOM 0 HB2 LYS A 29 4.295 8.173 5.631 1.00 33.13 H new ATOM 0 HB3 LYS A 29 5.870 7.862 6.332 1.00 33.13 H new ATOM 0 HG2 LYS A 29 4.931 5.935 7.053 1.00 54.20 H new ATOM 0 HG3 LYS A 29 4.263 6.928 8.333 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.304 5.990 7.582 1.00 2.42 H new ATOM 0 HD3 LYS A 29 2.349 7.377 6.512 1.00 2.42 H new ATOM 0 HE2 LYS A 29 3.100 6.103 4.668 1.00 32.15 H new ATOM 0 HE3 LYS A 29 3.704 4.806 5.682 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 1.662 4.173 4.573 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.417 4.225 6.253 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 0.832 5.480 5.271 1.00 31.05 H new ATOM 440 N GLU A 30 4.170 10.872 5.658 1.00 70.41 N ATOM 441 CA GLU A 30 4.397 12.023 4.793 1.00 31.12 C ATOM 442 C GLU A 30 3.344 13.102 5.036 1.00 62.13 C ATOM 443 O GLU A 30 2.153 12.883 4.813 1.00 50.04 O ATOM 444 CB GLU A 30 4.377 11.597 3.324 1.00 52.54 C ATOM 445 CG GLU A 30 5.317 10.445 3.012 1.00 64.11 C ATOM 446 CD GLU A 30 6.776 10.825 3.174 1.00 64.32 C ATOM 447 OE1 GLU A 30 7.121 11.991 2.891 1.00 41.54 O ATOM 448 OE2 GLU A 30 7.574 9.954 3.582 1.00 24.13 O1- ATOM 0 H GLU A 30 3.292 10.382 5.487 1.00 70.41 H new ATOM 0 HA GLU A 30 5.377 12.436 5.030 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.361 11.310 3.051 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.645 12.452 2.703 1.00 52.54 H new ATOM 0 HG2 GLU A 30 5.088 9.606 3.669 1.00 64.11 H new ATOM 0 HG3 GLU A 30 5.145 10.106 1.990 1.00 64.11 H new ATOM 455 N VAL A 31 3.792 14.265 5.495 1.00 74.14 N ATOM 456 CA VAL A 31 2.889 15.378 5.767 1.00 50.44 C ATOM 457 C VAL A 31 3.275 16.610 4.956 1.00 42.45 C ATOM 458 O VAL A 31 4.457 16.896 4.766 1.00 5.15 O ATOM 459 CB VAL A 31 2.886 15.744 7.263 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.802 16.769 7.561 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.700 14.497 8.115 1.00 3.42 C ATOM 0 H VAL A 31 4.774 14.462 5.687 1.00 74.14 H new ATOM 0 HA VAL A 31 1.890 15.053 5.477 1.00 50.44 H new ATOM 0 HB VAL A 31 3.850 16.188 7.512 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.816 17.015 8.623 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.984 17.671 6.977 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.828 16.356 7.297 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.700 14.773 9.169 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.751 14.023 7.864 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.515 13.800 7.922 1.00 3.42 H new ATOM 471 N PHE A 32 2.269 17.335 4.478 1.00 3.30 N ATOM 472 CA PHE A 32 2.503 18.537 3.686 1.00 33.30 C ATOM 473 C PHE A 32 1.542 19.651 4.091 1.00 0.43 C ATOM 474 O PHE A 32 0.634 19.439 4.896 1.00 64.31 O ATOM 475 CB PHE A 32 2.344 18.229 2.195 1.00 54.22 C ATOM 476 CG PHE A 32 3.198 17.086 1.725 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.738 15.782 1.803 1.00 31.12 C ATOM 478 CD2 PHE A 32 4.461 17.317 1.204 1.00 61.04 C ATOM 479 CE1 PHE A 32 3.522 14.729 1.371 1.00 15.41 C ATOM 480 CE2 PHE A 32 5.250 16.268 0.771 1.00 62.11 C ATOM 481 CZ PHE A 32 4.779 14.972 0.854 1.00 40.11 C ATOM 0 H PHE A 32 1.285 17.111 4.625 1.00 3.30 H new ATOM 0 HA PHE A 32 3.522 18.874 3.875 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.298 18.000 1.989 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.594 19.120 1.619 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.755 15.586 2.206 1.00 31.12 H new ATOM 0 HD2 PHE A 32 4.833 18.328 1.135 1.00 61.04 H new ATOM 0 HE1 PHE A 32 3.152 13.717 1.438 1.00 15.41 H new ATOM 0 HE2 PHE A 32 6.233 16.461 0.368 1.00 62.11 H new ATOM 0 HZ PHE A 32 5.393 14.150 0.515 1.00 40.11 H new ATOM 491 N ILE A 33 1.750 20.837 3.530 1.00 13.34 N ATOM 492 CA ILE A 33 0.903 21.984 3.832 1.00 72.44 C ATOM 493 C ILE A 33 0.697 22.855 2.598 1.00 11.41 C ATOM 494 O ILE A 33 1.594 22.997 1.768 1.00 13.30 O ATOM 495 CB ILE A 33 1.503 22.845 4.959 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.580 24.023 5.277 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.887 23.339 4.569 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.795 24.605 6.657 1.00 0.14 C ATOM 0 H ILE A 33 2.498 21.029 2.864 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.058 21.589 4.160 1.00 72.44 H new ATOM 0 HB ILE A 33 1.598 22.230 5.854 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.734 24.805 4.534 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.456 23.697 5.187 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.297 23.946 5.376 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.540 22.485 4.388 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.817 23.940 3.663 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.107 25.436 6.813 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.613 23.837 7.408 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.821 24.963 6.745 1.00 0.14 H new ATOM 510 N SER A 34 -0.493 23.439 2.485 1.00 74.21 N ATOM 511 CA SER A 34 -0.818 24.296 1.350 1.00 21.11 C ATOM 512 C SER A 34 -1.865 25.336 1.739 1.00 75.54 C ATOM 513 O SER A 34 -2.824 25.033 2.447 1.00 75.43 O ATOM 514 CB SER A 34 -1.328 23.455 0.179 1.00 25.35 C ATOM 515 OG SER A 34 -2.741 23.514 0.086 1.00 52.43 O ATOM 0 H SER A 34 -1.246 23.334 3.164 1.00 74.21 H new ATOM 0 HA SER A 34 0.090 24.816 1.045 1.00 21.11 H new ATOM 0 HB2 SER A 34 -0.884 23.812 -0.750 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.012 22.420 0.306 1.00 25.35 H new ATOM 0 HG SER A 34 -3.006 24.353 -0.345 1.00 52.43 H new ATOM 521 N GLY A 35 -1.673 26.565 1.268 1.00 54.31 N ATOM 522 CA GLY A 35 -2.607 27.631 1.576 1.00 42.32 C ATOM 523 C GLY A 35 -2.529 28.774 0.583 1.00 45.21 C ATOM 524 O GLY A 35 -1.843 28.677 -0.435 1.00 21.03 O ATOM 0 H GLY A 35 -0.887 26.841 0.679 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.621 27.230 1.586 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.404 28.009 2.578 1.00 42.32 H new ATOM 528 N SER A 36 -3.235 29.861 0.878 1.00 75.24 N ATOM 529 CA SER A 36 -3.247 31.027 0.000 1.00 34.33 C ATOM 530 C SER A 36 -1.889 31.721 0.001 1.00 71.13 C ATOM 531 O SER A 36 -1.621 32.586 -0.832 1.00 4.31 O ATOM 532 CB SER A 36 -4.336 32.009 0.437 1.00 65.34 C ATOM 533 OG SER A 36 -4.201 32.343 1.808 1.00 13.12 O ATOM 0 H SER A 36 -3.806 29.959 1.717 1.00 75.24 H new ATOM 0 HA SER A 36 -3.460 30.687 -1.013 1.00 34.33 H new ATOM 0 HB2 SER A 36 -4.279 32.914 -0.168 1.00 65.34 H new ATOM 0 HB3 SER A 36 -5.318 31.570 0.261 1.00 65.34 H new ATOM 0 HG SER A 36 -4.907 32.973 2.062 1.00 13.12 H new ATOM 539 N PHE A 37 -1.035 31.336 0.944 1.00 23.10 N ATOM 540 CA PHE A 37 0.295 31.922 1.056 1.00 11.12 C ATOM 541 C PHE A 37 1.196 31.448 -0.081 1.00 50.51 C ATOM 542 O PHE A 37 2.228 32.055 -0.365 1.00 73.12 O ATOM 543 CB PHE A 37 0.924 31.561 2.403 1.00 22.03 C ATOM 544 CG PHE A 37 1.008 30.081 2.647 1.00 62.52 C ATOM 545 CD1 PHE A 37 2.010 29.324 2.062 1.00 1.14 C ATOM 546 CD2 PHE A 37 0.084 29.446 3.462 1.00 4.33 C ATOM 547 CE1 PHE A 37 2.090 27.962 2.285 1.00 24.12 C ATOM 548 CE2 PHE A 37 0.160 28.085 3.690 1.00 63.12 C ATOM 549 CZ PHE A 37 1.164 27.342 3.099 1.00 45.15 C ATOM 0 H PHE A 37 -1.241 30.621 1.641 1.00 23.10 H new ATOM 0 HA PHE A 37 0.193 33.005 0.989 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.926 31.987 2.453 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.342 32.021 3.202 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.737 29.804 1.424 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -0.704 30.021 3.924 1.00 4.33 H new ATOM 0 HE1 PHE A 37 2.876 27.384 1.823 1.00 24.12 H new ATOM 0 HE2 PHE A 37 -0.565 27.603 4.329 1.00 63.12 H new ATOM 0 HZ PHE A 37 1.224 26.278 3.274 1.00 45.15 H new ATOM 559 N ASN A 38 0.797 30.358 -0.728 1.00 22.03 N ATOM 560 CA ASN A 38 1.568 29.799 -1.834 1.00 73.21 C ATOM 561 C ASN A 38 0.689 29.608 -3.067 1.00 65.12 C ATOM 562 O ASN A 38 1.047 28.875 -3.989 1.00 33.34 O ATOM 563 CB ASN A 38 2.192 28.464 -1.426 1.00 74.54 C ATOM 564 CG ASN A 38 1.153 27.378 -1.223 1.00 31.23 C ATOM 565 OD1 ASN A 38 0.659 27.176 -0.113 1.00 32.13 O ATOM 566 ND2 ASN A 38 0.817 26.673 -2.296 1.00 70.32 N ATOM 0 H ASN A 38 -0.056 29.844 -0.506 1.00 22.03 H new ATOM 0 HA ASN A 38 2.363 30.502 -2.082 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.899 28.147 -2.192 1.00 74.54 H new ATOM 0 HB3 ASN A 38 2.759 28.598 -0.505 1.00 74.54 H new ATOM 0 HD21 ASN A 38 0.123 25.929 -2.221 1.00 70.32 H new ATOM 0 HD22 ASN A 38 1.252 26.875 -3.196 1.00 70.32 H new ATOM 573 N ASN A 39 -0.463 30.271 -3.075 1.00 74.22 N ATOM 574 CA ASN A 39 -1.393 30.173 -4.194 1.00 43.44 C ATOM 575 C ASN A 39 -1.903 28.743 -4.355 1.00 54.22 C ATOM 576 O ASN A 39 -2.431 28.377 -5.404 1.00 61.41 O ATOM 577 CB ASN A 39 -0.718 30.633 -5.487 1.00 4.25 C ATOM 578 CG ASN A 39 -1.198 32.001 -5.935 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.333 32.392 -5.662 1.00 13.05 O ATOM 580 ND2 ASN A 39 -0.333 32.734 -6.626 1.00 32.44 N ATOM 0 H ASN A 39 -0.775 30.882 -2.320 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.243 30.822 -3.985 1.00 43.44 H new ATOM 0 HB2 ASN A 39 0.362 30.660 -5.340 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.915 29.906 -6.275 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -0.599 33.662 -6.954 1.00 32.44 H new ATOM 0 HD22 ASN A 39 0.597 32.369 -6.829 1.00 32.44 H new ATOM 587 N TRP A 40 -1.740 27.943 -3.307 1.00 11.01 N ATOM 588 CA TRP A 40 -2.184 26.553 -3.332 1.00 32.51 C ATOM 589 C TRP A 40 -1.564 25.804 -4.506 1.00 23.40 C ATOM 590 O TRP A 40 -2.115 24.811 -4.981 1.00 14.41 O ATOM 591 CB TRP A 40 -3.710 26.485 -3.417 1.00 1.54 C ATOM 592 CG TRP A 40 -4.400 27.266 -2.339 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.671 28.604 -2.341 1.00 31.41 C ATOM 594 CD2 TRP A 40 -4.906 26.755 -1.101 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.314 28.956 -1.179 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.470 27.839 -0.402 1.00 20.21 C ATOM 597 CE3 TRP A 40 -4.937 25.486 -0.515 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.057 27.692 0.852 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.521 25.341 0.730 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.075 26.439 1.401 1.00 71.30 C ATOM 0 H TRP A 40 -1.305 28.232 -2.431 1.00 11.01 H new ATOM 0 HA TRP A 40 -1.857 26.077 -2.408 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.030 26.860 -4.389 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.024 25.443 -3.359 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.417 29.286 -3.139 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.625 29.896 -0.935 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.512 24.634 -1.026 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.483 28.537 1.373 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.551 24.366 1.193 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.526 26.293 2.372 1.00 71.30 H new ATOM 611 N SER A 41 -0.415 26.286 -4.970 1.00 74.51 N ATOM 612 CA SER A 41 0.278 25.663 -6.091 1.00 24.05 C ATOM 613 C SER A 41 1.249 24.592 -5.602 1.00 42.45 C ATOM 614 O SER A 41 1.058 23.402 -5.855 1.00 72.12 O ATOM 615 CB SER A 41 1.032 26.719 -6.903 1.00 64.43 C ATOM 616 OG SER A 41 1.668 26.139 -8.027 1.00 75.12 O ATOM 0 H SER A 41 0.055 27.106 -4.587 1.00 74.51 H new ATOM 0 HA SER A 41 -0.468 25.189 -6.729 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.338 27.492 -7.233 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.775 27.206 -6.271 1.00 64.43 H new ATOM 0 HG SER A 41 2.141 26.834 -8.530 1.00 75.12 H new ATOM 622 N THR A 42 2.292 25.023 -4.900 1.00 73.54 N ATOM 623 CA THR A 42 3.294 24.104 -4.377 1.00 45.04 C ATOM 624 C THR A 42 3.048 23.804 -2.903 1.00 34.20 C ATOM 625 O THR A 42 2.925 24.717 -2.086 1.00 34.44 O ATOM 626 CB THR A 42 4.717 24.668 -4.545 1.00 1.10 C ATOM 627 OG1 THR A 42 5.666 23.798 -3.917 1.00 15.30 O ATOM 628 CG2 THR A 42 4.821 26.061 -3.942 1.00 52.41 C ATOM 0 H THR A 42 2.465 26.004 -4.681 1.00 73.54 H new ATOM 0 HA THR A 42 3.208 23.182 -4.952 1.00 45.04 H new ATOM 0 HB THR A 42 4.935 24.734 -5.611 1.00 1.10 H new ATOM 0 HG1 THR A 42 6.569 24.163 -4.030 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.835 26.439 -4.072 1.00 52.41 H new ATOM 0 HG22 THR A 42 4.118 26.727 -4.442 1.00 52.41 H new ATOM 0 HG23 THR A 42 4.585 26.016 -2.879 1.00 52.41 H new ATOM 636 N LYS A 43 2.979 22.520 -2.568 1.00 53.21 N ATOM 637 CA LYS A 43 2.750 22.100 -1.190 1.00 62.12 C ATOM 638 C LYS A 43 4.072 21.845 -0.473 1.00 0.51 C ATOM 639 O LYS A 43 4.781 20.886 -0.781 1.00 42.43 O ATOM 640 CB LYS A 43 1.888 20.836 -1.158 1.00 42.01 C ATOM 641 CG LYS A 43 2.384 19.738 -2.083 1.00 13.53 C ATOM 642 CD LYS A 43 2.298 18.372 -1.424 1.00 24.00 C ATOM 643 CE LYS A 43 0.854 17.949 -1.203 1.00 21.13 C ATOM 644 NZ LYS A 43 0.061 18.000 -2.463 1.00 63.23 N1+ ATOM 0 H LYS A 43 3.078 21.752 -3.232 1.00 53.21 H new ATOM 0 HA LYS A 43 2.225 22.904 -0.673 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.857 20.453 -0.138 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.866 21.096 -1.432 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.793 19.739 -2.999 1.00 13.53 H new ATOM 0 HG3 LYS A 43 3.416 19.941 -2.369 1.00 13.53 H new ATOM 0 HD2 LYS A 43 2.803 17.634 -2.047 1.00 24.00 H new ATOM 0 HD3 LYS A 43 2.822 18.394 -0.468 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.830 16.937 -0.800 1.00 21.13 H new ATOM 0 HE3 LYS A 43 0.395 18.600 -0.459 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 -0.811 17.446 -2.347 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 -0.182 18.988 -2.680 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 0.622 17.602 -3.243 1.00 63.23 H new ATOM 658 N ILE A 44 4.396 22.708 0.484 1.00 50.11 N ATOM 659 CA ILE A 44 5.631 22.574 1.247 1.00 75.21 C ATOM 660 C ILE A 44 5.567 21.377 2.191 1.00 20.24 C ATOM 661 O ILE A 44 4.601 21.189 2.930 1.00 14.21 O ATOM 662 CB ILE A 44 5.928 23.843 2.066 1.00 5.22 C ATOM 663 CG1 ILE A 44 6.492 24.941 1.160 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.898 23.531 3.196 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.428 25.816 0.538 1.00 74.32 C ATOM 0 H ILE A 44 3.821 23.507 0.749 1.00 50.11 H new ATOM 0 HA ILE A 44 6.433 22.422 0.524 1.00 75.21 H new ATOM 0 HB ILE A 44 4.996 24.201 2.503 1.00 5.22 H new ATOM 0 HG12 ILE A 44 7.172 25.566 1.740 1.00 22.10 H new ATOM 0 HG13 ILE A 44 7.081 24.480 0.367 1.00 22.10 H new ATOM 0 HG21 ILE A 44 7.098 24.439 3.765 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.461 22.779 3.853 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.831 23.151 2.780 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.900 26.571 -0.091 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.762 25.203 -0.069 1.00 74.32 H new ATOM 0 HD13 ILE A 44 4.854 26.306 1.325 1.00 74.32 H new ATOM 677 N PRO A 45 6.622 20.549 2.168 1.00 42.30 N ATOM 678 CA PRO A 45 6.712 19.358 3.017 1.00 74.53 C ATOM 679 C PRO A 45 6.895 19.708 4.490 1.00 40.33 C ATOM 680 O PRO A 45 7.699 20.574 4.838 1.00 40.12 O ATOM 681 CB PRO A 45 7.950 18.633 2.482 1.00 11.42 C ATOM 682 CG PRO A 45 8.780 19.706 1.865 1.00 55.22 C ATOM 683 CD PRO A 45 7.809 20.713 1.312 1.00 3.34 C ATOM 0 HA PRO A 45 5.801 18.761 2.978 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.489 18.126 3.283 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.678 17.873 1.750 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.439 20.163 2.603 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.416 19.303 1.077 1.00 55.22 H new ATOM 0 HD2 PRO A 45 8.207 21.726 1.366 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.579 20.517 0.265 1.00 3.34 H new ATOM 691 N LEU A 46 6.143 19.030 5.352 1.00 54.51 N ATOM 692 CA LEU A 46 6.224 19.270 6.789 1.00 11.22 C ATOM 693 C LEU A 46 7.411 18.532 7.399 1.00 63.13 C ATOM 694 O LEU A 46 7.416 17.303 7.478 1.00 34.03 O ATOM 695 CB LEU A 46 4.928 18.828 7.472 1.00 1.32 C ATOM 696 CG LEU A 46 4.079 19.941 8.086 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.441 20.789 6.997 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.014 19.357 9.002 1.00 1.43 C ATOM 0 H LEU A 46 5.472 18.311 5.081 1.00 54.51 H new ATOM 0 HA LEU A 46 6.366 20.339 6.947 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.319 18.295 6.741 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.180 18.115 8.257 1.00 1.32 H new ATOM 0 HG LEU A 46 4.730 20.581 8.681 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.841 21.576 7.453 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.221 21.238 6.382 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.804 20.162 6.374 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.420 20.164 9.430 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.366 18.693 8.430 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.492 18.794 9.804 1.00 1.43 H new ATOM 710 N ILE A 47 8.413 19.290 7.830 1.00 41.44 N ATOM 711 CA ILE A 47 9.604 18.707 8.436 1.00 1.41 C ATOM 712 C ILE A 47 9.248 17.896 9.678 1.00 65.02 C ATOM 713 O ILE A 47 8.804 18.445 10.686 1.00 61.11 O ATOM 714 CB ILE A 47 10.627 19.792 8.821 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.932 20.686 7.618 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.903 19.154 9.350 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.477 19.932 6.426 1.00 52.21 C ATOM 0 H ILE A 47 8.424 20.308 7.771 1.00 41.44 H new ATOM 0 HA ILE A 47 10.048 18.048 7.690 1.00 1.41 H new ATOM 0 HB ILE A 47 10.199 20.410 9.610 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.021 21.206 7.323 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.652 21.448 7.916 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.616 19.934 9.618 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.672 18.555 10.231 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.336 18.515 8.581 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.670 20.630 5.611 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.406 19.434 6.704 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.749 19.188 6.102 1.00 52.21 H new ATOM 729 N LYS A 48 9.448 16.585 9.598 1.00 55.44 N ATOM 730 CA LYS A 48 9.153 15.697 10.716 1.00 2.01 C ATOM 731 C LYS A 48 10.205 15.831 11.811 1.00 4.04 C ATOM 732 O LYS A 48 11.387 15.570 11.586 1.00 74.51 O ATOM 733 CB LYS A 48 9.085 14.245 10.235 1.00 32.12 C ATOM 734 CG LYS A 48 8.379 13.316 11.207 1.00 21.33 C ATOM 735 CD LYS A 48 8.288 11.901 10.659 1.00 65.24 C ATOM 736 CE LYS A 48 7.473 11.000 11.575 1.00 55.25 C ATOM 737 NZ LYS A 48 7.768 9.559 11.341 1.00 34.55 N1+ ATOM 0 H LYS A 48 9.813 16.114 8.770 1.00 55.44 H new ATOM 0 HA LYS A 48 8.186 15.984 11.130 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.570 14.213 9.275 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.098 13.879 10.066 1.00 32.12 H new ATOM 0 HG2 LYS A 48 8.915 13.306 12.156 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.377 13.694 11.410 1.00 21.33 H new ATOM 0 HD2 LYS A 48 7.833 11.922 9.669 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.291 11.490 10.541 1.00 65.24 H new ATOM 0 HE2 LYS A 48 7.686 11.250 12.614 1.00 55.25 H new ATOM 0 HE3 LYS A 48 6.411 11.184 11.414 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 7.193 8.978 11.984 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 7.541 9.314 10.356 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 8.776 9.378 11.519 1.00 34.55 H new ATOM 751 N SER A 49 9.768 16.239 12.999 1.00 14.13 N ATOM 752 CA SER A 49 10.673 16.410 14.129 1.00 33.35 C ATOM 753 C SER A 49 10.729 15.143 14.976 1.00 3.20 C ATOM 754 O SER A 49 10.118 14.129 14.639 1.00 64.42 O ATOM 755 CB SER A 49 10.229 17.594 14.990 1.00 31.23 C ATOM 756 OG SER A 49 11.320 18.133 15.717 1.00 51.25 O ATOM 0 H SER A 49 8.793 16.457 13.203 1.00 14.13 H new ATOM 0 HA SER A 49 11.671 16.609 13.738 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.794 18.366 14.356 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.450 17.273 15.682 1.00 31.23 H new ATOM 0 HG SER A 49 11.011 18.889 16.258 1.00 51.25 H new ATOM 762 N HIS A 50 11.469 15.209 16.079 1.00 0.54 N ATOM 763 CA HIS A 50 11.606 14.067 16.977 1.00 22.21 C ATOM 764 C HIS A 50 10.324 13.845 17.774 1.00 65.22 C ATOM 765 O HIS A 50 10.058 12.741 18.245 1.00 14.41 O ATOM 766 CB HIS A 50 12.782 14.280 17.931 1.00 63.12 C ATOM 767 CG HIS A 50 13.365 13.004 18.456 1.00 21.12 C ATOM 768 ND1 HIS A 50 13.788 12.852 19.759 1.00 33.13 N ATOM 769 CD2 HIS A 50 13.593 11.818 17.846 1.00 30.03 C ATOM 770 CE1 HIS A 50 14.253 11.626 19.928 1.00 63.42 C ATOM 771 NE2 HIS A 50 14.145 10.978 18.782 1.00 44.14 N ATOM 0 H HIS A 50 11.982 16.040 16.372 1.00 0.54 H new ATOM 0 HA HIS A 50 11.794 13.181 16.371 1.00 22.21 H new ATOM 0 HB2 HIS A 50 13.561 14.841 17.415 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.452 14.892 18.771 1.00 63.12 H new ATOM 0 HD2 HIS A 50 13.380 11.577 16.815 1.00 30.03 H new ATOM 0 HE1 HIS A 50 14.653 11.223 20.847 1.00 63.42 H new ATOM 0 HE2 HIS A 50 14.426 10.011 18.619 1.00 44.14 H new ATOM 779 N ASN A 51 9.533 14.904 17.920 1.00 43.20 N ATOM 780 CA ASN A 51 8.279 14.825 18.660 1.00 41.32 C ATOM 781 C ASN A 51 7.090 14.734 17.709 1.00 42.34 C ATOM 782 O ASN A 51 6.273 13.818 17.805 1.00 61.52 O ATOM 783 CB ASN A 51 8.124 16.042 19.573 1.00 24.42 C ATOM 784 CG ASN A 51 6.763 16.095 20.241 1.00 75.52 C ATOM 785 OD1 ASN A 51 6.136 15.063 20.478 1.00 63.21 O ATOM 786 ND2 ASN A 51 6.302 17.302 20.549 1.00 63.41 N ATOM 0 H ASN A 51 9.739 15.826 17.536 1.00 43.20 H new ATOM 0 HA ASN A 51 8.303 13.922 19.270 1.00 41.32 H new ATOM 0 HB2 ASN A 51 8.900 16.020 20.338 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.276 16.951 18.991 1.00 24.42 H new ATOM 0 HD21 ASN A 51 5.393 17.401 21.001 1.00 63.41 H new ATOM 0 HD22 ASN A 51 6.857 18.130 20.333 1.00 63.41 H new ATOM 793 N ASP A 52 7.000 15.690 16.790 1.00 25.42 N ATOM 794 CA ASP A 52 5.912 15.718 15.820 1.00 63.14 C ATOM 795 C ASP A 52 6.335 16.452 14.551 1.00 70.31 C ATOM 796 O ASP A 52 7.490 16.855 14.410 1.00 74.35 O ATOM 797 CB ASP A 52 4.678 16.388 16.425 1.00 51.42 C ATOM 798 CG ASP A 52 4.250 15.745 17.729 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.784 14.587 17.693 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.381 16.401 18.784 1.00 34.01 O ATOM 0 H ASP A 52 7.668 16.455 16.697 1.00 25.42 H new ATOM 0 HA ASP A 52 5.665 14.689 15.558 1.00 63.14 H new ATOM 0 HB2 ASP A 52 4.889 17.444 16.596 1.00 51.42 H new ATOM 0 HB3 ASP A 52 3.855 16.339 15.712 1.00 51.42 H new ATOM 805 N PHE A 53 5.392 16.621 13.630 1.00 51.12 N ATOM 806 CA PHE A 53 5.668 17.305 12.372 1.00 12.33 C ATOM 807 C PHE A 53 5.632 18.819 12.555 1.00 22.10 C ATOM 808 O PHE A 53 4.838 19.343 13.337 1.00 32.20 O ATOM 809 CB PHE A 53 4.652 16.886 11.306 1.00 64.40 C ATOM 810 CG PHE A 53 4.902 15.515 10.746 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.728 15.341 9.648 1.00 54.43 C ATOM 812 CD2 PHE A 53 4.309 14.400 11.319 1.00 54.52 C ATOM 813 CE1 PHE A 53 5.958 14.080 9.130 1.00 14.33 C ATOM 814 CE2 PHE A 53 4.537 13.137 10.806 1.00 21.11 C ATOM 815 CZ PHE A 53 5.363 12.976 9.711 1.00 53.35 C ATOM 0 H PHE A 53 4.431 16.294 13.731 1.00 51.12 H new ATOM 0 HA PHE A 53 6.668 17.020 12.045 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.651 16.917 11.737 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.671 17.611 10.492 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.198 16.200 9.191 1.00 54.43 H new ATOM 0 HD2 PHE A 53 3.662 14.520 12.175 1.00 54.52 H new ATOM 0 HE1 PHE A 53 6.602 13.958 8.272 1.00 14.33 H new ATOM 0 HE2 PHE A 53 4.069 12.276 11.261 1.00 21.11 H new ATOM 0 HZ PHE A 53 5.544 11.990 9.310 1.00 53.35 H new ATOM 825 N VAL A 54 6.501 19.519 11.832 1.00 33.42 N ATOM 826 CA VAL A 54 6.570 20.972 11.914 1.00 40.41 C ATOM 827 C VAL A 54 7.001 21.578 10.584 1.00 3.45 C ATOM 828 O VAL A 54 7.890 21.056 9.911 1.00 74.24 O ATOM 829 CB VAL A 54 7.548 21.426 13.014 1.00 62.34 C ATOM 830 CG1 VAL A 54 6.956 21.176 14.392 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.886 20.717 12.862 1.00 4.44 C ATOM 0 H VAL A 54 7.167 19.102 11.182 1.00 33.42 H new ATOM 0 HA VAL A 54 5.568 21.323 12.161 1.00 40.41 H new ATOM 0 HB VAL A 54 7.716 22.498 12.907 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.661 21.503 15.156 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.025 21.734 14.495 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.756 20.111 14.515 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.565 21.049 13.647 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.738 19.640 12.942 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.314 20.953 11.888 1.00 4.44 H new ATOM 841 N ALA A 55 6.366 22.684 10.209 1.00 33.42 N ATOM 842 CA ALA A 55 6.686 23.363 8.960 1.00 64.34 C ATOM 843 C ALA A 55 6.773 24.872 9.163 1.00 43.12 C ATOM 844 O ALA A 55 5.820 25.502 9.621 1.00 20.33 O ATOM 845 CB ALA A 55 5.648 23.031 7.898 1.00 75.11 C ATOM 0 H ALA A 55 5.627 23.129 10.753 1.00 33.42 H new ATOM 0 HA ALA A 55 7.661 23.011 8.623 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.899 23.545 6.970 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.636 21.955 7.725 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.664 23.355 8.237 1.00 75.11 H new ATOM 851 N ILE A 56 7.922 25.445 8.818 1.00 4.32 N ATOM 852 CA ILE A 56 8.132 26.881 8.961 1.00 62.15 C ATOM 853 C ILE A 56 7.808 27.616 7.666 1.00 1.24 C ATOM 854 O ILE A 56 8.576 27.567 6.703 1.00 41.11 O ATOM 855 CB ILE A 56 9.581 27.199 9.372 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.928 26.497 10.686 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.778 28.702 9.499 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.621 25.166 10.497 1.00 22.53 C ATOM 0 H ILE A 56 8.721 24.937 8.438 1.00 4.32 H new ATOM 0 HA ILE A 56 7.458 27.222 9.746 1.00 62.15 H new ATOM 0 HB ILE A 56 10.252 26.829 8.597 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.569 27.150 11.279 1.00 12.24 H new ATOM 0 HG13 ILE A 56 9.013 26.343 11.258 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.807 28.911 9.790 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.568 29.179 8.542 1.00 20.32 H new ATOM 0 HG23 ILE A 56 9.100 29.095 10.256 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.836 24.726 11.471 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.974 24.496 9.931 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.553 25.315 9.952 1.00 22.53 H new ATOM 870 N LEU A 57 6.669 28.299 7.648 1.00 53.34 N ATOM 871 CA LEU A 57 6.245 29.047 6.470 1.00 41.32 C ATOM 872 C LEU A 57 6.784 30.475 6.507 1.00 4.44 C ATOM 873 O LEU A 57 7.323 30.918 7.522 1.00 25.01 O ATOM 874 CB LEU A 57 4.718 29.070 6.378 1.00 22.14 C ATOM 875 CG LEU A 57 4.038 27.715 6.179 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.529 27.851 6.309 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.407 27.126 4.826 1.00 54.43 C ATOM 0 H LEU A 57 6.023 28.350 8.435 1.00 53.34 H new ATOM 0 HA LEU A 57 6.649 28.548 5.589 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.326 29.521 7.290 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.433 29.722 5.552 1.00 22.14 H new ATOM 0 HG LEU A 57 4.390 27.036 6.956 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.062 26.877 6.164 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.282 28.228 7.301 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.160 28.546 5.555 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.914 26.162 4.702 1.00 54.43 H new ATOM 0 HD22 LEU A 57 4.085 27.803 4.035 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.487 26.991 4.770 1.00 54.43 H new ATOM 889 N ASP A 58 6.634 31.187 5.397 1.00 22.22 N ATOM 890 CA ASP A 58 7.102 32.566 5.304 1.00 23.10 C ATOM 891 C ASP A 58 5.976 33.494 4.860 1.00 53.11 C ATOM 892 O ASP A 58 5.689 33.613 3.668 1.00 71.11 O ATOM 893 CB ASP A 58 8.275 32.663 4.327 1.00 60.34 C ATOM 894 CG ASP A 58 7.941 32.093 2.962 1.00 4.33 C ATOM 895 OD1 ASP A 58 7.984 30.855 2.810 1.00 64.40 O1- ATOM 896 OD2 ASP A 58 7.637 32.885 2.046 1.00 31.41 O ATOM 0 H ASP A 58 6.192 30.833 4.548 1.00 22.22 H new ATOM 0 HA ASP A 58 7.436 32.878 6.294 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.569 33.707 4.219 1.00 60.34 H new ATOM 0 HB3 ASP A 58 9.132 32.131 4.740 1.00 60.34 H new ATOM 901 N LEU A 59 5.341 34.148 5.826 1.00 12.41 N ATOM 902 CA LEU A 59 4.244 35.065 5.536 1.00 61.11 C ATOM 903 C LEU A 59 4.555 36.466 6.052 1.00 53.10 C ATOM 904 O LEU A 59 5.332 36.650 6.989 1.00 43.12 O ATOM 905 CB LEU A 59 2.946 34.554 6.162 1.00 61.24 C ATOM 906 CG LEU A 59 2.787 33.036 6.231 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.470 32.667 6.897 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.873 32.426 4.839 1.00 1.12 C ATOM 0 H LEU A 59 5.567 34.061 6.817 1.00 12.41 H new ATOM 0 HA LEU A 59 4.122 35.115 4.454 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.872 34.953 7.174 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.108 34.962 5.596 1.00 61.24 H new ATOM 0 HG LEU A 59 3.601 32.632 6.833 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.374 31.582 6.937 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.448 33.071 7.909 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.643 33.083 6.322 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.758 31.344 4.908 1.00 1.12 H new ATOM 0 HD22 LEU A 59 2.081 32.836 4.212 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.842 32.660 4.398 1.00 1.12 H new ATOM 920 N PRO A 60 3.932 37.478 5.431 1.00 72.34 N ATOM 921 CA PRO A 60 4.125 38.880 5.813 1.00 43.15 C ATOM 922 C PRO A 60 3.504 39.203 7.168 1.00 50.24 C ATOM 923 O PRO A 60 4.178 39.153 8.197 1.00 44.12 O ATOM 924 CB PRO A 60 3.411 39.653 4.701 1.00 2.43 C ATOM 925 CG PRO A 60 2.390 38.704 4.177 1.00 40.55 C ATOM 926 CD PRO A 60 2.993 37.333 4.307 1.00 50.31 C ATOM 0 HA PRO A 60 5.180 39.132 5.916 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.947 40.561 5.085 1.00 2.43 H new ATOM 0 HB3 PRO A 60 4.108 39.957 3.920 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.462 38.777 4.744 1.00 40.55 H new ATOM 0 HG3 PRO A 60 2.147 38.927 3.138 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.234 36.578 4.512 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.504 37.031 3.393 1.00 50.31 H new ATOM 934 N GLU A 61 2.216 39.531 7.161 1.00 62.44 N ATOM 935 CA GLU A 61 1.505 39.860 8.392 1.00 50.50 C ATOM 936 C GLU A 61 0.031 40.134 8.111 1.00 12.05 C ATOM 937 O GLU A 61 -0.310 41.038 7.349 1.00 32.42 O ATOM 938 CB GLU A 61 2.142 41.078 9.064 1.00 73.34 C ATOM 939 CG GLU A 61 2.949 40.735 10.305 1.00 52.41 C ATOM 940 CD GLU A 61 4.401 41.156 10.192 1.00 72.55 C ATOM 941 OE1 GLU A 61 4.655 42.320 9.819 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 5.284 40.320 10.477 1.00 43.41 O ATOM 0 H GLU A 61 1.644 39.576 6.318 1.00 62.44 H new ATOM 0 HA GLU A 61 1.577 39.004 9.063 1.00 50.50 H new ATOM 0 HB2 GLU A 61 2.791 41.581 8.346 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.358 41.785 9.335 1.00 73.34 H new ATOM 0 HG2 GLU A 61 2.500 41.221 11.171 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.899 39.660 10.481 1.00 52.41 H new ATOM 949 N GLY A 62 -0.840 39.346 8.733 1.00 54.52 N ATOM 950 CA GLY A 62 -2.268 39.518 8.538 1.00 52.00 C ATOM 951 C GLY A 62 -3.041 38.229 8.737 1.00 61.55 C ATOM 952 O GLY A 62 -3.019 37.647 9.821 1.00 51.12 O ATOM 0 H GLY A 62 -0.582 38.591 9.369 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.638 40.271 9.234 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.451 39.896 7.532 1.00 52.00 H new ATOM 956 N GLU A 63 -3.724 37.782 7.688 1.00 53.44 N ATOM 957 CA GLU A 63 -4.509 36.555 7.755 1.00 52.42 C ATOM 958 C GLU A 63 -4.318 35.718 6.493 1.00 71.45 C ATOM 959 O GLU A 63 -4.411 36.259 5.392 1.00 35.41 O ATOM 960 CB GLU A 63 -5.991 36.880 7.945 1.00 13.45 C ATOM 961 CG GLU A 63 -6.911 35.697 7.698 1.00 1.11 C ATOM 962 CD GLU A 63 -8.319 35.934 8.208 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.482 36.754 9.136 1.00 35.44 O ATOM 964 OE2 GLU A 63 -9.257 35.300 7.682 1.00 62.20 O1- ATOM 0 H GLU A 63 -3.750 38.251 6.782 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.160 35.977 8.611 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.147 37.245 8.960 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.266 37.690 7.270 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.947 35.487 6.629 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.497 34.813 8.183 1.00 1.11 H new ATOM 971 N HIS A 64 -4.058 34.432 6.678 1.00 3.13 N ATOM 972 CA HIS A 64 -3.857 33.539 5.550 1.00 20.42 C ATOM 973 C HIS A 64 -4.454 32.167 5.869 1.00 42.53 C ATOM 974 O HIS A 64 -4.493 31.725 7.017 1.00 73.42 O ATOM 975 CB HIS A 64 -2.377 33.468 5.169 1.00 3.20 C ATOM 976 CG HIS A 64 -1.642 34.779 5.318 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.290 35.568 4.236 1.00 32.22 N ATOM 978 CD2 HIS A 64 -1.197 35.431 6.430 1.00 2.30 C ATOM 979 CE1 HIS A 64 -0.661 36.643 4.689 1.00 4.25 C ATOM 980 NE2 HIS A 64 -0.604 36.555 6.049 1.00 51.03 N ATOM 0 H HIS A 64 -3.982 33.987 7.593 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.378 33.929 4.676 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.888 32.716 5.789 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.294 33.132 4.135 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.308 35.090 7.449 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.264 37.447 4.087 1.00 4.25 H new ATOM 0 HE2 HIS A 64 -0.176 37.241 6.671 1.00 51.03 H new ATOM 988 N GLN A 65 -4.922 31.500 4.819 1.00 53.30 N ATOM 989 CA GLN A 65 -5.521 30.179 4.960 1.00 30.02 C ATOM 990 C GLN A 65 -4.497 29.083 4.681 1.00 12.33 C ATOM 991 O GLN A 65 -3.442 29.339 4.100 1.00 60.12 O ATOM 992 CB GLN A 65 -6.712 30.032 4.011 1.00 12.55 C ATOM 993 CG GLN A 65 -7.979 30.703 4.517 1.00 10.33 C ATOM 994 CD GLN A 65 -9.170 29.765 4.536 1.00 53.50 C ATOM 995 OE1 GLN A 65 -10.211 30.052 3.945 1.00 5.54 O ATOM 996 NE2 GLN A 65 -9.021 28.633 5.215 1.00 52.31 N ATOM 0 H GLN A 65 -4.898 31.853 3.862 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.868 30.074 5.988 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.448 30.456 3.042 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.911 28.972 3.852 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.806 31.085 5.523 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.208 31.561 3.885 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.140 28.436 5.690 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.787 27.961 5.261 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.814 27.863 5.100 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.920 26.729 4.898 1.00 44.05 C ATOM 1007 C TYR A 66 -4.647 25.412 5.150 1.00 74.13 C ATOM 1008 O TYR A 66 -5.779 25.395 5.632 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.706 26.840 5.820 1.00 51.25 C ATOM 1010 CG TYR A 66 -3.008 26.502 7.263 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.801 27.337 8.041 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.502 25.348 7.847 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -4.080 27.033 9.359 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.777 25.034 9.164 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.565 25.880 9.916 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.842 25.573 11.229 1.00 4.23 O ATOM 0 H TYR A 66 -5.683 27.634 5.582 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.582 26.744 3.862 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.922 26.175 5.456 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.313 27.855 5.768 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.206 28.239 7.607 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.883 24.685 7.261 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.697 27.693 9.950 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.377 24.131 9.602 1.00 54.24 H new ATOM 0 HH TYR A 66 -3.405 24.728 11.467 1.00 4.23 H new ATOM 1026 N LYS A 67 -3.985 24.306 4.822 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.564 22.983 5.013 1.00 53.24 C ATOM 1028 C LYS A 67 -3.478 21.950 5.297 1.00 15.33 C ATOM 1029 O LYS A 67 -2.289 22.220 5.121 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.364 22.569 3.776 1.00 51.31 C ATOM 1031 CG LYS A 67 -6.631 23.381 3.572 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.682 23.050 4.618 1.00 54.14 C ATOM 1033 CE LYS A 67 -8.451 21.788 4.256 1.00 21.22 C ATOM 1034 NZ LYS A 67 -7.810 20.567 4.818 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.047 24.301 4.422 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.233 23.028 5.872 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -4.732 22.670 2.894 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.628 21.515 3.860 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -6.394 24.444 3.617 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -7.033 23.186 2.578 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -7.203 22.920 5.588 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -8.376 23.885 4.715 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -9.472 21.866 4.628 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -8.513 21.699 3.171 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -7.532 19.932 4.042 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -6.967 20.837 5.363 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -8.483 20.077 5.442 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.893 20.767 5.736 1.00 0.43 N ATOM 1049 CA PHE A 68 -2.954 19.693 6.045 1.00 43.24 C ATOM 1050 C PHE A 68 -3.134 18.521 5.083 1.00 51.11 C ATOM 1051 O PHE A 68 -4.257 18.151 4.740 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.145 19.218 7.486 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.510 20.122 8.504 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.140 20.330 8.506 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -3.282 20.763 9.459 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.553 21.160 9.442 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.701 21.595 10.395 1.00 25.24 C ATOM 1058 CZ PHE A 68 -1.334 21.794 10.388 1.00 11.45 C ATOM 0 H PHE A 68 -4.873 20.527 5.886 1.00 0.43 H new ATOM 0 HA PHE A 68 -1.943 20.084 5.930 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.212 19.140 7.696 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.726 18.217 7.589 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.524 19.838 7.768 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.351 20.610 9.471 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.516 21.313 9.434 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -3.315 22.090 11.133 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.877 22.443 11.120 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.019 17.942 4.652 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.051 16.814 3.729 1.00 72.31 C ATOM 1070 C PHE A 69 -1.349 15.599 4.329 1.00 34.23 C ATOM 1071 O PHE A 69 -0.121 15.547 4.392 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.391 17.193 2.401 1.00 74.52 C ATOM 1073 CG PHE A 69 -1.982 16.488 1.214 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.349 16.514 0.985 1.00 34.50 C ATOM 1075 CD2 PHE A 69 -1.171 15.798 0.327 1.00 61.42 C ATOM 1076 CE1 PHE A 69 -3.894 15.866 -0.106 1.00 50.31 C ATOM 1077 CE2 PHE A 69 -1.712 15.147 -0.766 1.00 54.41 C ATOM 1078 CZ PHE A 69 -3.075 15.182 -0.983 1.00 73.11 C ATOM 0 H PHE A 69 -1.082 18.235 4.927 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.095 16.557 3.548 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.479 18.270 2.255 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.326 16.965 2.456 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -3.995 17.047 1.667 1.00 34.50 H new ATOM 0 HD2 PHE A 69 -0.104 15.769 0.492 1.00 61.42 H new ATOM 0 HE1 PHE A 69 -4.961 15.894 -0.273 1.00 50.31 H new ATOM 0 HE2 PHE A 69 -1.069 14.612 -1.449 1.00 54.41 H new ATOM 0 HZ PHE A 69 -3.500 14.675 -1.837 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.139 14.625 4.770 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.594 13.410 5.366 1.00 12.31 C ATOM 1090 C VAL A 70 -2.077 12.170 4.622 1.00 74.44 C ATOM 1091 O VAL A 70 -3.277 11.967 4.445 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.986 13.289 6.850 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.254 12.125 7.502 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.696 14.590 7.584 1.00 33.01 C ATOM 0 H VAL A 70 -3.158 14.653 4.726 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.509 13.478 5.289 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.057 13.094 6.911 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.543 12.055 8.551 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.515 11.199 6.991 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.178 12.287 7.433 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.979 14.488 8.632 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.632 14.817 7.516 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.269 15.399 7.131 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.132 11.342 4.188 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.459 10.120 3.465 1.00 43.14 C ATOM 1106 C ASP A 71 -2.384 10.416 2.288 1.00 50.35 C ATOM 1107 O ASP A 71 -3.262 9.619 1.959 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.116 9.106 4.403 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.777 7.674 4.036 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -1.238 7.456 2.931 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -2.051 6.772 4.855 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.133 11.496 4.325 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.532 9.697 3.078 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -1.796 9.301 5.426 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -3.198 9.239 4.377 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.182 11.569 1.658 1.00 50.22 N ATOM 1117 CA GLY A 72 -3.007 11.951 0.526 1.00 61.42 C ATOM 1118 C GLY A 72 -4.458 12.161 0.912 1.00 44.45 C ATOM 1119 O GLY A 72 -5.358 11.951 0.100 1.00 1.33 O ATOM 0 H GLY A 72 -1.462 12.246 1.911 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.614 12.868 0.087 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.946 11.179 -0.241 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.685 12.575 2.154 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.038 12.811 2.645 1.00 43.53 C ATOM 1125 C GLN A 73 -6.133 14.159 3.352 1.00 15.15 C ATOM 1126 O GLN A 73 -5.208 14.570 4.053 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.460 11.691 3.598 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.747 10.373 2.898 1.00 40.22 C ATOM 1129 CD GLN A 73 -7.757 10.515 1.777 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -7.569 9.979 0.684 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -8.837 11.241 2.041 1.00 65.41 N ATOM 0 H GLN A 73 -3.950 12.754 2.839 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.712 12.822 1.788 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.673 11.537 4.336 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.350 12.005 4.143 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -5.818 9.970 2.496 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -7.118 9.652 3.627 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -8.953 11.667 2.960 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -9.551 11.372 1.324 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.255 14.843 3.161 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.471 16.146 3.781 1.00 50.15 C ATOM 1142 C TRP A 74 -7.932 15.991 5.227 1.00 34.22 C ATOM 1143 O TRP A 74 -8.931 15.327 5.502 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.503 16.947 2.986 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.181 17.048 1.526 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.604 16.212 0.534 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.365 18.042 0.896 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.100 16.626 -0.677 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.337 17.746 -0.481 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.657 19.154 1.361 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -6.629 18.523 -1.395 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -5.953 19.923 0.453 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -5.945 19.605 -0.912 1.00 51.10 C ATOM 0 H TRP A 74 -8.029 14.518 2.582 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.523 16.684 3.778 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.482 16.482 3.103 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.574 17.951 3.405 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.241 15.352 0.678 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.267 16.172 -1.575 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.660 19.408 2.411 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -6.620 18.280 -2.447 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.400 20.783 0.801 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.387 20.227 -1.597 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.197 16.611 6.146 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.533 16.543 7.563 1.00 44.01 C ATOM 1166 C VAL A 75 -7.299 17.885 8.248 1.00 31.52 C ATOM 1167 O VAL A 75 -6.439 18.664 7.834 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.707 15.461 8.284 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.204 14.072 7.911 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.229 15.612 7.957 1.00 31.10 C ATOM 0 H VAL A 75 -6.367 17.165 5.935 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.590 16.285 7.626 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.833 15.590 9.359 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.608 13.321 8.430 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.250 13.970 8.201 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -7.110 13.929 6.834 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.661 14.839 8.475 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -5.082 15.511 6.882 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.883 16.594 8.280 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.069 18.149 9.299 1.00 63.01 N ATOM 1181 CA HIS A 76 -7.945 19.398 10.043 1.00 74.30 C ATOM 1182 C HIS A 76 -7.371 19.146 11.434 1.00 62.21 C ATOM 1183 O HIS A 76 -7.431 18.030 11.948 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.305 20.085 10.156 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.195 19.486 11.201 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.972 18.369 10.977 1.00 13.43 N ATOM 1187 CD2 HIS A 76 -10.427 19.853 12.483 1.00 41.33 C ATOM 1188 CE1 HIS A 76 -11.645 18.077 12.075 1.00 11.05 C ATOM 1189 NE2 HIS A 76 -11.331 18.962 13.005 1.00 32.15 N ATOM 0 H HIS A 76 -8.785 17.515 9.655 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.261 20.050 9.500 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.152 21.140 10.383 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.809 20.036 9.191 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -9.983 20.691 12.999 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.335 17.255 12.193 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -11.700 18.980 13.956 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.815 20.191 12.037 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.230 20.084 13.369 1.00 33.21 C ATOM 1199 C ASP A 77 -7.196 20.605 14.430 1.00 70.34 C ATOM 1200 O ASP A 77 -7.680 21.735 14.362 1.00 64.41 O ATOM 1201 CB ASP A 77 -4.914 20.860 13.435 1.00 62.43 C ATOM 1202 CG ASP A 77 -3.974 20.314 14.493 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -4.409 20.167 15.655 1.00 41.33 O ATOM 1204 OD2 ASP A 77 -2.804 20.034 14.159 1.00 44.05 O1- ATOM 0 H ASP A 77 -6.757 21.122 11.625 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.032 19.031 13.569 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.424 20.822 12.462 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.124 21.909 13.645 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.485 19.762 15.432 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.396 20.115 16.526 1.00 45.12 C ATOM 1211 C PRO A 78 -7.805 21.172 17.453 1.00 52.21 C ATOM 1212 O PRO A 78 -8.529 21.829 18.201 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.583 18.792 17.272 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.353 18.009 16.969 1.00 2.41 C ATOM 1215 CD PRO A 78 -6.945 18.399 15.576 1.00 33.02 C ATOM 0 HA PRO A 78 -9.327 20.548 16.159 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.695 18.954 18.344 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.478 18.270 16.934 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.562 18.233 17.684 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.547 16.938 17.033 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.862 18.381 15.454 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.361 17.721 14.831 1.00 33.02 H new ATOM 1223 N SER A 79 -6.486 21.330 17.398 1.00 35.34 N ATOM 1224 CA SER A 79 -5.799 22.305 18.237 1.00 5.14 C ATOM 1225 C SER A 79 -5.815 23.686 17.588 1.00 2.34 C ATOM 1226 O SER A 79 -5.773 24.706 18.276 1.00 53.41 O ATOM 1227 CB SER A 79 -4.355 21.864 18.487 1.00 42.01 C ATOM 1228 OG SER A 79 -4.261 21.067 19.656 1.00 3.14 O ATOM 0 H SER A 79 -5.873 20.796 16.782 1.00 35.34 H new ATOM 0 HA SER A 79 -6.325 22.364 19.190 1.00 5.14 H new ATOM 0 HB2 SER A 79 -3.989 21.301 17.628 1.00 42.01 H new ATOM 0 HB3 SER A 79 -3.716 22.741 18.588 1.00 42.01 H new ATOM 0 HG SER A 79 -3.329 20.796 19.793 1.00 3.14 H new ATOM 1234 N GLU A 80 -5.878 23.709 16.260 1.00 34.21 N ATOM 1235 CA GLU A 80 -5.899 24.966 15.519 1.00 31.11 C ATOM 1236 C GLU A 80 -7.317 25.308 15.070 1.00 4.43 C ATOM 1237 O GLU A 80 -8.196 24.450 14.998 1.00 53.10 O ATOM 1238 CB GLU A 80 -4.973 24.882 14.305 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.527 25.231 14.615 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.349 26.685 15.004 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.216 27.531 14.096 1.00 54.30 O1- ATOM 1242 OE2 GLU A 80 -3.342 26.977 16.218 1.00 23.05 O ATOM 0 H GLU A 80 -5.915 22.874 15.676 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.546 25.756 16.182 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.014 23.872 13.897 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.342 25.554 13.530 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.169 24.596 15.425 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -2.910 25.014 13.743 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.544 26.594 14.763 1.00 71.34 N ATOM 1250 CA PRO A 81 -8.853 27.080 14.315 1.00 12.23 C ATOM 1251 C PRO A 81 -9.212 26.580 12.920 1.00 54.22 C ATOM 1252 O PRO A 81 -8.363 26.529 12.030 1.00 51.34 O ATOM 1253 CB PRO A 81 -8.683 28.601 14.310 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.220 28.818 14.130 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.542 27.670 14.826 1.00 34.31 C ATOM 0 HA PRO A 81 -9.660 26.729 14.958 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.254 29.060 13.503 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.037 29.042 15.242 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -6.957 28.844 13.073 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -6.911 29.771 14.559 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.616 27.387 14.325 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.284 27.920 15.855 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.475 26.210 12.735 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.946 25.716 11.447 1.00 44.45 C ATOM 1265 C VAL A 82 -12.067 26.591 10.899 1.00 64.55 C ATOM 1266 O VAL A 82 -12.877 27.127 11.655 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.450 24.264 11.554 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.372 23.366 12.144 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.721 24.201 12.385 1.00 72.14 C ATOM 0 H VAL A 82 -11.191 26.243 13.461 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.096 25.750 10.765 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.681 23.904 10.552 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.746 22.345 12.212 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.490 23.388 11.504 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.107 23.722 13.139 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.063 23.168 12.450 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.520 24.580 13.387 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.494 24.810 11.915 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.108 26.732 9.578 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.131 27.542 8.926 1.00 1.01 C ATOM 1281 C VAL A 83 -14.031 26.684 8.043 1.00 10.44 C ATOM 1282 O VAL A 83 -13.789 25.490 7.863 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.503 28.658 8.071 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.495 29.453 8.886 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.851 28.072 6.827 1.00 11.55 C ATOM 0 H VAL A 83 -11.444 26.296 8.938 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.729 27.995 9.717 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.294 29.338 7.754 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -11.062 30.237 8.265 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.995 29.904 9.743 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.705 28.789 9.235 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.412 28.874 6.234 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -11.071 27.370 7.121 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.602 27.551 6.233 1.00 11.55 H new ATOM 1295 N THR A 84 -15.072 27.301 7.493 1.00 44.21 N ATOM 1296 CA THR A 84 -16.009 26.595 6.629 1.00 74.32 C ATOM 1297 C THR A 84 -16.183 27.319 5.298 1.00 53.33 C ATOM 1298 O THR A 84 -16.786 28.390 5.238 1.00 51.12 O ATOM 1299 CB THR A 84 -17.387 26.442 7.300 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.233 26.372 8.723 1.00 23.43 O ATOM 1301 CG2 THR A 84 -18.097 25.193 6.800 1.00 25.03 C ATOM 0 H THR A 84 -15.287 28.288 7.631 1.00 44.21 H new ATOM 0 HA THR A 84 -15.588 25.606 6.450 1.00 74.32 H new ATOM 0 HB THR A 84 -17.991 27.312 7.042 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.113 26.277 9.143 1.00 23.43 H new ATOM 0 HG21 THR A 84 -19.068 25.106 7.288 1.00 25.03 H new ATOM 0 HG22 THR A 84 -18.238 25.262 5.721 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.495 24.315 7.032 1.00 25.03 H new ATOM 1309 N SER A 85 -15.652 26.726 4.233 1.00 12.31 N ATOM 1310 CA SER A 85 -15.746 27.316 2.904 1.00 62.15 C ATOM 1311 C SER A 85 -17.189 27.319 2.411 1.00 62.25 C ATOM 1312 O SER A 85 -18.067 26.715 3.028 1.00 25.40 O ATOM 1313 CB SER A 85 -14.860 26.551 1.919 1.00 73.20 C ATOM 1314 OG SER A 85 -13.529 27.035 1.948 1.00 45.01 O ATOM 0 H SER A 85 -15.152 25.837 4.266 1.00 12.31 H new ATOM 0 HA SER A 85 -15.400 28.348 2.967 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.870 25.489 2.165 1.00 73.20 H new ATOM 0 HB3 SER A 85 -15.264 26.648 0.911 1.00 73.20 H new ATOM 0 HG SER A 85 -12.983 26.529 1.311 1.00 45.01 H new ATOM 1320 N GLN A 86 -17.427 28.002 1.295 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.764 28.083 0.720 1.00 2.41 C ATOM 1322 C GLN A 86 -19.216 26.723 0.198 1.00 50.10 C ATOM 1323 O GLN A 86 -20.413 26.457 0.083 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.793 29.112 -0.412 1.00 4.33 C ATOM 1325 CG GLN A 86 -18.129 30.432 -0.053 1.00 61.13 C ATOM 1326 CD GLN A 86 -18.750 31.083 1.167 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -18.318 30.852 2.296 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.770 31.905 0.944 1.00 50.44 N ATOM 0 H GLN A 86 -16.711 28.507 0.772 1.00 54.44 H new ATOM 0 HA GLN A 86 -19.452 28.397 1.505 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -18.297 28.691 -1.287 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.829 29.301 -0.693 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.068 30.263 0.130 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -18.201 31.113 -0.901 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -20.095 32.067 -0.009 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -20.228 32.374 1.726 1.00 50.44 H new ATOM 1337 N LEU A 87 -18.252 25.865 -0.116 1.00 53.55 N ATOM 1338 CA LEU A 87 -18.551 24.532 -0.626 1.00 32.15 C ATOM 1339 C LEU A 87 -19.004 23.607 0.500 1.00 71.20 C ATOM 1340 O LEU A 87 -19.568 22.543 0.254 1.00 72.13 O ATOM 1341 CB LEU A 87 -17.322 23.942 -1.320 1.00 52.11 C ATOM 1342 CG LEU A 87 -17.560 22.679 -2.147 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -17.961 23.039 -3.570 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -16.318 21.799 -2.150 1.00 21.21 C ATOM 0 H LEU A 87 -17.257 26.069 -0.026 1.00 53.55 H new ATOM 0 HA LEU A 87 -19.362 24.621 -1.349 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -16.897 24.705 -1.973 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -16.573 23.719 -0.560 1.00 52.11 H new ATOM 0 HG LEU A 87 -18.377 22.120 -1.690 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -18.126 22.127 -4.143 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -18.879 23.627 -3.552 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -17.166 23.621 -4.036 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -16.507 20.905 -2.744 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -15.482 22.351 -2.581 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -16.074 21.511 -1.128 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.754 24.023 1.739 1.00 42.12 N ATOM 1357 CA GLY A 88 -19.144 23.223 2.884 1.00 24.33 C ATOM 1358 C GLY A 88 -18.022 22.331 3.378 1.00 1.42 C ATOM 1359 O GLY A 88 -18.256 21.384 4.128 1.00 3.52 O ATOM 0 H GLY A 88 -18.288 24.901 1.969 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -19.463 23.882 3.692 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -20.003 22.607 2.617 1.00 24.33 H new ATOM 1363 N THR A 89 -16.798 22.634 2.956 1.00 71.55 N ATOM 1364 CA THR A 89 -15.636 21.851 3.357 1.00 55.20 C ATOM 1365 C THR A 89 -14.860 22.552 4.467 1.00 10.24 C ATOM 1366 O THR A 89 -14.652 23.764 4.422 1.00 41.43 O ATOM 1367 CB THR A 89 -14.692 21.598 2.167 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.997 22.802 1.826 1.00 42.53 O ATOM 1369 CG2 THR A 89 -15.467 21.094 0.959 1.00 71.24 C ATOM 0 H THR A 89 -16.586 23.416 2.337 1.00 71.55 H new ATOM 0 HA THR A 89 -16.009 20.895 3.725 1.00 55.20 H new ATOM 0 HB THR A 89 -13.971 20.835 2.461 1.00 22.31 H new ATOM 0 HG1 THR A 89 -13.398 22.631 1.070 1.00 42.53 H new ATOM 0 HG21 THR A 89 -14.779 20.922 0.131 1.00 71.24 H new ATOM 0 HG22 THR A 89 -15.969 20.161 1.213 1.00 71.24 H new ATOM 0 HG23 THR A 89 -16.209 21.837 0.666 1.00 71.24 H new ATOM 1377 N ILE A 90 -14.432 21.780 5.460 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.677 22.326 6.581 1.00 62.33 C ATOM 1379 C ILE A 90 -12.261 22.703 6.157 1.00 55.32 C ATOM 1380 O ILE A 90 -11.614 21.978 5.404 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.602 21.327 7.750 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -15.008 20.917 8.189 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.833 21.932 8.915 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.866 22.080 8.635 1.00 10.43 C ATOM 0 H ILE A 90 -14.595 20.774 5.511 1.00 15.44 H new ATOM 0 HA ILE A 90 -14.206 23.220 6.912 1.00 62.33 H new ATOM 0 HB ILE A 90 -13.072 20.436 7.414 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.503 20.407 7.363 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.930 20.200 9.006 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.789 21.214 9.734 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.821 22.179 8.594 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.338 22.837 9.253 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.849 21.714 8.932 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.393 22.577 9.482 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.975 22.788 7.813 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.786 23.844 6.649 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.446 24.317 6.322 1.00 52.40 C ATOM 1398 C ASN A 91 -9.740 24.850 7.565 1.00 14.34 C ATOM 1399 O ASN A 91 -10.290 24.819 8.665 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.515 25.410 5.253 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.503 24.845 3.846 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -10.605 23.633 3.652 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -10.378 25.722 2.858 1.00 51.12 N ATOM 0 H ASN A 91 -12.309 24.457 7.275 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.874 23.474 5.934 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.421 25.999 5.397 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.671 26.089 5.376 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -10.363 25.401 1.890 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -10.297 26.717 3.067 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.516 25.336 7.381 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.734 25.875 8.487 1.00 25.44 C ATOM 1412 C ASN A 92 -7.349 27.328 8.224 1.00 42.41 C ATOM 1413 O ASN A 92 -7.033 27.703 7.094 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.474 25.033 8.706 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.752 23.545 8.619 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.994 22.797 8.002 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.842 23.109 9.240 1.00 64.12 N ATOM 0 H ASN A 92 -8.045 25.367 6.477 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.349 25.838 9.386 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.725 25.304 7.962 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.051 25.264 9.683 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -8.080 22.117 9.217 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.442 23.766 9.740 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.377 28.140 9.274 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.031 29.553 9.158 1.00 13.40 C ATOM 1426 C LEU A 93 -5.852 29.900 10.061 1.00 33.45 C ATOM 1427 O LEU A 93 -5.807 29.492 11.223 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.236 30.425 9.514 1.00 61.04 C ATOM 1429 CG LEU A 93 -7.968 31.927 9.625 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.512 32.489 8.288 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.211 32.655 10.115 1.00 44.50 C ATOM 0 H LEU A 93 -7.636 27.845 10.216 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.743 29.748 8.125 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -9.008 30.269 8.760 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.643 30.078 10.464 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.170 32.081 10.351 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.326 33.558 8.387 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.595 31.989 7.977 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.287 32.323 7.540 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.002 33.722 10.188 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.029 32.492 9.413 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.494 32.273 11.096 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.903 30.659 9.523 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.727 31.064 10.283 1.00 23.02 C ATOM 1445 C ILE A 94 -3.449 32.554 10.112 1.00 33.42 C ATOM 1446 O ILE A 94 -3.441 33.071 8.994 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.480 30.269 9.855 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.250 30.755 10.625 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.257 30.397 8.355 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.359 29.632 11.111 1.00 55.11 C ATOM 0 H ILE A 94 -4.926 31.006 8.564 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.940 30.854 11.331 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.641 29.217 10.089 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.669 31.418 9.984 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.577 31.345 11.481 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.372 29.829 8.069 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.125 30.007 7.824 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.114 31.446 8.097 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.493 30.050 11.648 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.925 28.981 11.778 1.00 55.11 H new ATOM 0 HD13 ILE A 94 -0.002 29.055 10.258 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.220 33.239 11.228 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.939 34.670 11.202 1.00 3.12 C ATOM 1464 C HIS A 95 -1.482 34.943 11.562 1.00 23.15 C ATOM 1465 O HIS A 95 -0.895 34.246 12.389 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.863 35.410 12.171 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.314 35.308 11.810 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.324 35.800 12.609 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.922 34.768 10.727 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.491 35.565 12.035 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.273 34.941 10.892 1.00 25.13 N ATOM 0 H HIS A 95 -3.224 32.827 12.161 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.120 35.033 10.190 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.718 35.011 13.175 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.577 36.461 12.201 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.191 36.272 13.504 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.434 34.290 9.890 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.458 35.837 12.433 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.904 35.963 10.935 1.00 71.41 N ATOM 1480 CA VAL A 96 0.484 36.329 11.189 1.00 30.12 C ATOM 1481 C VAL A 96 0.577 37.689 11.872 1.00 32.13 C ATOM 1482 O VAL A 96 0.037 38.681 11.383 1.00 62.43 O ATOM 1483 CB VAL A 96 1.302 36.366 9.884 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.752 36.724 10.173 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.208 35.032 9.159 1.00 60.41 C ATOM 0 H VAL A 96 -1.376 36.550 10.247 1.00 71.41 H new ATOM 0 HA VAL A 96 0.898 35.565 11.848 1.00 30.12 H new ATOM 0 HB VAL A 96 0.885 37.136 9.235 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.314 36.745 9.240 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.797 37.705 10.646 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.185 35.979 10.840 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.792 35.076 8.239 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.599 34.241 9.800 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.166 34.822 8.918 1.00 60.41 H new ATOM 1495 N LYS A 97 1.266 37.728 13.008 1.00 13.43 N ATOM 1496 CA LYS A 97 1.433 38.966 13.761 1.00 32.32 C ATOM 1497 C LYS A 97 2.853 39.503 13.615 1.00 33.23 C ATOM 1498 O LYS A 97 3.817 38.737 13.575 1.00 53.25 O ATOM 1499 CB LYS A 97 1.112 38.735 15.239 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.375 38.627 15.529 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.643 38.475 17.016 1.00 41.45 C ATOM 1502 CE LYS A 97 -0.164 37.127 17.534 1.00 62.22 C ATOM 1503 NZ LYS A 97 -0.322 37.011 19.010 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.718 36.916 13.428 1.00 13.43 H new ATOM 0 HA LYS A 97 0.741 39.705 13.357 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.606 37.822 15.571 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.529 39.554 15.825 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.885 39.515 15.155 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.790 37.772 14.994 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -0.141 39.275 17.561 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -1.711 38.581 17.207 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -0.725 36.330 17.045 1.00 62.22 H new ATOM 0 HE3 LYS A 97 0.884 36.988 17.269 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 0.016 36.078 19.323 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 0.233 37.755 19.478 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -1.326 37.118 19.261 1.00 53.42 H new ATOM 1517 N LYS A 98 2.976 40.823 13.539 1.00 54.02 N ATOM 1518 CA LYS A 98 4.279 41.464 13.401 1.00 54.22 C ATOM 1519 C LYS A 98 5.034 41.450 14.726 1.00 33.52 C ATOM 1520 O LYS A 98 4.809 42.300 15.589 1.00 54.13 O ATOM 1521 CB LYS A 98 4.113 42.905 12.912 1.00 72.45 C ATOM 1522 CG LYS A 98 3.112 43.711 13.722 1.00 22.24 C ATOM 1523 CD LYS A 98 1.859 44.013 12.920 1.00 61.03 C ATOM 1524 CE LYS A 98 2.162 44.910 11.728 1.00 12.11 C ATOM 1525 NZ LYS A 98 1.476 46.228 11.837 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.189 41.471 13.571 1.00 54.02 H new ATOM 0 HA LYS A 98 4.857 40.902 12.667 1.00 54.22 H new ATOM 0 HB2 LYS A 98 5.081 43.405 12.945 1.00 72.45 H new ATOM 0 HB3 LYS A 98 3.797 42.892 11.869 1.00 72.45 H new ATOM 0 HG2 LYS A 98 2.844 43.159 14.623 1.00 22.24 H new ATOM 0 HG3 LYS A 98 3.572 44.645 14.045 1.00 22.24 H new ATOM 0 HD2 LYS A 98 1.415 43.080 12.571 1.00 61.03 H new ATOM 0 HD3 LYS A 98 1.122 44.496 13.562 1.00 61.03 H new ATOM 0 HE2 LYS A 98 3.238 45.066 11.655 1.00 12.11 H new ATOM 0 HE3 LYS A 98 1.849 44.412 10.810 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 1.708 46.810 11.006 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 0.447 46.081 11.881 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 1.794 46.714 12.700 1.00 62.45 H new