USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 583 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 23 SER OG : rot -88:sc= 0.946 USER MOD Single : A 31 TYR OH : rot 145:sc= -0.27 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 85:sc= 0.0212 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.809 K(o=-0.81,f=-0.12) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -6.13! K(o=-6.1!,f=-1.4) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.438 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.42 K(o=-1.4,f=-13!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -139:sc= -0.406 (180deg=-2.18!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.116 K(o=-0.12,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 21.104 31.353 -15.725 1.00 63.25 N ATOM 247 CA GLU A 20 20.016 31.253 -14.761 1.00 34.14 C ATOM 248 C GLU A 20 18.689 31.665 -15.392 1.00 41.43 C ATOM 249 O GLU A 20 18.103 32.693 -15.051 1.00 61.10 O ATOM 250 CB GLU A 20 20.305 32.128 -13.539 1.00 62.41 C ATOM 251 CG GLU A 20 20.660 33.563 -13.889 1.00 25.02 C ATOM 252 CD GLU A 20 22.133 33.739 -14.206 1.00 72.21 C ATOM 253 OE1 GLU A 20 22.886 32.750 -14.089 1.00 64.44 O ATOM 254 OE2 GLU A 20 22.531 34.865 -14.571 1.00 25.53 O ATOM 0 HA GLU A 20 19.941 30.213 -14.445 1.00 34.14 H new ATOM 0 HB2 GLU A 20 19.431 32.127 -12.887 1.00 62.41 H new ATOM 0 HB3 GLU A 20 21.126 31.687 -12.973 1.00 62.41 H new ATOM 0 HG2 GLU A 20 20.067 33.881 -14.747 1.00 25.02 H new ATOM 0 HG3 GLU A 20 20.391 34.213 -13.057 1.00 25.02 H new ATOM 261 N PRO A 21 18.204 30.846 -16.337 1.00 32.23 N ATOM 262 CA PRO A 21 16.942 31.104 -17.036 1.00 72.15 C ATOM 263 C PRO A 21 15.730 30.934 -16.127 1.00 75.03 C ATOM 264 O PRO A 21 14.624 31.357 -16.464 1.00 65.24 O ATOM 265 CB PRO A 21 16.930 30.050 -18.146 1.00 72.05 C ATOM 266 CG PRO A 21 17.787 28.946 -17.630 1.00 52.21 C ATOM 267 CD PRO A 21 18.849 29.604 -16.794 1.00 24.34 C ATOM 0 HA PRO A 21 16.881 32.129 -17.402 1.00 72.15 H new ATOM 0 HB2 PRO A 21 15.917 29.702 -18.351 1.00 72.05 H new ATOM 0 HB3 PRO A 21 17.323 30.453 -19.079 1.00 72.05 H new ATOM 0 HG2 PRO A 21 17.203 28.243 -17.036 1.00 52.21 H new ATOM 0 HG3 PRO A 21 18.230 28.380 -18.449 1.00 52.21 H new ATOM 0 HD2 PRO A 21 19.148 28.975 -15.956 1.00 24.34 H new ATOM 0 HD3 PRO A 21 19.748 29.809 -17.375 1.00 24.34 H new ATOM 275 N GLY A 22 15.944 30.312 -14.972 1.00 4.12 N ATOM 276 CA GLY A 22 14.860 30.098 -14.032 1.00 33.21 C ATOM 277 C GLY A 22 14.707 31.244 -13.052 1.00 14.10 C ATOM 278 O GLY A 22 13.979 31.133 -12.065 1.00 43.21 O ATOM 0 H GLY A 22 16.850 29.952 -14.670 1.00 4.12 H new ATOM 0 HA2 GLY A 22 13.928 29.967 -14.581 1.00 33.21 H new ATOM 0 HA3 GLY A 22 15.038 29.174 -13.481 1.00 33.21 H new ATOM 282 N SER A 23 15.395 32.348 -13.323 1.00 40.32 N ATOM 283 CA SER A 23 15.337 33.518 -12.455 1.00 14.23 C ATOM 284 C SER A 23 13.951 34.157 -12.496 1.00 24.54 C ATOM 285 O SER A 23 13.327 34.243 -13.552 1.00 15.43 O ATOM 286 CB SER A 23 16.395 34.542 -12.871 1.00 32.24 C ATOM 287 OG SER A 23 16.363 34.769 -14.269 1.00 70.41 O ATOM 0 H SER A 23 16.000 32.457 -14.137 1.00 40.32 H new ATOM 0 HA SER A 23 15.538 33.192 -11.434 1.00 14.23 H new ATOM 0 HB2 SER A 23 16.225 35.480 -12.343 1.00 32.24 H new ATOM 0 HB3 SER A 23 17.384 34.187 -12.580 1.00 32.24 H new ATOM 0 HG SER A 23 16.948 34.124 -14.719 1.00 70.41 H new ATOM 293 N GLY A 24 13.477 34.602 -11.336 1.00 5.30 N ATOM 294 CA GLY A 24 12.170 35.227 -11.260 1.00 33.10 C ATOM 295 C GLY A 24 11.283 34.590 -10.208 1.00 4.31 C ATOM 296 O GLY A 24 10.062 34.737 -10.243 1.00 74.15 O ATOM 0 H GLY A 24 13.975 34.541 -10.448 1.00 5.30 H new ATOM 0 HA2 GLY A 24 12.290 36.287 -11.036 1.00 33.10 H new ATOM 0 HA3 GLY A 24 11.681 35.160 -12.232 1.00 33.10 H new ATOM 300 N VAL A 25 11.899 33.879 -9.269 1.00 4.44 N ATOM 301 CA VAL A 25 11.158 33.217 -8.202 1.00 3.22 C ATOM 302 C VAL A 25 11.952 33.216 -6.900 1.00 52.31 C ATOM 303 O VAL A 25 13.181 33.292 -6.910 1.00 54.32 O ATOM 304 CB VAL A 25 10.809 31.765 -8.579 1.00 4.14 C ATOM 305 CG1 VAL A 25 9.812 31.181 -7.589 1.00 43.52 C ATOM 306 CG2 VAL A 25 10.266 31.699 -9.998 1.00 13.22 C ATOM 0 H VAL A 25 12.909 33.747 -9.226 1.00 4.44 H new ATOM 0 HA VAL A 25 10.235 33.780 -8.061 1.00 3.22 H new ATOM 0 HB VAL A 25 11.720 31.168 -8.535 1.00 4.14 H new ATOM 0 HG11 VAL A 25 9.577 30.155 -7.872 1.00 43.52 H new ATOM 0 HG12 VAL A 25 10.244 31.192 -6.588 1.00 43.52 H new ATOM 0 HG13 VAL A 25 8.900 31.777 -7.597 1.00 43.52 H new ATOM 0 HG21 VAL A 25 10.025 30.666 -10.248 1.00 13.22 H new ATOM 0 HG22 VAL A 25 9.366 32.310 -10.072 1.00 13.22 H new ATOM 0 HG23 VAL A 25 11.017 32.074 -10.693 1.00 13.22 H new ATOM 316 N ARG A 26 11.241 33.129 -5.780 1.00 42.34 N ATOM 317 CA ARG A 26 11.879 33.119 -4.470 1.00 1.25 C ATOM 318 C ARG A 26 11.464 31.886 -3.672 1.00 54.23 C ATOM 319 O ARG A 26 10.457 31.904 -2.963 1.00 24.03 O ATOM 320 CB ARG A 26 11.518 34.387 -3.693 1.00 42.03 C ATOM 321 CG ARG A 26 11.935 34.346 -2.232 1.00 45.23 C ATOM 322 CD ARG A 26 12.535 35.671 -1.787 1.00 21.20 C ATOM 323 NE ARG A 26 11.513 36.609 -1.331 1.00 33.43 N ATOM 324 CZ ARG A 26 11.727 37.910 -1.175 1.00 15.30 C ATOM 325 NH1 ARG A 26 12.919 38.426 -1.438 1.00 25.30 N ATOM 326 NH2 ARG A 26 10.746 38.700 -0.756 1.00 34.52 N ATOM 0 H ARG A 26 10.223 33.064 -5.754 1.00 42.34 H new ATOM 0 HA ARG A 26 12.958 33.088 -4.620 1.00 1.25 H new ATOM 0 HB2 ARG A 26 11.991 35.244 -4.173 1.00 42.03 H new ATOM 0 HB3 ARG A 26 10.441 34.544 -3.750 1.00 42.03 H new ATOM 0 HG2 ARG A 26 11.070 34.110 -1.612 1.00 45.23 H new ATOM 0 HG3 ARG A 26 12.662 33.548 -2.082 1.00 45.23 H new ATOM 0 HD2 ARG A 26 13.249 35.494 -0.983 1.00 21.20 H new ATOM 0 HD3 ARG A 26 13.090 36.114 -2.614 1.00 21.20 H new ATOM 0 HE ARG A 26 10.584 36.245 -1.121 1.00 33.43 H new ATOM 0 HH11 ARG A 26 13.676 37.823 -1.761 1.00 25.30 H new ATOM 0 HH12 ARG A 26 13.080 39.426 -1.317 1.00 25.30 H new ATOM 0 HH21 ARG A 26 9.827 38.308 -0.553 1.00 34.52 H new ATOM 0 HH22 ARG A 26 10.912 39.699 -0.637 1.00 34.52 H new ATOM 340 N ILE A 27 12.244 30.818 -3.795 1.00 3.11 N ATOM 341 CA ILE A 27 11.958 29.577 -3.086 1.00 14.45 C ATOM 342 C ILE A 27 12.169 29.741 -1.584 1.00 64.13 C ATOM 343 O ILE A 27 13.055 30.477 -1.148 1.00 32.53 O ATOM 344 CB ILE A 27 12.839 28.421 -3.594 1.00 41.51 C ATOM 345 CG1 ILE A 27 12.780 28.339 -5.121 1.00 15.22 C ATOM 346 CG2 ILE A 27 12.399 27.106 -2.970 1.00 23.33 C ATOM 347 CD1 ILE A 27 13.657 27.253 -5.702 1.00 61.11 C ATOM 0 H ILE A 27 13.079 30.787 -4.379 1.00 3.11 H new ATOM 0 HA ILE A 27 10.913 29.337 -3.280 1.00 14.45 H new ATOM 0 HB ILE A 27 13.871 28.613 -3.299 1.00 41.51 H new ATOM 0 HG12 ILE A 27 11.749 28.165 -5.428 1.00 15.22 H new ATOM 0 HG13 ILE A 27 13.079 29.300 -5.540 1.00 15.22 H new ATOM 0 HG21 ILE A 27 13.031 26.299 -3.339 1.00 23.33 H new ATOM 0 HG22 ILE A 27 12.488 27.170 -1.886 1.00 23.33 H new ATOM 0 HG23 ILE A 27 11.362 26.905 -3.238 1.00 23.33 H new ATOM 0 HD11 ILE A 27 13.565 27.253 -6.788 1.00 61.11 H new ATOM 0 HD12 ILE A 27 14.695 27.437 -5.426 1.00 61.11 H new ATOM 0 HD13 ILE A 27 13.344 26.285 -5.312 1.00 61.11 H new ATOM 359 N VAL A 28 11.351 29.048 -0.798 1.00 4.51 N ATOM 360 CA VAL A 28 11.451 29.114 0.655 1.00 14.13 C ATOM 361 C VAL A 28 11.048 27.790 1.294 1.00 73.30 C ATOM 362 O VAL A 28 9.864 27.524 1.504 1.00 1.01 O ATOM 363 CB VAL A 28 10.566 30.238 1.228 1.00 23.30 C ATOM 364 CG1 VAL A 28 10.728 30.327 2.738 1.00 53.32 C ATOM 365 CG2 VAL A 28 10.901 31.567 0.568 1.00 35.10 C ATOM 0 H VAL A 28 10.612 28.435 -1.143 1.00 4.51 H new ATOM 0 HA VAL A 28 12.494 29.326 0.891 1.00 14.13 H new ATOM 0 HB VAL A 28 9.524 30.003 1.012 1.00 23.30 H new ATOM 0 HG11 VAL A 28 10.096 31.126 3.125 1.00 53.32 H new ATOM 0 HG12 VAL A 28 10.435 29.380 3.192 1.00 53.32 H new ATOM 0 HG13 VAL A 28 11.769 30.539 2.980 1.00 53.32 H new ATOM 0 HG21 VAL A 28 10.267 32.350 0.984 1.00 35.10 H new ATOM 0 HG22 VAL A 28 11.947 31.811 0.752 1.00 35.10 H new ATOM 0 HG23 VAL A 28 10.729 31.493 -0.506 1.00 35.10 H new ATOM 375 N VAL A 29 12.041 26.961 1.602 1.00 55.14 N ATOM 376 CA VAL A 29 11.790 25.664 2.218 1.00 23.14 C ATOM 377 C VAL A 29 11.505 25.810 3.709 1.00 63.11 C ATOM 378 O VAL A 29 12.423 25.969 4.513 1.00 11.11 O ATOM 379 CB VAL A 29 12.985 24.711 2.026 1.00 3.23 C ATOM 380 CG1 VAL A 29 12.671 23.338 2.600 1.00 4.14 C ATOM 381 CG2 VAL A 29 13.355 24.611 0.554 1.00 32.10 C ATOM 0 H VAL A 29 13.026 27.165 1.435 1.00 55.14 H new ATOM 0 HA VAL A 29 10.915 25.242 1.723 1.00 23.14 H new ATOM 0 HB VAL A 29 13.841 25.116 2.565 1.00 3.23 H new ATOM 0 HG11 VAL A 29 13.527 22.679 2.455 1.00 4.14 H new ATOM 0 HG12 VAL A 29 12.459 23.429 3.665 1.00 4.14 H new ATOM 0 HG13 VAL A 29 11.802 22.921 2.092 1.00 4.14 H new ATOM 0 HG21 VAL A 29 14.201 23.934 0.437 1.00 32.10 H new ATOM 0 HG22 VAL A 29 12.504 24.229 -0.010 1.00 32.10 H new ATOM 0 HG23 VAL A 29 13.626 25.598 0.179 1.00 32.10 H new ATOM 391 N GLU A 30 10.227 25.754 4.070 1.00 60.13 N ATOM 392 CA GLU A 30 9.822 25.880 5.465 1.00 55.44 C ATOM 393 C GLU A 30 9.922 24.538 6.184 1.00 14.41 C ATOM 394 O GLU A 30 9.145 23.620 5.919 1.00 44.11 O ATOM 395 CB GLU A 30 8.391 26.415 5.557 1.00 50.45 C ATOM 396 CG GLU A 30 8.082 27.103 6.876 1.00 72.22 C ATOM 397 CD GLU A 30 6.637 27.551 6.975 1.00 13.34 C ATOM 398 OE1 GLU A 30 5.979 27.671 5.920 1.00 3.01 O ATOM 399 OE2 GLU A 30 6.163 27.783 8.107 1.00 22.44 O ATOM 0 H GLU A 30 9.455 25.622 3.416 1.00 60.13 H new ATOM 0 HA GLU A 30 10.498 26.584 5.951 1.00 55.44 H new ATOM 0 HB2 GLU A 30 8.222 27.118 4.742 1.00 50.45 H new ATOM 0 HB3 GLU A 30 7.694 25.589 5.415 1.00 50.45 H new ATOM 0 HG2 GLU A 30 8.305 26.422 7.698 1.00 72.22 H new ATOM 0 HG3 GLU A 30 8.735 27.968 6.992 1.00 72.22 H new ATOM 406 N TYR A 31 10.883 24.433 7.095 1.00 74.51 N ATOM 407 CA TYR A 31 11.087 23.203 7.851 1.00 61.41 C ATOM 408 C TYR A 31 11.523 23.508 9.281 1.00 50.13 C ATOM 409 O TYR A 31 11.990 24.608 9.579 1.00 55.02 O ATOM 410 CB TYR A 31 12.134 22.325 7.163 1.00 30.43 C ATOM 411 CG TYR A 31 13.531 22.902 7.205 1.00 13.22 C ATOM 412 CD1 TYR A 31 14.387 22.625 8.264 1.00 72.31 C ATOM 413 CD2 TYR A 31 13.994 23.726 6.187 1.00 10.20 C ATOM 414 CE1 TYR A 31 15.663 23.151 8.307 1.00 65.30 C ATOM 415 CE2 TYR A 31 15.270 24.255 6.221 1.00 55.30 C ATOM 416 CZ TYR A 31 16.100 23.965 7.283 1.00 64.10 C ATOM 417 OH TYR A 31 17.371 24.491 7.321 1.00 2.32 O ATOM 0 H TYR A 31 11.533 25.184 7.328 1.00 74.51 H new ATOM 0 HA TYR A 31 10.139 22.667 7.886 1.00 61.41 H new ATOM 0 HB2 TYR A 31 12.141 21.344 7.637 1.00 30.43 H new ATOM 0 HB3 TYR A 31 11.843 22.175 6.123 1.00 30.43 H new ATOM 0 HD1 TYR A 31 14.048 21.987 9.067 1.00 72.31 H new ATOM 0 HD2 TYR A 31 13.346 23.957 5.355 1.00 10.20 H new ATOM 0 HE1 TYR A 31 16.315 22.926 9.138 1.00 65.30 H new ATOM 0 HE2 TYR A 31 15.615 24.892 5.420 1.00 55.30 H new ATOM 0 HH TYR A 31 17.735 24.533 6.412 1.00 2.32 H new ATOM 427 N CYS A 32 11.368 22.526 10.162 1.00 31.21 N ATOM 428 CA CYS A 32 11.745 22.687 11.561 1.00 33.42 C ATOM 429 C CYS A 32 13.262 22.660 11.722 1.00 11.25 C ATOM 430 O CYS A 32 13.875 21.594 11.738 1.00 23.44 O ATOM 431 CB CYS A 32 11.111 21.584 12.412 1.00 61.13 C ATOM 432 SG CYS A 32 11.600 21.624 14.166 1.00 10.51 S ATOM 0 H CYS A 32 10.984 21.610 9.932 1.00 31.21 H new ATOM 0 HA CYS A 32 11.378 23.655 11.901 1.00 33.42 H new ATOM 0 HB2 CYS A 32 10.026 21.668 12.346 1.00 61.13 H new ATOM 0 HB3 CYS A 32 11.382 20.615 11.992 1.00 61.13 H new ATOM 437 N GLU A 33 13.860 23.842 11.842 1.00 75.41 N ATOM 438 CA GLU A 33 15.305 23.953 12.001 1.00 13.33 C ATOM 439 C GLU A 33 15.789 23.112 13.179 1.00 53.11 C ATOM 440 O GLU A 33 16.572 22.174 13.024 1.00 15.43 O ATOM 441 CB GLU A 33 15.706 25.416 12.206 1.00 61.41 C ATOM 442 CG GLU A 33 16.248 26.079 10.951 1.00 3.21 C ATOM 443 CD GLU A 33 16.645 27.524 11.181 1.00 44.54 C ATOM 444 OE1 GLU A 33 16.725 27.937 12.357 1.00 44.54 O ATOM 445 OE2 GLU A 33 16.876 28.242 10.185 1.00 12.33 O ATOM 0 H GLU A 33 13.366 24.735 11.832 1.00 75.41 H new ATOM 0 HA GLU A 33 15.775 23.578 11.092 1.00 13.33 H new ATOM 0 HB2 GLU A 33 14.839 25.976 12.557 1.00 61.41 H new ATOM 0 HB3 GLU A 33 16.460 25.471 12.991 1.00 61.41 H new ATOM 0 HG2 GLU A 33 17.113 25.521 10.594 1.00 3.21 H new ATOM 0 HG3 GLU A 33 15.493 26.034 10.166 1.00 3.21 H new ATOM 452 N PRO A 34 15.313 23.455 14.385 1.00 30.43 N ATOM 453 CA PRO A 34 15.683 22.744 15.613 1.00 1.30 C ATOM 454 C PRO A 34 15.093 21.340 15.671 1.00 72.45 C ATOM 455 O PRO A 34 14.362 21.000 16.602 1.00 70.25 O ATOM 456 CB PRO A 34 15.091 23.619 16.721 1.00 21.10 C ATOM 457 CG PRO A 34 13.960 24.339 16.071 1.00 4.45 C ATOM 458 CD PRO A 34 14.377 24.561 14.644 1.00 55.34 C ATOM 0 HA PRO A 34 16.761 22.602 15.692 1.00 1.30 H new ATOM 0 HB2 PRO A 34 14.746 23.015 17.560 1.00 21.10 H new ATOM 0 HB3 PRO A 34 15.831 24.316 17.113 1.00 21.10 H new ATOM 0 HG2 PRO A 34 13.043 23.753 16.123 1.00 4.45 H new ATOM 0 HG3 PRO A 34 13.761 25.287 16.572 1.00 4.45 H new ATOM 0 HD2 PRO A 34 13.523 24.532 13.967 1.00 55.34 H new ATOM 0 HD3 PRO A 34 14.855 25.531 14.512 1.00 55.34 H new ATOM 466 N CYS A 35 15.414 20.526 14.670 1.00 3.31 N ATOM 467 CA CYS A 35 14.916 19.158 14.606 1.00 21.42 C ATOM 468 C CYS A 35 15.920 18.246 13.907 1.00 72.53 C ATOM 469 O CYS A 35 16.190 17.136 14.364 1.00 72.21 O ATOM 470 CB CYS A 35 13.574 19.115 13.873 1.00 61.12 C ATOM 471 SG CYS A 35 12.171 19.740 14.852 1.00 2.14 S ATOM 0 H CYS A 35 16.018 20.791 13.892 1.00 3.31 H new ATOM 0 HA CYS A 35 14.776 18.801 15.626 1.00 21.42 H new ATOM 0 HB2 CYS A 35 13.654 19.701 12.957 1.00 61.12 H new ATOM 0 HB3 CYS A 35 13.367 18.087 13.577 1.00 61.12 H new ATOM 476 N GLY A 36 16.470 18.723 12.794 1.00 32.21 N ATOM 477 CA GLY A 36 17.437 17.938 12.049 1.00 2.53 C ATOM 478 C GLY A 36 16.969 17.624 10.642 1.00 10.33 C ATOM 479 O GLY A 36 17.354 16.607 10.065 1.00 52.44 O ATOM 0 H GLY A 36 16.263 19.639 12.395 1.00 32.21 H new ATOM 0 HA2 GLY A 36 18.381 18.480 12.002 1.00 2.53 H new ATOM 0 HA3 GLY A 36 17.631 17.006 12.580 1.00 2.53 H new ATOM 483 N PHE A 37 16.135 18.498 10.089 1.00 15.21 N ATOM 484 CA PHE A 37 15.611 18.308 8.742 1.00 73.44 C ATOM 485 C PHE A 37 16.480 19.025 7.713 1.00 3.35 C ATOM 486 O PHE A 37 16.187 19.008 6.518 1.00 4.55 O ATOM 487 CB PHE A 37 14.171 18.819 8.654 1.00 20.52 C ATOM 488 CG PHE A 37 13.157 17.846 9.185 1.00 13.55 C ATOM 489 CD1 PHE A 37 13.184 17.454 10.514 1.00 74.30 C ATOM 490 CD2 PHE A 37 12.176 17.326 8.357 1.00 60.04 C ATOM 491 CE1 PHE A 37 12.252 16.559 11.005 1.00 71.20 C ATOM 492 CE2 PHE A 37 11.241 16.431 8.842 1.00 23.12 C ATOM 493 CZ PHE A 37 11.279 16.048 10.168 1.00 32.35 C ATOM 0 H PHE A 37 15.807 19.345 10.553 1.00 15.21 H new ATOM 0 HA PHE A 37 15.625 17.240 8.522 1.00 73.44 H new ATOM 0 HB2 PHE A 37 14.091 19.754 9.209 1.00 20.52 H new ATOM 0 HB3 PHE A 37 13.937 19.044 7.614 1.00 20.52 H new ATOM 0 HD1 PHE A 37 13.941 17.852 11.173 1.00 74.30 H new ATOM 0 HD2 PHE A 37 12.141 17.624 7.319 1.00 60.04 H new ATOM 0 HE1 PHE A 37 12.284 16.259 12.042 1.00 71.20 H new ATOM 0 HE2 PHE A 37 10.482 16.032 8.185 1.00 23.12 H new ATOM 0 HZ PHE A 37 10.549 15.350 10.550 1.00 32.35 H new ATOM 503 N GLU A 38 17.550 19.655 8.189 1.00 42.24 N ATOM 504 CA GLU A 38 18.462 20.380 7.311 1.00 55.02 C ATOM 505 C GLU A 38 19.194 19.422 6.376 1.00 22.33 C ATOM 506 O GLU A 38 19.662 19.816 5.308 1.00 34.52 O ATOM 507 CB GLU A 38 19.473 21.178 8.136 1.00 1.11 C ATOM 508 CG GLU A 38 20.067 22.362 7.392 1.00 53.32 C ATOM 509 CD GLU A 38 21.130 23.084 8.197 1.00 61.22 C ATOM 510 OE1 GLU A 38 20.830 23.503 9.334 1.00 34.24 O ATOM 511 OE2 GLU A 38 22.262 23.230 7.690 1.00 72.41 O ATOM 0 H GLU A 38 17.806 19.678 9.176 1.00 42.24 H new ATOM 0 HA GLU A 38 17.872 21.070 6.707 1.00 55.02 H new ATOM 0 HB2 GLU A 38 18.987 21.537 9.043 1.00 1.11 H new ATOM 0 HB3 GLU A 38 20.279 20.514 8.448 1.00 1.11 H new ATOM 0 HG2 GLU A 38 20.500 22.016 6.453 1.00 53.32 H new ATOM 0 HG3 GLU A 38 19.272 23.062 7.137 1.00 53.32 H new ATOM 518 N ALA A 39 19.290 18.162 6.787 1.00 23.54 N ATOM 519 CA ALA A 39 19.964 17.146 5.987 1.00 3.34 C ATOM 520 C ALA A 39 19.333 17.029 4.604 1.00 2.12 C ATOM 521 O ALA A 39 19.969 16.566 3.657 1.00 43.03 O ATOM 522 CB ALA A 39 19.929 15.803 6.701 1.00 5.11 C ATOM 0 H ALA A 39 18.910 17.820 7.669 1.00 23.54 H new ATOM 0 HA ALA A 39 21.003 17.450 5.859 1.00 3.34 H new ATOM 0 HB1 ALA A 39 20.436 15.054 6.092 1.00 5.11 H new ATOM 0 HB2 ALA A 39 20.433 15.890 7.664 1.00 5.11 H new ATOM 0 HB3 ALA A 39 18.893 15.502 6.859 1.00 5.11 H new ATOM 528 N THR A 40 18.077 17.451 4.494 1.00 22.10 N ATOM 529 CA THR A 40 17.359 17.391 3.227 1.00 3.41 C ATOM 530 C THR A 40 17.394 18.737 2.512 1.00 40.13 C ATOM 531 O THR A 40 17.378 18.798 1.282 1.00 32.01 O ATOM 532 CB THR A 40 15.892 16.969 3.432 1.00 41.50 C ATOM 533 OG1 THR A 40 15.830 15.795 4.249 1.00 74.02 O ATOM 534 CG2 THR A 40 15.215 16.701 2.097 1.00 54.34 C ATOM 0 H THR A 40 17.536 17.838 5.267 1.00 22.10 H new ATOM 0 HA THR A 40 17.862 16.643 2.613 1.00 3.41 H new ATOM 0 HB THR A 40 15.368 17.785 3.929 1.00 41.50 H new ATOM 0 HG1 THR A 40 14.894 15.534 4.376 1.00 74.02 H new ATOM 0 HG21 THR A 40 14.180 16.405 2.267 1.00 54.34 H new ATOM 0 HG22 THR A 40 15.238 17.606 1.489 1.00 54.34 H new ATOM 0 HG23 THR A 40 15.741 15.901 1.577 1.00 54.34 H new ATOM 542 N TYR A 41 17.443 19.813 3.288 1.00 14.55 N ATOM 543 CA TYR A 41 17.478 21.159 2.728 1.00 10.24 C ATOM 544 C TYR A 41 18.873 21.498 2.213 1.00 3.31 C ATOM 545 O TYR A 41 19.033 22.335 1.323 1.00 4.15 O ATOM 546 CB TYR A 41 17.048 22.183 3.780 1.00 54.41 C ATOM 547 CG TYR A 41 17.228 23.618 3.337 1.00 24.15 C ATOM 548 CD1 TYR A 41 16.350 24.203 2.434 1.00 40.00 C ATOM 549 CD2 TYR A 41 18.277 24.388 3.824 1.00 4.40 C ATOM 550 CE1 TYR A 41 16.512 25.513 2.027 1.00 70.04 C ATOM 551 CE2 TYR A 41 18.446 25.700 3.423 1.00 22.33 C ATOM 552 CZ TYR A 41 17.561 26.257 2.524 1.00 3.31 C ATOM 553 OH TYR A 41 17.725 27.563 2.122 1.00 62.01 O ATOM 0 H TYR A 41 17.459 19.780 4.307 1.00 14.55 H new ATOM 0 HA TYR A 41 16.782 21.195 1.890 1.00 10.24 H new ATOM 0 HB2 TYR A 41 16.000 22.017 4.029 1.00 54.41 H new ATOM 0 HB3 TYR A 41 17.622 22.018 4.692 1.00 54.41 H new ATOM 0 HD1 TYR A 41 15.526 23.624 2.043 1.00 40.00 H new ATOM 0 HD2 TYR A 41 18.972 23.954 4.528 1.00 4.40 H new ATOM 0 HE1 TYR A 41 15.821 25.952 1.323 1.00 70.04 H new ATOM 0 HE2 TYR A 41 19.266 26.285 3.811 1.00 22.33 H new ATOM 0 HH TYR A 41 18.510 27.946 2.566 1.00 62.01 H new ATOM 563 N LEU A 42 19.881 20.842 2.778 1.00 51.11 N ATOM 564 CA LEU A 42 21.264 21.072 2.376 1.00 24.04 C ATOM 565 C LEU A 42 21.647 20.175 1.203 1.00 0.42 C ATOM 566 O LEU A 42 22.534 20.510 0.419 1.00 61.54 O ATOM 567 CB LEU A 42 22.207 20.819 3.555 1.00 53.34 C ATOM 568 CG LEU A 42 23.459 21.695 3.612 1.00 21.31 C ATOM 569 CD1 LEU A 42 23.079 23.166 3.685 1.00 65.51 C ATOM 570 CD2 LEU A 42 24.327 21.307 4.800 1.00 20.53 C ATOM 0 H LEU A 42 19.766 20.147 3.516 1.00 51.11 H new ATOM 0 HA LEU A 42 21.357 22.111 2.060 1.00 24.04 H new ATOM 0 HB2 LEU A 42 21.647 20.960 4.479 1.00 53.34 H new ATOM 0 HB3 LEU A 42 22.519 19.775 3.527 1.00 53.34 H new ATOM 0 HG LEU A 42 24.033 21.535 2.700 1.00 21.31 H new ATOM 0 HD11 LEU A 42 23.983 23.774 3.725 1.00 65.51 H new ATOM 0 HD12 LEU A 42 22.499 23.436 2.803 1.00 65.51 H new ATOM 0 HD13 LEU A 42 22.483 23.344 4.580 1.00 65.51 H new ATOM 0 HD21 LEU A 42 25.214 21.941 4.825 1.00 20.53 H new ATOM 0 HD22 LEU A 42 23.761 21.438 5.722 1.00 20.53 H new ATOM 0 HD23 LEU A 42 24.629 20.264 4.705 1.00 20.53 H new ATOM 582 N GLU A 43 20.970 19.037 1.090 1.00 61.05 N ATOM 583 CA GLU A 43 21.239 18.094 0.011 1.00 61.43 C ATOM 584 C GLU A 43 20.721 18.628 -1.321 1.00 54.03 C ATOM 585 O GLU A 43 21.206 18.247 -2.387 1.00 40.24 O ATOM 586 CB GLU A 43 20.595 16.739 0.315 1.00 52.50 C ATOM 587 CG GLU A 43 21.491 15.803 1.108 1.00 45.24 C ATOM 588 CD GLU A 43 22.445 15.022 0.225 1.00 71.15 C ATOM 589 OE1 GLU A 43 22.039 14.640 -0.893 1.00 42.24 O ATOM 590 OE2 GLU A 43 23.596 14.792 0.651 1.00 72.02 O ATOM 0 H GLU A 43 20.232 18.746 1.731 1.00 61.05 H new ATOM 0 HA GLU A 43 22.319 17.966 -0.064 1.00 61.43 H new ATOM 0 HB2 GLU A 43 19.672 16.902 0.871 1.00 52.50 H new ATOM 0 HB3 GLU A 43 20.321 16.258 -0.624 1.00 52.50 H new ATOM 0 HG2 GLU A 43 22.064 16.382 1.833 1.00 45.24 H new ATOM 0 HG3 GLU A 43 20.872 15.106 1.674 1.00 45.24 H new ATOM 597 N LEU A 44 19.731 19.512 -1.252 1.00 63.14 N ATOM 598 CA LEU A 44 19.145 20.099 -2.452 1.00 42.42 C ATOM 599 C LEU A 44 19.643 21.526 -2.659 1.00 12.44 C ATOM 600 O LEU A 44 19.651 22.036 -3.779 1.00 33.41 O ATOM 601 CB LEU A 44 17.619 20.088 -2.356 1.00 14.31 C ATOM 602 CG LEU A 44 17.006 21.009 -1.300 1.00 20.34 C ATOM 603 CD1 LEU A 44 16.767 22.396 -1.875 1.00 15.04 C ATOM 604 CD2 LEU A 44 15.708 20.419 -0.766 1.00 45.03 C ATOM 0 H LEU A 44 19.318 19.838 -0.378 1.00 63.14 H new ATOM 0 HA LEU A 44 19.453 19.499 -3.308 1.00 42.42 H new ATOM 0 HB2 LEU A 44 17.212 20.363 -3.329 1.00 14.31 H new ATOM 0 HB3 LEU A 44 17.295 19.068 -2.151 1.00 14.31 H new ATOM 0 HG LEU A 44 17.709 21.098 -0.472 1.00 20.34 H new ATOM 0 HD11 LEU A 44 16.331 23.037 -1.109 1.00 15.04 H new ATOM 0 HD12 LEU A 44 17.714 22.821 -2.207 1.00 15.04 H new ATOM 0 HD13 LEU A 44 16.084 22.326 -2.722 1.00 15.04 H new ATOM 0 HD21 LEU A 44 15.286 21.088 -0.016 1.00 45.03 H new ATOM 0 HD22 LEU A 44 14.999 20.299 -1.585 1.00 45.03 H new ATOM 0 HD23 LEU A 44 15.909 19.447 -0.314 1.00 45.03 H new ATOM 616 N ALA A 45 20.059 22.166 -1.570 1.00 62.44 N ATOM 617 CA ALA A 45 20.563 23.532 -1.633 1.00 15.13 C ATOM 618 C ALA A 45 21.869 23.601 -2.416 1.00 22.33 C ATOM 619 O ALA A 45 22.265 24.666 -2.889 1.00 23.13 O ATOM 620 CB ALA A 45 20.756 24.088 -0.230 1.00 30.25 C ATOM 0 H ALA A 45 20.057 21.760 -0.634 1.00 62.44 H new ATOM 0 HA ALA A 45 19.825 24.141 -2.155 1.00 15.13 H new ATOM 0 HB1 ALA A 45 21.133 25.109 -0.292 1.00 30.25 H new ATOM 0 HB2 ALA A 45 19.802 24.085 0.297 1.00 30.25 H new ATOM 0 HB3 ALA A 45 21.472 23.469 0.311 1.00 30.25 H new ATOM 626 N SER A 46 22.535 22.458 -2.548 1.00 61.11 N ATOM 627 CA SER A 46 23.800 22.390 -3.270 1.00 61.42 C ATOM 628 C SER A 46 23.568 22.060 -4.742 1.00 5.02 C ATOM 629 O SER A 46 24.446 22.262 -5.580 1.00 45.10 O ATOM 630 CB SER A 46 24.716 21.339 -2.639 1.00 10.43 C ATOM 631 OG SER A 46 25.063 21.697 -1.312 1.00 34.41 O ATOM 0 H SER A 46 22.220 21.567 -2.165 1.00 61.11 H new ATOM 0 HA SER A 46 24.280 23.366 -3.205 1.00 61.42 H new ATOM 0 HB2 SER A 46 24.217 20.370 -2.639 1.00 10.43 H new ATOM 0 HB3 SER A 46 25.620 21.232 -3.239 1.00 10.43 H new ATOM 0 HG SER A 46 24.365 21.389 -0.697 1.00 34.41 H new ATOM 637 N ALA A 47 22.379 21.551 -5.048 1.00 5.14 N ATOM 638 CA ALA A 47 22.030 21.195 -6.417 1.00 43.02 C ATOM 639 C ALA A 47 21.139 22.258 -7.051 1.00 21.03 C ATOM 640 O ALA A 47 21.070 22.376 -8.274 1.00 42.21 O ATOM 641 CB ALA A 47 21.342 19.838 -6.451 1.00 5.32 C ATOM 0 H ALA A 47 21.641 21.376 -4.366 1.00 5.14 H new ATOM 0 HA ALA A 47 22.951 21.138 -6.997 1.00 43.02 H new ATOM 0 HB1 ALA A 47 21.087 19.585 -7.480 1.00 5.32 H new ATOM 0 HB2 ALA A 47 22.013 19.080 -6.046 1.00 5.32 H new ATOM 0 HB3 ALA A 47 20.433 19.876 -5.851 1.00 5.32 H new ATOM 647 N VAL A 48 20.457 23.030 -6.210 1.00 61.51 N ATOM 648 CA VAL A 48 19.570 24.083 -6.688 1.00 50.30 C ATOM 649 C VAL A 48 20.358 25.326 -7.087 1.00 71.10 C ATOM 650 O VAL A 48 19.948 26.077 -7.973 1.00 22.15 O ATOM 651 CB VAL A 48 18.530 24.469 -5.619 1.00 42.33 C ATOM 652 CG1 VAL A 48 19.205 25.156 -4.441 1.00 73.33 C ATOM 653 CG2 VAL A 48 17.454 25.360 -6.221 1.00 72.10 C ATOM 0 H VAL A 48 20.502 22.945 -5.195 1.00 61.51 H new ATOM 0 HA VAL A 48 19.052 23.688 -7.562 1.00 50.30 H new ATOM 0 HB VAL A 48 18.054 23.559 -5.254 1.00 42.33 H new ATOM 0 HG11 VAL A 48 18.455 25.421 -3.696 1.00 73.33 H new ATOM 0 HG12 VAL A 48 19.936 24.481 -3.996 1.00 73.33 H new ATOM 0 HG13 VAL A 48 19.709 26.059 -4.786 1.00 73.33 H new ATOM 0 HG21 VAL A 48 16.728 25.623 -5.452 1.00 72.10 H new ATOM 0 HG22 VAL A 48 17.911 26.268 -6.614 1.00 72.10 H new ATOM 0 HG23 VAL A 48 16.951 24.828 -7.029 1.00 72.10 H new ATOM 663 N LYS A 49 21.492 25.537 -6.428 1.00 41.41 N ATOM 664 CA LYS A 49 22.341 26.688 -6.714 1.00 54.21 C ATOM 665 C LYS A 49 23.105 26.490 -8.019 1.00 70.31 C ATOM 666 O LYS A 49 23.397 27.451 -8.730 1.00 32.14 O ATOM 667 CB LYS A 49 23.324 26.921 -5.565 1.00 20.21 C ATOM 668 CG LYS A 49 23.755 28.370 -5.417 1.00 62.32 C ATOM 669 CD LYS A 49 22.830 29.134 -4.485 1.00 44.51 C ATOM 670 CE LYS A 49 21.579 29.610 -5.208 1.00 22.33 C ATOM 671 NZ LYS A 49 20.925 30.743 -4.497 1.00 43.43 N ATOM 0 H LYS A 49 21.845 24.926 -5.692 1.00 41.41 H new ATOM 0 HA LYS A 49 21.700 27.563 -6.818 1.00 54.21 H new ATOM 0 HB2 LYS A 49 22.865 26.590 -4.633 1.00 20.21 H new ATOM 0 HB3 LYS A 49 24.207 26.302 -5.723 1.00 20.21 H new ATOM 0 HG2 LYS A 49 24.774 28.410 -5.033 1.00 62.32 H new ATOM 0 HG3 LYS A 49 23.764 28.850 -6.396 1.00 62.32 H new ATOM 0 HD2 LYS A 49 22.547 28.496 -3.648 1.00 44.51 H new ATOM 0 HD3 LYS A 49 23.359 29.991 -4.068 1.00 44.51 H new ATOM 0 HE2 LYS A 49 21.840 29.919 -6.220 1.00 22.33 H new ATOM 0 HE3 LYS A 49 20.875 28.783 -5.298 1.00 22.33 H new ATOM 0 HZ1 LYS A 49 20.077 31.038 -5.021 1.00 43.43 H new ATOM 0 HZ2 LYS A 49 20.653 30.441 -3.540 1.00 43.43 H new ATOM 0 HZ3 LYS A 49 21.588 31.542 -4.433 1.00 43.43 H new ATOM 685 N GLU A 50 23.425 25.237 -8.328 1.00 34.21 N ATOM 686 CA GLU A 50 24.154 24.914 -9.548 1.00 64.03 C ATOM 687 C GLU A 50 23.219 24.902 -10.754 1.00 65.33 C ATOM 688 O GLU A 50 23.669 24.909 -11.900 1.00 34.40 O ATOM 689 CB GLU A 50 24.846 23.556 -9.411 1.00 71.13 C ATOM 690 CG GLU A 50 25.965 23.339 -10.416 1.00 23.14 C ATOM 691 CD GLU A 50 27.296 23.880 -9.932 1.00 5.35 C ATOM 692 OE1 GLU A 50 27.879 23.279 -9.005 1.00 65.43 O ATOM 693 OE2 GLU A 50 27.755 24.905 -10.478 1.00 51.11 O ATOM 0 H GLU A 50 23.191 24.430 -7.750 1.00 34.21 H new ATOM 0 HA GLU A 50 24.909 25.684 -9.704 1.00 64.03 H new ATOM 0 HB2 GLU A 50 25.251 23.464 -8.403 1.00 71.13 H new ATOM 0 HB3 GLU A 50 24.104 22.766 -9.530 1.00 71.13 H new ATOM 0 HG2 GLU A 50 26.063 22.273 -10.621 1.00 23.14 H new ATOM 0 HG3 GLU A 50 25.702 23.821 -11.357 1.00 23.14 H new ATOM 700 N GLN A 51 21.918 24.883 -10.486 1.00 72.23 N ATOM 701 CA GLN A 51 20.920 24.868 -11.549 1.00 53.01 C ATOM 702 C GLN A 51 20.403 26.275 -11.830 1.00 51.10 C ATOM 703 O GLN A 51 20.512 26.775 -12.950 1.00 12.21 O ATOM 704 CB GLN A 51 19.756 23.950 -11.172 1.00 14.23 C ATOM 705 CG GLN A 51 20.111 22.473 -11.204 1.00 32.50 C ATOM 706 CD GLN A 51 20.296 21.947 -12.614 1.00 2.50 C ATOM 707 OE1 GLN A 51 21.404 21.958 -13.152 1.00 32.31 O ATOM 708 NE2 GLN A 51 19.210 21.484 -13.221 1.00 51.42 N ATOM 0 H GLN A 51 21.530 24.878 -9.543 1.00 72.23 H new ATOM 0 HA GLN A 51 21.395 24.488 -12.453 1.00 53.01 H new ATOM 0 HB2 GLN A 51 19.408 24.210 -10.172 1.00 14.23 H new ATOM 0 HB3 GLN A 51 18.926 24.130 -11.855 1.00 14.23 H new ATOM 0 HG2 GLN A 51 21.028 22.311 -10.637 1.00 32.50 H new ATOM 0 HG3 GLN A 51 19.325 21.904 -10.708 1.00 32.50 H new ATOM 0 HE21 GLN A 51 18.312 21.494 -12.737 1.00 51.42 H new ATOM 0 HE22 GLN A 51 19.274 21.118 -14.171 1.00 51.42 H new ATOM 717 N TYR A 52 19.840 26.908 -10.807 1.00 1.40 N ATOM 718 CA TYR A 52 19.304 28.257 -10.945 1.00 14.14 C ATOM 719 C TYR A 52 19.970 29.212 -9.959 1.00 30.34 C ATOM 720 O TYR A 52 19.413 29.557 -8.916 1.00 63.11 O ATOM 721 CB TYR A 52 17.790 28.252 -10.723 1.00 21.33 C ATOM 722 CG TYR A 52 17.016 27.599 -11.846 1.00 11.43 C ATOM 723 CD1 TYR A 52 17.343 27.843 -13.174 1.00 60.21 C ATOM 724 CD2 TYR A 52 15.957 26.741 -11.579 1.00 31.42 C ATOM 725 CE1 TYR A 52 16.638 27.250 -14.204 1.00 21.34 C ATOM 726 CE2 TYR A 52 15.247 26.142 -12.602 1.00 24.12 C ATOM 727 CZ TYR A 52 15.592 26.400 -13.912 1.00 74.33 C ATOM 728 OH TYR A 52 14.886 25.806 -14.934 1.00 44.42 O ATOM 0 H TYR A 52 19.743 26.509 -9.873 1.00 1.40 H new ATOM 0 HA TYR A 52 19.516 28.602 -11.957 1.00 14.14 H new ATOM 0 HB2 TYR A 52 17.570 27.732 -9.791 1.00 21.33 H new ATOM 0 HB3 TYR A 52 17.445 29.279 -10.604 1.00 21.33 H new ATOM 0 HD1 TYR A 52 18.162 28.508 -13.405 1.00 60.21 H new ATOM 0 HD2 TYR A 52 15.684 26.538 -10.554 1.00 31.42 H new ATOM 0 HE1 TYR A 52 16.904 27.451 -15.231 1.00 21.34 H new ATOM 0 HE2 TYR A 52 14.427 25.476 -12.377 1.00 24.12 H new ATOM 0 HH TYR A 52 14.183 25.236 -14.558 1.00 44.42 H new ATOM 738 N PRO A 53 21.192 29.650 -10.295 1.00 41.02 N ATOM 739 CA PRO A 53 21.962 30.572 -9.454 1.00 71.25 C ATOM 740 C PRO A 53 21.360 31.972 -9.428 1.00 52.51 C ATOM 741 O PRO A 53 21.797 32.833 -8.665 1.00 64.41 O ATOM 742 CB PRO A 53 23.339 30.594 -10.122 1.00 3.31 C ATOM 743 CG PRO A 53 23.077 30.236 -11.544 1.00 21.31 C ATOM 744 CD PRO A 53 21.916 29.280 -11.523 1.00 25.13 C ATOM 0 HA PRO A 53 21.983 30.253 -8.412 1.00 71.25 H new ATOM 0 HB2 PRO A 53 23.803 31.577 -10.040 1.00 3.31 H new ATOM 0 HB3 PRO A 53 24.018 29.882 -9.653 1.00 3.31 H new ATOM 0 HG2 PRO A 53 22.842 31.123 -12.133 1.00 21.31 H new ATOM 0 HG3 PRO A 53 23.954 29.775 -11.998 1.00 21.31 H new ATOM 0 HD2 PRO A 53 21.289 29.390 -12.408 1.00 25.13 H new ATOM 0 HD3 PRO A 53 22.250 28.243 -11.496 1.00 25.13 H new ATOM 752 N GLY A 54 20.352 32.195 -10.267 1.00 21.42 N ATOM 753 CA GLY A 54 19.706 33.493 -10.323 1.00 22.01 C ATOM 754 C GLY A 54 18.600 33.635 -9.297 1.00 33.13 C ATOM 755 O GLY A 54 18.417 34.705 -8.715 1.00 62.22 O ATOM 0 H GLY A 54 19.972 31.499 -10.909 1.00 21.42 H new ATOM 0 HA2 GLY A 54 20.450 34.273 -10.161 1.00 22.01 H new ATOM 0 HA3 GLY A 54 19.294 33.648 -11.320 1.00 22.01 H new ATOM 759 N ILE A 55 17.859 32.555 -9.075 1.00 33.42 N ATOM 760 CA ILE A 55 16.764 32.564 -8.112 1.00 41.23 C ATOM 761 C ILE A 55 17.272 32.860 -6.705 1.00 70.32 C ATOM 762 O ILE A 55 18.444 33.183 -6.513 1.00 74.03 O ATOM 763 CB ILE A 55 16.011 31.221 -8.103 1.00 21.34 C ATOM 764 CG1 ILE A 55 16.922 30.104 -7.588 1.00 42.33 C ATOM 765 CG2 ILE A 55 15.496 30.892 -9.496 1.00 43.00 C ATOM 766 CD1 ILE A 55 16.377 29.392 -6.370 1.00 50.50 C ATOM 0 H ILE A 55 17.997 31.662 -9.549 1.00 33.42 H new ATOM 0 HA ILE A 55 16.078 33.353 -8.421 1.00 41.23 H new ATOM 0 HB ILE A 55 15.156 31.306 -7.432 1.00 21.34 H new ATOM 0 HG12 ILE A 55 17.077 29.377 -8.385 1.00 42.33 H new ATOM 0 HG13 ILE A 55 17.898 30.525 -7.346 1.00 42.33 H new ATOM 0 HG21 ILE A 55 14.966 29.940 -9.473 1.00 43.00 H new ATOM 0 HG22 ILE A 55 14.817 31.677 -9.828 1.00 43.00 H new ATOM 0 HG23 ILE A 55 16.336 30.823 -10.187 1.00 43.00 H new ATOM 0 HD11 ILE A 55 17.075 28.614 -6.061 1.00 50.50 H new ATOM 0 HD12 ILE A 55 16.248 30.107 -5.558 1.00 50.50 H new ATOM 0 HD13 ILE A 55 15.415 28.941 -6.612 1.00 50.50 H new ATOM 778 N GLU A 56 16.382 32.744 -5.724 1.00 41.43 N ATOM 779 CA GLU A 56 16.741 32.998 -4.334 1.00 44.41 C ATOM 780 C GLU A 56 16.039 32.015 -3.402 1.00 53.41 C ATOM 781 O GLU A 56 14.832 32.113 -3.176 1.00 23.04 O ATOM 782 CB GLU A 56 16.381 34.434 -3.945 1.00 31.30 C ATOM 783 CG GLU A 56 17.586 35.351 -3.818 1.00 33.34 C ATOM 784 CD GLU A 56 17.243 36.677 -3.168 1.00 1.22 C ATOM 785 OE1 GLU A 56 16.319 37.357 -3.660 1.00 55.25 O ATOM 786 OE2 GLU A 56 17.899 37.035 -2.167 1.00 51.45 O ATOM 0 H GLU A 56 15.408 32.476 -5.866 1.00 41.43 H new ATOM 0 HA GLU A 56 17.818 32.861 -4.233 1.00 44.41 H new ATOM 0 HB2 GLU A 56 15.700 34.844 -4.691 1.00 31.30 H new ATOM 0 HB3 GLU A 56 15.844 34.421 -2.997 1.00 31.30 H new ATOM 0 HG2 GLU A 56 18.358 34.852 -3.232 1.00 33.34 H new ATOM 0 HG3 GLU A 56 18.005 35.533 -4.807 1.00 33.34 H new ATOM 793 N ILE A 57 16.802 31.069 -2.866 1.00 11.22 N ATOM 794 CA ILE A 57 16.253 30.069 -1.959 1.00 22.15 C ATOM 795 C ILE A 57 16.797 30.251 -0.546 1.00 22.13 C ATOM 796 O ILE A 57 17.980 30.023 -0.292 1.00 15.33 O ATOM 797 CB ILE A 57 16.569 28.640 -2.438 1.00 63.03 C ATOM 798 CG1 ILE A 57 16.257 27.627 -1.335 1.00 2.34 C ATOM 799 CG2 ILE A 57 18.026 28.535 -2.865 1.00 31.42 C ATOM 800 CD1 ILE A 57 14.847 27.733 -0.799 1.00 14.13 C ATOM 0 H ILE A 57 17.802 30.974 -3.044 1.00 11.22 H new ATOM 0 HA ILE A 57 15.172 30.210 -1.951 1.00 22.15 H new ATOM 0 HB ILE A 57 15.941 28.414 -3.300 1.00 63.03 H new ATOM 0 HG12 ILE A 57 16.415 26.620 -1.722 1.00 2.34 H new ATOM 0 HG13 ILE A 57 16.961 27.767 -0.514 1.00 2.34 H new ATOM 0 HG21 ILE A 57 18.234 27.519 -3.201 1.00 31.42 H new ATOM 0 HG22 ILE A 57 18.218 29.233 -3.680 1.00 31.42 H new ATOM 0 HG23 ILE A 57 18.671 28.777 -2.020 1.00 31.42 H new ATOM 0 HD11 ILE A 57 14.696 26.985 -0.021 1.00 14.13 H new ATOM 0 HD12 ILE A 57 14.690 28.728 -0.382 1.00 14.13 H new ATOM 0 HD13 ILE A 57 14.137 27.563 -1.608 1.00 14.13 H new ATOM 812 N GLU A 58 15.925 30.661 0.370 1.00 23.12 N ATOM 813 CA GLU A 58 16.319 30.872 1.758 1.00 0.13 C ATOM 814 C GLU A 58 15.664 29.841 2.673 1.00 72.14 C ATOM 815 O GLU A 58 14.769 29.106 2.256 1.00 74.01 O ATOM 816 CB GLU A 58 15.940 32.284 2.210 1.00 42.11 C ATOM 817 CG GLU A 58 16.755 33.377 1.539 1.00 24.11 C ATOM 818 CD GLU A 58 16.248 34.768 1.867 1.00 72.25 C ATOM 819 OE1 GLU A 58 15.029 35.002 1.733 1.00 35.31 O ATOM 820 OE2 GLU A 58 17.071 35.622 2.257 1.00 53.43 O ATOM 0 H GLU A 58 14.942 30.853 0.176 1.00 23.12 H new ATOM 0 HA GLU A 58 17.401 30.755 1.823 1.00 0.13 H new ATOM 0 HB2 GLU A 58 14.883 32.451 2.003 1.00 42.11 H new ATOM 0 HB3 GLU A 58 16.069 32.358 3.290 1.00 42.11 H new ATOM 0 HG2 GLU A 58 17.796 33.291 1.850 1.00 24.11 H new ATOM 0 HG3 GLU A 58 16.732 33.231 0.459 1.00 24.11 H new ATOM 827 N SER A 59 16.117 29.793 3.921 1.00 23.31 N ATOM 828 CA SER A 59 15.579 28.849 4.894 1.00 1.20 C ATOM 829 C SER A 59 14.682 29.561 5.902 1.00 22.03 C ATOM 830 O SER A 59 15.030 30.624 6.417 1.00 30.10 O ATOM 831 CB SER A 59 16.717 28.132 5.623 1.00 34.24 C ATOM 832 OG SER A 59 17.123 28.856 6.771 1.00 2.25 O ATOM 0 H SER A 59 16.855 30.397 4.283 1.00 23.31 H new ATOM 0 HA SER A 59 14.980 28.113 4.358 1.00 1.20 H new ATOM 0 HB2 SER A 59 16.394 27.133 5.915 1.00 34.24 H new ATOM 0 HB3 SER A 59 17.564 28.008 4.949 1.00 34.24 H new ATOM 0 HG SER A 59 17.850 28.376 7.220 1.00 2.25 H new ATOM 838 N ARG A 60 13.526 28.967 6.179 1.00 22.32 N ATOM 839 CA ARG A 60 12.578 29.543 7.125 1.00 51.45 C ATOM 840 C ARG A 60 12.166 28.517 8.176 1.00 51.02 C ATOM 841 O ARG A 60 12.475 27.331 8.056 1.00 61.24 O ATOM 842 CB ARG A 60 11.340 30.059 6.388 1.00 45.43 C ATOM 843 CG ARG A 60 10.683 31.253 7.062 1.00 25.42 C ATOM 844 CD ARG A 60 9.676 31.927 6.144 1.00 65.14 C ATOM 845 NE ARG A 60 9.589 33.364 6.388 1.00 10.05 N ATOM 846 CZ ARG A 60 10.565 34.219 6.105 1.00 64.35 C ATOM 847 NH1 ARG A 60 11.697 33.783 5.568 1.00 1.13 N ATOM 848 NH2 ARG A 60 10.411 35.512 6.357 1.00 53.25 N ATOM 0 H ARG A 60 13.223 28.087 5.762 1.00 22.32 H new ATOM 0 HA ARG A 60 13.067 30.377 7.629 1.00 51.45 H new ATOM 0 HB2 ARG A 60 11.622 30.336 5.372 1.00 45.43 H new ATOM 0 HB3 ARG A 60 10.612 29.252 6.308 1.00 45.43 H new ATOM 0 HG2 ARG A 60 10.184 30.928 7.975 1.00 25.42 H new ATOM 0 HG3 ARG A 60 11.447 31.972 7.356 1.00 25.42 H new ATOM 0 HD2 ARG A 60 9.958 31.752 5.106 1.00 65.14 H new ATOM 0 HD3 ARG A 60 8.695 31.475 6.288 1.00 65.14 H new ATOM 0 HE ARG A 60 8.731 33.732 6.799 1.00 10.05 H new ATOM 0 HH11 ARG A 60 11.819 32.790 5.372 1.00 1.13 H new ATOM 0 HH12 ARG A 60 12.445 34.441 5.351 1.00 1.13 H new ATOM 0 HH21 ARG A 60 9.542 35.851 6.769 1.00 53.25 H new ATOM 0 HH22 ARG A 60 11.162 36.167 6.139 1.00 53.25 H new ATOM 862 N LEU A 61 11.467 28.981 9.206 1.00 4.01 N ATOM 863 CA LEU A 61 11.013 28.104 10.280 1.00 60.14 C ATOM 864 C LEU A 61 9.607 27.582 9.999 1.00 45.45 C ATOM 865 O LEU A 61 8.775 28.287 9.429 1.00 1.12 O ATOM 866 CB LEU A 61 11.036 28.847 11.616 1.00 13.23 C ATOM 867 CG LEU A 61 12.311 28.698 12.446 1.00 24.50 C ATOM 868 CD1 LEU A 61 12.421 27.288 13.008 1.00 53.45 C ATOM 869 CD2 LEU A 61 13.536 29.036 11.608 1.00 55.12 C ATOM 0 H LEU A 61 11.202 29.959 9.320 1.00 4.01 H new ATOM 0 HA LEU A 61 11.693 27.253 10.333 1.00 60.14 H new ATOM 0 HB2 LEU A 61 10.875 29.907 11.422 1.00 13.23 H new ATOM 0 HB3 LEU A 61 10.194 28.501 12.216 1.00 13.23 H new ATOM 0 HG LEU A 61 12.262 29.397 13.281 1.00 24.50 H new ATOM 0 HD11 LEU A 61 13.335 27.201 13.596 1.00 53.45 H new ATOM 0 HD12 LEU A 61 11.560 27.081 13.643 1.00 53.45 H new ATOM 0 HD13 LEU A 61 12.447 26.570 12.188 1.00 53.45 H new ATOM 0 HD21 LEU A 61 14.434 28.924 12.215 1.00 55.12 H new ATOM 0 HD22 LEU A 61 13.590 28.362 10.753 1.00 55.12 H new ATOM 0 HD23 LEU A 61 13.462 30.064 11.254 1.00 55.12 H new ATOM 881 N GLY A 62 9.350 26.343 10.404 1.00 35.40 N ATOM 882 CA GLY A 62 8.043 25.748 10.189 1.00 41.51 C ATOM 883 C GLY A 62 7.259 25.590 11.476 1.00 0.15 C ATOM 884 O GLY A 62 6.229 26.236 11.668 1.00 64.40 O ATOM 0 H GLY A 62 10.023 25.740 10.877 1.00 35.40 H new ATOM 0 HA2 GLY A 62 7.475 26.368 9.495 1.00 41.51 H new ATOM 0 HA3 GLY A 62 8.164 24.772 9.719 1.00 41.51 H new ATOM 888 N GLY A 63 7.746 24.726 12.362 1.00 5.42 N ATOM 889 CA GLY A 63 7.071 24.499 13.626 1.00 13.22 C ATOM 890 C GLY A 63 7.592 23.274 14.350 1.00 2.05 C ATOM 891 O GLY A 63 8.181 23.383 15.427 1.00 72.42 O ATOM 0 H GLY A 63 8.596 24.179 12.226 1.00 5.42 H new ATOM 0 HA2 GLY A 63 7.196 25.374 14.263 1.00 13.22 H new ATOM 0 HA3 GLY A 63 6.002 24.384 13.448 1.00 13.22 H new ATOM 895 N THR A 64 7.375 22.102 13.761 1.00 42.54 N ATOM 896 CA THR A 64 7.825 20.851 14.358 1.00 52.35 C ATOM 897 C THR A 64 7.755 19.707 13.353 1.00 20.42 C ATOM 898 O THR A 64 6.671 19.287 12.949 1.00 3.34 O ATOM 899 CB THR A 64 6.984 20.485 15.595 1.00 11.21 C ATOM 900 OG1 THR A 64 5.713 21.141 15.535 1.00 15.31 O ATOM 901 CG2 THR A 64 7.704 20.881 16.875 1.00 24.32 C ATOM 0 H THR A 64 6.890 21.993 12.870 1.00 42.54 H new ATOM 0 HA THR A 64 8.861 21.000 14.663 1.00 52.35 H new ATOM 0 HB THR A 64 6.835 19.405 15.599 1.00 11.21 H new ATOM 0 HG1 THR A 64 5.184 20.902 16.324 1.00 15.31 H new ATOM 0 HG21 THR A 64 7.091 20.613 17.735 1.00 24.32 H new ATOM 0 HG22 THR A 64 8.658 20.358 16.932 1.00 24.32 H new ATOM 0 HG23 THR A 64 7.879 21.957 16.876 1.00 24.32 H new ATOM 909 N GLY A 65 8.919 19.204 12.953 1.00 4.15 N ATOM 910 CA GLY A 65 8.968 18.112 12.000 1.00 74.54 C ATOM 911 C GLY A 65 8.146 18.390 10.757 1.00 54.21 C ATOM 912 O GLY A 65 7.552 17.480 10.180 1.00 61.50 O ATOM 0 H GLY A 65 9.830 19.534 13.273 1.00 4.15 H new ATOM 0 HA2 GLY A 65 10.004 17.930 11.714 1.00 74.54 H new ATOM 0 HA3 GLY A 65 8.604 17.202 12.476 1.00 74.54 H new ATOM 916 N ALA A 66 8.109 19.653 10.344 1.00 0.14 N ATOM 917 CA ALA A 66 7.354 20.049 9.162 1.00 31.02 C ATOM 918 C ALA A 66 8.281 20.303 7.978 1.00 12.13 C ATOM 919 O ALA A 66 9.495 20.425 8.143 1.00 71.35 O ATOM 920 CB ALA A 66 6.521 21.287 9.458 1.00 0.42 C ATOM 0 H ALA A 66 8.593 20.419 10.811 1.00 0.14 H new ATOM 0 HA ALA A 66 6.685 19.230 8.897 1.00 31.02 H new ATOM 0 HB1 ALA A 66 5.962 21.571 8.566 1.00 0.42 H new ATOM 0 HB2 ALA A 66 5.825 21.072 10.269 1.00 0.42 H new ATOM 0 HB3 ALA A 66 7.178 22.106 9.751 1.00 0.42 H new ATOM 926 N PHE A 67 7.701 20.382 6.785 1.00 21.41 N ATOM 927 CA PHE A 67 8.476 20.620 5.573 1.00 70.41 C ATOM 928 C PHE A 67 7.619 21.288 4.502 1.00 73.42 C ATOM 929 O PHE A 67 7.575 20.837 3.358 1.00 41.14 O ATOM 930 CB PHE A 67 9.045 19.303 5.039 1.00 11.32 C ATOM 931 CG PHE A 67 10.196 19.488 4.092 1.00 1.03 C ATOM 932 CD1 PHE A 67 11.468 19.756 4.571 1.00 3.15 C ATOM 933 CD2 PHE A 67 10.006 19.393 2.723 1.00 2.01 C ATOM 934 CE1 PHE A 67 12.529 19.927 3.702 1.00 10.31 C ATOM 935 CE2 PHE A 67 11.063 19.563 1.849 1.00 63.21 C ATOM 936 CZ PHE A 67 12.327 19.829 2.339 1.00 14.33 C ATOM 0 H PHE A 67 6.697 20.285 6.632 1.00 21.41 H new ATOM 0 HA PHE A 67 9.300 21.289 5.824 1.00 70.41 H new ATOM 0 HB2 PHE A 67 9.371 18.690 5.879 1.00 11.32 H new ATOM 0 HB3 PHE A 67 8.252 18.753 4.532 1.00 11.32 H new ATOM 0 HD1 PHE A 67 11.632 19.832 5.636 1.00 3.15 H new ATOM 0 HD2 PHE A 67 9.020 19.184 2.334 1.00 2.01 H new ATOM 0 HE1 PHE A 67 13.515 20.137 4.088 1.00 10.31 H new ATOM 0 HE2 PHE A 67 10.901 19.488 0.784 1.00 63.21 H new ATOM 0 HZ PHE A 67 13.155 19.960 1.658 1.00 14.33 H new ATOM 946 N GLU A 68 6.938 22.364 4.883 1.00 2.11 N ATOM 947 CA GLU A 68 6.081 23.093 3.956 1.00 50.22 C ATOM 948 C GLU A 68 6.914 23.841 2.918 1.00 33.41 C ATOM 949 O GLU A 68 7.671 24.752 3.254 1.00 31.41 O ATOM 950 CB GLU A 68 5.190 24.078 4.716 1.00 24.24 C ATOM 951 CG GLU A 68 4.068 23.409 5.492 1.00 11.10 C ATOM 952 CD GLU A 68 3.345 24.369 6.417 1.00 41.33 C ATOM 953 OE1 GLU A 68 4.009 25.264 6.981 1.00 22.51 O ATOM 954 OE2 GLU A 68 2.115 24.226 6.575 1.00 14.14 O ATOM 0 H GLU A 68 6.963 22.750 5.827 1.00 2.11 H new ATOM 0 HA GLU A 68 5.451 22.369 3.439 1.00 50.22 H new ATOM 0 HB2 GLU A 68 5.806 24.653 5.407 1.00 24.24 H new ATOM 0 HB3 GLU A 68 4.759 24.786 4.008 1.00 24.24 H new ATOM 0 HG2 GLU A 68 3.353 22.978 4.791 1.00 11.10 H new ATOM 0 HG3 GLU A 68 4.477 22.585 6.077 1.00 11.10 H new ATOM 961 N ILE A 69 6.768 23.448 1.657 1.00 11.11 N ATOM 962 CA ILE A 69 7.506 24.081 0.571 1.00 75.44 C ATOM 963 C ILE A 69 6.774 25.315 0.055 1.00 74.12 C ATOM 964 O ILE A 69 5.561 25.288 -0.151 1.00 13.01 O ATOM 965 CB ILE A 69 7.731 23.105 -0.599 1.00 60.15 C ATOM 966 CG1 ILE A 69 8.518 21.881 -0.127 1.00 61.20 C ATOM 967 CG2 ILE A 69 8.460 23.803 -1.738 1.00 72.11 C ATOM 968 CD1 ILE A 69 8.297 20.653 -0.983 1.00 1.23 C ATOM 0 H ILE A 69 6.146 22.695 1.362 1.00 11.11 H new ATOM 0 HA ILE A 69 8.473 24.379 0.977 1.00 75.44 H new ATOM 0 HB ILE A 69 6.760 22.770 -0.965 1.00 60.15 H new ATOM 0 HG12 ILE A 69 9.581 22.123 -0.121 1.00 61.20 H new ATOM 0 HG13 ILE A 69 8.237 21.653 0.901 1.00 61.20 H new ATOM 0 HG21 ILE A 69 8.612 23.101 -2.557 1.00 72.11 H new ATOM 0 HG22 ILE A 69 7.865 24.646 -2.088 1.00 72.11 H new ATOM 0 HG23 ILE A 69 9.426 24.163 -1.385 1.00 72.11 H new ATOM 0 HD11 ILE A 69 8.886 19.824 -0.590 1.00 1.23 H new ATOM 0 HD12 ILE A 69 7.240 20.386 -0.970 1.00 1.23 H new ATOM 0 HD13 ILE A 69 8.605 20.863 -2.007 1.00 1.23 H new ATOM 980 N GLU A 70 7.520 26.395 -0.154 1.00 21.04 N ATOM 981 CA GLU A 70 6.941 27.639 -0.647 1.00 4.22 C ATOM 982 C GLU A 70 7.744 28.183 -1.825 1.00 42.20 C ATOM 983 O GLU A 70 8.726 28.904 -1.641 1.00 35.11 O ATOM 984 CB GLU A 70 6.887 28.681 0.472 1.00 5.43 C ATOM 985 CG GLU A 70 6.034 28.259 1.657 1.00 42.25 C ATOM 986 CD GLU A 70 5.604 29.434 2.514 1.00 64.30 C ATOM 987 OE1 GLU A 70 6.490 30.164 3.006 1.00 62.03 O ATOM 988 OE2 GLU A 70 4.383 29.622 2.694 1.00 42.45 O ATOM 0 H GLU A 70 8.526 26.434 0.010 1.00 21.04 H new ATOM 0 HA GLU A 70 5.927 27.428 -0.987 1.00 4.22 H new ATOM 0 HB2 GLU A 70 7.901 28.883 0.818 1.00 5.43 H new ATOM 0 HB3 GLU A 70 6.496 29.615 0.068 1.00 5.43 H new ATOM 0 HG2 GLU A 70 5.149 27.735 1.295 1.00 42.25 H new ATOM 0 HG3 GLU A 70 6.594 27.553 2.270 1.00 42.25 H new ATOM 995 N ILE A 71 7.320 27.832 -3.034 1.00 42.34 N ATOM 996 CA ILE A 71 7.999 28.285 -4.242 1.00 53.34 C ATOM 997 C ILE A 71 7.976 29.806 -4.348 1.00 50.31 C ATOM 998 O ILE A 71 8.847 30.408 -4.975 1.00 74.03 O ATOM 999 CB ILE A 71 7.357 27.684 -5.507 1.00 44.41 C ATOM 1000 CG1 ILE A 71 8.091 28.172 -6.758 1.00 51.12 C ATOM 1001 CG2 ILE A 71 5.882 28.048 -5.576 1.00 74.44 C ATOM 1002 CD1 ILE A 71 9.567 27.843 -6.760 1.00 4.44 C ATOM 0 H ILE A 71 6.510 27.236 -3.203 1.00 42.34 H new ATOM 0 HA ILE A 71 9.032 27.944 -4.171 1.00 53.34 H new ATOM 0 HB ILE A 71 7.441 26.598 -5.459 1.00 44.41 H new ATOM 0 HG12 ILE A 71 7.627 27.727 -7.638 1.00 51.12 H new ATOM 0 HG13 ILE A 71 7.968 29.252 -6.844 1.00 51.12 H new ATOM 0 HG21 ILE A 71 5.442 27.616 -6.475 1.00 74.44 H new ATOM 0 HG22 ILE A 71 5.369 27.657 -4.697 1.00 74.44 H new ATOM 0 HG23 ILE A 71 5.776 29.132 -5.605 1.00 74.44 H new ATOM 0 HD11 ILE A 71 10.022 28.219 -7.676 1.00 4.44 H new ATOM 0 HD12 ILE A 71 10.045 28.310 -5.899 1.00 4.44 H new ATOM 0 HD13 ILE A 71 9.699 26.762 -6.706 1.00 4.44 H new ATOM 1014 N ASN A 72 6.974 30.422 -3.728 1.00 44.23 N ATOM 1015 CA ASN A 72 6.839 31.874 -3.751 1.00 53.14 C ATOM 1016 C ASN A 72 6.350 32.396 -2.404 1.00 12.31 C ATOM 1017 O ASN A 72 5.508 33.291 -2.341 1.00 41.45 O ATOM 1018 CB ASN A 72 5.871 32.299 -4.857 1.00 53.14 C ATOM 1019 CG ASN A 72 6.564 32.481 -6.194 1.00 12.21 C ATOM 1020 OD1 ASN A 72 6.877 33.602 -6.596 1.00 22.14 O ATOM 1021 ND2 ASN A 72 6.806 31.376 -6.890 1.00 1.51 N ATOM 0 H ASN A 72 6.244 29.939 -3.204 1.00 44.23 H new ATOM 0 HA ASN A 72 7.821 32.302 -3.952 1.00 53.14 H new ATOM 0 HB2 ASN A 72 5.086 31.549 -4.957 1.00 53.14 H new ATOM 0 HB3 ASN A 72 5.386 33.233 -4.572 1.00 53.14 H new ATOM 0 HD21 ASN A 72 7.269 31.436 -7.797 1.00 1.51 H new ATOM 0 HD22 ASN A 72 6.529 30.468 -6.518 1.00 1.51 H new ATOM 1028 N GLY A 73 6.885 31.830 -1.326 1.00 52.13 N ATOM 1029 CA GLY A 73 6.491 32.251 0.006 1.00 45.34 C ATOM 1030 C GLY A 73 5.102 31.773 0.379 1.00 64.35 C ATOM 1031 O GLY A 73 4.569 32.150 1.421 1.00 13.32 O ATOM 0 H GLY A 73 7.584 31.088 -1.352 1.00 52.13 H new ATOM 0 HA2 GLY A 73 7.210 31.870 0.731 1.00 45.34 H new ATOM 0 HA3 GLY A 73 6.525 33.339 0.065 1.00 45.34 H new ATOM 1035 N GLN A 74 4.516 30.941 -0.476 1.00 35.10 N ATOM 1036 CA GLN A 74 3.179 30.413 -0.231 1.00 73.31 C ATOM 1037 C GLN A 74 3.164 28.892 -0.349 1.00 41.34 C ATOM 1038 O GLN A 74 3.503 28.337 -1.395 1.00 44.02 O ATOM 1039 CB GLN A 74 2.178 31.022 -1.215 1.00 4.32 C ATOM 1040 CG GLN A 74 1.605 32.352 -0.753 1.00 52.34 C ATOM 1041 CD GLN A 74 0.154 32.533 -1.155 1.00 42.11 C ATOM 1042 OE1 GLN A 74 -0.742 32.515 -0.311 1.00 75.24 O ATOM 1043 NE2 GLN A 74 -0.084 32.709 -2.449 1.00 54.34 N ATOM 0 H GLN A 74 4.945 30.618 -1.343 1.00 35.10 H new ATOM 0 HA GLN A 74 2.890 30.684 0.785 1.00 73.31 H new ATOM 0 HB2 GLN A 74 2.667 31.162 -2.179 1.00 4.32 H new ATOM 0 HB3 GLN A 74 1.361 30.318 -1.372 1.00 4.32 H new ATOM 0 HG2 GLN A 74 1.689 32.423 0.331 1.00 52.34 H new ATOM 0 HG3 GLN A 74 2.198 33.164 -1.172 1.00 52.34 H new ATOM 0 HE21 GLN A 74 0.690 32.717 -3.113 1.00 54.34 H new ATOM 0 HE22 GLN A 74 -1.041 32.836 -2.779 1.00 54.34 H new ATOM 1052 N LEU A 75 2.770 28.224 0.729 1.00 74.13 N ATOM 1053 CA LEU A 75 2.711 26.766 0.746 1.00 11.33 C ATOM 1054 C LEU A 75 1.908 26.239 -0.439 1.00 0.33 C ATOM 1055 O LEU A 75 0.703 26.471 -0.538 1.00 41.42 O ATOM 1056 CB LEU A 75 2.090 26.277 2.056 1.00 52.12 C ATOM 1057 CG LEU A 75 1.934 24.763 2.200 1.00 35.20 C ATOM 1058 CD1 LEU A 75 3.267 24.065 1.979 1.00 54.25 C ATOM 1059 CD2 LEU A 75 1.367 24.413 3.569 1.00 43.05 C ATOM 0 H LEU A 75 2.487 28.668 1.603 1.00 74.13 H new ATOM 0 HA LEU A 75 3.729 26.385 0.669 1.00 11.33 H new ATOM 0 HB2 LEU A 75 2.701 26.639 2.882 1.00 52.12 H new ATOM 0 HB3 LEU A 75 1.107 26.735 2.162 1.00 52.12 H new ATOM 0 HG LEU A 75 1.235 24.415 1.439 1.00 35.20 H new ATOM 0 HD11 LEU A 75 3.136 22.988 2.086 1.00 54.25 H new ATOM 0 HD12 LEU A 75 3.633 24.289 0.977 1.00 54.25 H new ATOM 0 HD13 LEU A 75 3.989 24.417 2.716 1.00 54.25 H new ATOM 0 HD21 LEU A 75 1.263 23.331 3.654 1.00 43.05 H new ATOM 0 HD22 LEU A 75 2.041 24.775 4.345 1.00 43.05 H new ATOM 0 HD23 LEU A 75 0.391 24.882 3.689 1.00 43.05 H new ATOM 1071 N VAL A 76 2.584 25.527 -1.335 1.00 34.23 N ATOM 1072 CA VAL A 76 1.933 24.963 -2.512 1.00 11.44 C ATOM 1073 C VAL A 76 1.918 23.440 -2.455 1.00 12.02 C ATOM 1074 O VAL A 76 1.106 22.791 -3.115 1.00 15.53 O ATOM 1075 CB VAL A 76 2.633 25.411 -3.808 1.00 61.04 C ATOM 1076 CG1 VAL A 76 1.845 24.953 -5.026 1.00 65.32 C ATOM 1077 CG2 VAL A 76 2.818 26.921 -3.820 1.00 32.12 C ATOM 0 H VAL A 76 3.582 25.327 -1.268 1.00 34.23 H new ATOM 0 HA VAL A 76 0.908 25.333 -2.515 1.00 11.44 H new ATOM 0 HB VAL A 76 3.619 24.947 -3.847 1.00 61.04 H new ATOM 0 HG11 VAL A 76 2.355 25.279 -5.933 1.00 65.32 H new ATOM 0 HG12 VAL A 76 1.770 23.866 -5.023 1.00 65.32 H new ATOM 0 HG13 VAL A 76 0.845 25.386 -4.996 1.00 65.32 H new ATOM 0 HG21 VAL A 76 3.314 27.219 -4.743 1.00 32.12 H new ATOM 0 HG22 VAL A 76 1.845 27.407 -3.758 1.00 32.12 H new ATOM 0 HG23 VAL A 76 3.428 27.220 -2.967 1.00 32.12 H new ATOM 1087 N PHE A 77 2.821 22.874 -1.661 1.00 62.04 N ATOM 1088 CA PHE A 77 2.913 21.426 -1.518 1.00 75.32 C ATOM 1089 C PHE A 77 3.559 21.050 -0.188 1.00 43.41 C ATOM 1090 O PHE A 77 4.719 21.378 0.065 1.00 74.11 O ATOM 1091 CB PHE A 77 3.715 20.827 -2.675 1.00 40.13 C ATOM 1092 CG PHE A 77 2.922 20.681 -3.943 1.00 1.54 C ATOM 1093 CD1 PHE A 77 1.836 19.823 -4.001 1.00 61.11 C ATOM 1094 CD2 PHE A 77 3.262 21.404 -5.075 1.00 62.51 C ATOM 1095 CE1 PHE A 77 1.105 19.687 -5.166 1.00 64.53 C ATOM 1096 CE2 PHE A 77 2.535 21.272 -6.243 1.00 71.41 C ATOM 1097 CZ PHE A 77 1.454 20.413 -6.288 1.00 64.32 C ATOM 0 H PHE A 77 3.499 23.396 -1.107 1.00 62.04 H new ATOM 0 HA PHE A 77 1.902 21.020 -1.538 1.00 75.32 H new ATOM 0 HB2 PHE A 77 4.583 21.457 -2.869 1.00 40.13 H new ATOM 0 HB3 PHE A 77 4.092 19.849 -2.377 1.00 40.13 H new ATOM 0 HD1 PHE A 77 1.557 19.254 -3.126 1.00 61.11 H new ATOM 0 HD2 PHE A 77 4.105 22.079 -5.044 1.00 62.51 H new ATOM 0 HE1 PHE A 77 0.261 19.013 -5.199 1.00 64.53 H new ATOM 0 HE2 PHE A 77 2.812 21.840 -7.119 1.00 71.41 H new ATOM 0 HZ PHE A 77 0.883 20.309 -7.199 1.00 64.32 H new ATOM 1107 N SER A 78 2.801 20.362 0.659 1.00 74.45 N ATOM 1108 CA SER A 78 3.297 19.945 1.965 1.00 43.03 C ATOM 1109 C SER A 78 3.882 18.537 1.900 1.00 51.30 C ATOM 1110 O SER A 78 3.423 17.696 1.127 1.00 41.44 O ATOM 1111 CB SER A 78 2.173 19.995 3.001 1.00 10.41 C ATOM 1112 OG SER A 78 1.358 21.140 2.814 1.00 21.43 O ATOM 0 H SER A 78 1.840 20.081 0.464 1.00 74.45 H new ATOM 0 HA SER A 78 4.087 20.635 2.263 1.00 43.03 H new ATOM 0 HB2 SER A 78 1.564 19.094 2.925 1.00 10.41 H new ATOM 0 HB3 SER A 78 2.599 20.008 4.004 1.00 10.41 H new ATOM 0 HG SER A 78 0.646 21.148 3.487 1.00 21.43 H new ATOM 1118 N LYS A 79 4.899 18.288 2.718 1.00 35.43 N ATOM 1119 CA LYS A 79 5.547 16.982 2.757 1.00 3.40 C ATOM 1120 C LYS A 79 5.011 16.142 3.911 1.00 13.13 C ATOM 1121 O LYS A 79 5.260 14.938 3.985 1.00 42.13 O ATOM 1122 CB LYS A 79 7.063 17.147 2.894 1.00 53.14 C ATOM 1123 CG LYS A 79 7.859 16.127 2.099 1.00 45.01 C ATOM 1124 CD LYS A 79 9.116 15.701 2.839 1.00 1.45 C ATOM 1125 CE LYS A 79 10.211 15.269 1.876 1.00 30.45 C ATOM 1126 NZ LYS A 79 11.556 15.721 2.327 1.00 44.35 N ATOM 0 H LYS A 79 5.292 18.973 3.363 1.00 35.43 H new ATOM 0 HA LYS A 79 5.326 16.466 1.823 1.00 3.40 H new ATOM 0 HB2 LYS A 79 7.342 18.149 2.567 1.00 53.14 H new ATOM 0 HB3 LYS A 79 7.335 17.068 3.946 1.00 53.14 H new ATOM 0 HG2 LYS A 79 7.238 15.253 1.902 1.00 45.01 H new ATOM 0 HG3 LYS A 79 8.131 16.550 1.132 1.00 45.01 H new ATOM 0 HD2 LYS A 79 9.475 16.527 3.453 1.00 1.45 H new ATOM 0 HD3 LYS A 79 8.880 14.880 3.516 1.00 1.45 H new ATOM 0 HE2 LYS A 79 10.205 14.183 1.783 1.00 30.45 H new ATOM 0 HE3 LYS A 79 10.005 15.675 0.886 1.00 30.45 H new ATOM 0 HZ1 LYS A 79 12.275 15.407 1.644 1.00 44.35 H new ATOM 0 HZ2 LYS A 79 11.570 16.759 2.392 1.00 44.35 H new ATOM 0 HZ3 LYS A 79 11.764 15.313 3.261 1.00 44.35 H new ATOM 1140 N LEU A 80 4.272 16.783 4.810 1.00 13.10 N ATOM 1141 CA LEU A 80 3.698 16.094 5.961 1.00 71.13 C ATOM 1142 C LEU A 80 2.355 15.464 5.604 1.00 23.21 C ATOM 1143 O LEU A 80 1.679 14.897 6.461 1.00 34.41 O ATOM 1144 CB LEU A 80 3.524 17.067 7.128 1.00 35.00 C ATOM 1145 CG LEU A 80 4.709 17.185 8.086 1.00 3.12 C ATOM 1146 CD1 LEU A 80 4.802 15.954 8.975 1.00 43.24 C ATOM 1147 CD2 LEU A 80 6.004 17.385 7.311 1.00 35.31 C ATOM 0 H LEU A 80 4.056 17.779 4.764 1.00 13.10 H new ATOM 0 HA LEU A 80 4.384 15.300 6.257 1.00 71.13 H new ATOM 0 HB2 LEU A 80 3.311 18.056 6.722 1.00 35.00 H new ATOM 0 HB3 LEU A 80 2.648 16.763 7.701 1.00 35.00 H new ATOM 0 HG LEU A 80 4.552 18.056 8.722 1.00 3.12 H new ATOM 0 HD11 LEU A 80 5.652 16.056 9.650 1.00 43.24 H new ATOM 0 HD12 LEU A 80 3.886 15.855 9.557 1.00 43.24 H new ATOM 0 HD13 LEU A 80 4.936 15.067 8.356 1.00 43.24 H new ATOM 0 HD21 LEU A 80 6.837 17.467 8.009 1.00 35.31 H new ATOM 0 HD22 LEU A 80 6.167 16.534 6.650 1.00 35.31 H new ATOM 0 HD23 LEU A 80 5.936 18.297 6.718 1.00 35.31 H new ATOM 1159 N GLU A 81 1.978 15.566 4.333 1.00 1.25 N ATOM 1160 CA GLU A 81 0.717 15.005 3.864 1.00 32.32 C ATOM 1161 C GLU A 81 0.958 13.761 3.014 1.00 70.30 C ATOM 1162 O GLU A 81 0.353 12.714 3.241 1.00 13.01 O ATOM 1163 CB GLU A 81 -0.061 16.045 3.056 1.00 41.41 C ATOM 1164 CG GLU A 81 0.782 16.760 2.013 1.00 0.54 C ATOM 1165 CD GLU A 81 0.040 17.902 1.346 1.00 12.11 C ATOM 1166 OE1 GLU A 81 -1.022 18.304 1.865 1.00 33.22 O ATOM 1167 OE2 GLU A 81 0.522 18.394 0.304 1.00 22.13 O ATOM 0 H GLU A 81 2.528 16.032 3.611 1.00 1.25 H new ATOM 0 HA GLU A 81 0.129 14.720 4.737 1.00 32.32 H new ATOM 0 HB2 GLU A 81 -0.899 15.555 2.560 1.00 41.41 H new ATOM 0 HB3 GLU A 81 -0.482 16.783 3.739 1.00 41.41 H new ATOM 0 HG2 GLU A 81 1.686 17.145 2.484 1.00 0.54 H new ATOM 0 HG3 GLU A 81 1.098 16.044 1.254 1.00 0.54 H new ATOM 1174 N ASN A 82 1.847 13.884 2.033 1.00 14.54 N ATOM 1175 CA ASN A 82 2.168 12.771 1.148 1.00 54.12 C ATOM 1176 C ASN A 82 2.983 11.710 1.881 1.00 12.31 C ATOM 1177 O ASN A 82 2.680 10.520 1.809 1.00 64.03 O ATOM 1178 CB ASN A 82 2.941 13.271 -0.074 1.00 24.31 C ATOM 1179 CG ASN A 82 4.263 13.913 0.302 1.00 53.33 C ATOM 1180 OD1 ASN A 82 4.386 14.534 1.358 1.00 72.31 O ATOM 1181 ND2 ASN A 82 5.259 13.767 -0.564 1.00 53.34 N ATOM 0 H ASN A 82 2.358 14.744 1.831 1.00 14.54 H new ATOM 0 HA ASN A 82 1.232 12.320 0.818 1.00 54.12 H new ATOM 0 HB2 ASN A 82 3.125 12.437 -0.751 1.00 24.31 H new ATOM 0 HB3 ASN A 82 2.331 13.993 -0.616 1.00 24.31 H new ATOM 0 HD21 ASN A 82 6.171 14.178 -0.366 1.00 53.34 H new ATOM 0 HD22 ASN A 82 5.112 13.244 -1.427 1.00 53.34 H new ATOM 1188 N GLY A 83 4.019 12.152 2.588 1.00 32.42 N ATOM 1189 CA GLY A 83 4.861 11.228 3.325 1.00 4.11 C ATOM 1190 C GLY A 83 6.323 11.346 2.943 1.00 45.01 C ATOM 1191 O GLY A 83 7.160 10.577 3.414 1.00 34.53 O ATOM 0 H GLY A 83 4.290 13.133 2.663 1.00 32.42 H new ATOM 0 HA2 GLY A 83 4.752 11.414 4.393 1.00 4.11 H new ATOM 0 HA3 GLY A 83 4.522 10.208 3.143 1.00 4.11 H new ATOM 1236 N TYR A 87 11.020 14.888 -5.556 1.00 20.50 N ATOM 1237 CA TYR A 87 11.521 14.639 -6.902 1.00 43.15 C ATOM 1238 C TYR A 87 12.381 15.802 -7.387 1.00 4.42 C ATOM 1239 O TYR A 87 11.984 16.963 -7.292 1.00 41.11 O ATOM 1240 CB TYR A 87 10.357 14.414 -7.869 1.00 64.21 C ATOM 1241 CG TYR A 87 9.283 13.502 -7.321 1.00 62.42 C ATOM 1242 CD1 TYR A 87 9.492 12.131 -7.222 1.00 3.51 C ATOM 1243 CD2 TYR A 87 8.059 14.009 -6.904 1.00 1.20 C ATOM 1244 CE1 TYR A 87 8.514 11.294 -6.723 1.00 33.14 C ATOM 1245 CE2 TYR A 87 7.075 13.179 -6.402 1.00 43.41 C ATOM 1246 CZ TYR A 87 7.307 11.823 -6.314 1.00 22.43 C ATOM 1247 OH TYR A 87 6.329 10.993 -5.816 1.00 22.54 O ATOM 0 HA TYR A 87 12.139 13.741 -6.872 1.00 43.15 H new ATOM 0 HB2 TYR A 87 9.912 15.377 -8.119 1.00 64.21 H new ATOM 0 HB3 TYR A 87 10.743 13.991 -8.797 1.00 64.21 H new ATOM 0 HD1 TYR A 87 10.436 11.714 -7.541 1.00 3.51 H new ATOM 0 HD2 TYR A 87 7.873 15.071 -6.973 1.00 1.20 H new ATOM 0 HE1 TYR A 87 8.693 10.231 -6.653 1.00 33.14 H new ATOM 0 HE2 TYR A 87 6.130 13.590 -6.080 1.00 43.41 H new ATOM 0 HH TYR A 87 5.542 11.524 -5.573 1.00 22.54 H new ATOM 1257 N GLU A 88 13.562 15.481 -7.907 1.00 31.34 N ATOM 1258 CA GLU A 88 14.479 16.499 -8.406 1.00 71.40 C ATOM 1259 C GLU A 88 13.805 17.365 -9.466 1.00 61.35 C ATOM 1260 O GLU A 88 14.204 18.506 -9.698 1.00 11.33 O ATOM 1261 CB GLU A 88 15.734 15.845 -8.988 1.00 20.22 C ATOM 1262 CG GLU A 88 16.653 16.821 -9.703 1.00 73.25 C ATOM 1263 CD GLU A 88 17.910 16.158 -10.233 1.00 35.22 C ATOM 1264 OE1 GLU A 88 18.786 15.811 -9.414 1.00 22.42 O ATOM 1265 OE2 GLU A 88 18.017 15.987 -11.465 1.00 32.51 O ATOM 0 H GLU A 88 13.906 14.525 -7.993 1.00 31.34 H new ATOM 0 HA GLU A 88 14.765 17.136 -7.569 1.00 71.40 H new ATOM 0 HB2 GLU A 88 16.287 15.361 -8.183 1.00 20.22 H new ATOM 0 HB3 GLU A 88 15.435 15.062 -9.686 1.00 20.22 H new ATOM 0 HG2 GLU A 88 16.114 17.282 -10.530 1.00 73.25 H new ATOM 0 HG3 GLU A 88 16.931 17.622 -9.017 1.00 73.25 H new ATOM 1272 N LYS A 89 12.781 16.813 -10.109 1.00 43.13 N ATOM 1273 CA LYS A 89 12.050 17.533 -11.145 1.00 42.21 C ATOM 1274 C LYS A 89 10.881 18.309 -10.547 1.00 31.44 C ATOM 1275 O LYS A 89 10.371 19.249 -11.155 1.00 41.35 O ATOM 1276 CB LYS A 89 11.539 16.559 -12.208 1.00 73.53 C ATOM 1277 CG LYS A 89 10.414 15.662 -11.721 1.00 32.13 C ATOM 1278 CD LYS A 89 9.888 14.772 -12.834 1.00 74.12 C ATOM 1279 CE LYS A 89 10.761 13.542 -13.024 1.00 64.53 C ATOM 1280 NZ LYS A 89 11.957 13.834 -13.862 1.00 50.43 N ATOM 0 H LYS A 89 12.439 15.869 -9.931 1.00 43.13 H new ATOM 0 HA LYS A 89 12.734 18.243 -11.610 1.00 42.21 H new ATOM 0 HB2 LYS A 89 11.192 17.126 -13.072 1.00 73.53 H new ATOM 0 HB3 LYS A 89 12.367 15.937 -12.547 1.00 73.53 H new ATOM 0 HG2 LYS A 89 10.771 15.043 -10.898 1.00 32.13 H new ATOM 0 HG3 LYS A 89 9.602 16.275 -11.330 1.00 32.13 H new ATOM 0 HD2 LYS A 89 8.868 14.464 -12.603 1.00 74.12 H new ATOM 0 HD3 LYS A 89 9.847 15.338 -13.765 1.00 74.12 H new ATOM 0 HE2 LYS A 89 11.082 13.171 -12.051 1.00 64.53 H new ATOM 0 HE3 LYS A 89 10.175 12.750 -13.490 1.00 64.53 H new ATOM 0 HZ1 LYS A 89 12.122 13.044 -14.518 1.00 50.43 H new ATOM 0 HZ2 LYS A 89 11.796 14.707 -14.404 1.00 50.43 H new ATOM 0 HZ3 LYS A 89 12.789 13.955 -13.250 1.00 50.43 H new ATOM 1294 N ASP A 90 10.462 17.909 -9.351 1.00 20.20 N ATOM 1295 CA ASP A 90 9.354 18.568 -8.669 1.00 44.10 C ATOM 1296 C ASP A 90 9.833 19.821 -7.941 1.00 74.33 C ATOM 1297 O ASP A 90 9.056 20.747 -7.701 1.00 65.51 O ATOM 1298 CB ASP A 90 8.694 17.608 -7.678 1.00 52.41 C ATOM 1299 CG ASP A 90 7.679 18.301 -6.790 1.00 5.34 C ATOM 1300 OD1 ASP A 90 6.515 18.442 -7.217 1.00 71.12 O ATOM 1301 OD2 ASP A 90 8.051 18.704 -5.667 1.00 35.21 O ATOM 0 H ASP A 90 10.873 17.132 -8.834 1.00 20.20 H new ATOM 0 HA ASP A 90 8.621 18.863 -9.420 1.00 44.10 H new ATOM 0 HB2 ASP A 90 8.203 16.804 -8.227 1.00 52.41 H new ATOM 0 HB3 ASP A 90 9.462 17.147 -7.056 1.00 52.41 H new ATOM 1306 N LEU A 91 11.114 19.843 -7.592 1.00 20.41 N ATOM 1307 CA LEU A 91 11.696 20.981 -6.890 1.00 43.31 C ATOM 1308 C LEU A 91 12.284 21.986 -7.876 1.00 12.00 C ATOM 1309 O LEU A 91 12.606 23.116 -7.508 1.00 22.14 O ATOM 1310 CB LEU A 91 12.780 20.508 -5.920 1.00 62.21 C ATOM 1311 CG LEU A 91 12.295 20.040 -4.548 1.00 11.14 C ATOM 1312 CD1 LEU A 91 11.552 21.159 -3.834 1.00 44.32 C ATOM 1313 CD2 LEU A 91 11.407 18.812 -4.686 1.00 21.02 C ATOM 0 H LEU A 91 11.770 19.086 -7.784 1.00 20.41 H new ATOM 0 HA LEU A 91 10.903 21.473 -6.327 1.00 43.31 H new ATOM 0 HB2 LEU A 91 13.327 19.690 -6.388 1.00 62.21 H new ATOM 0 HB3 LEU A 91 13.489 21.323 -5.774 1.00 62.21 H new ATOM 0 HG LEU A 91 13.165 19.769 -3.950 1.00 11.14 H new ATOM 0 HD11 LEU A 91 11.214 20.807 -2.859 1.00 44.32 H new ATOM 0 HD12 LEU A 91 12.218 22.011 -3.701 1.00 44.32 H new ATOM 0 HD13 LEU A 91 10.690 21.461 -4.429 1.00 44.32 H new ATOM 0 HD21 LEU A 91 11.071 18.493 -3.699 1.00 21.02 H new ATOM 0 HD22 LEU A 91 10.542 19.056 -5.302 1.00 21.02 H new ATOM 0 HD23 LEU A 91 11.971 18.006 -5.155 1.00 21.02 H new ATOM 1325 N ILE A 92 12.418 21.568 -9.130 1.00 30.51 N ATOM 1326 CA ILE A 92 12.963 22.432 -10.169 1.00 42.10 C ATOM 1327 C ILE A 92 11.858 22.974 -11.069 1.00 61.45 C ATOM 1328 O ILE A 92 11.996 24.043 -11.662 1.00 71.03 O ATOM 1329 CB ILE A 92 13.997 21.688 -11.035 1.00 2.41 C ATOM 1330 CG1 ILE A 92 14.859 22.687 -11.810 1.00 12.41 C ATOM 1331 CG2 ILE A 92 13.299 20.731 -11.989 1.00 13.20 C ATOM 1332 CD1 ILE A 92 16.342 22.530 -11.558 1.00 31.53 C ATOM 0 H ILE A 92 12.156 20.636 -9.451 1.00 30.51 H new ATOM 0 HA ILE A 92 13.456 23.262 -9.663 1.00 42.10 H new ATOM 0 HB ILE A 92 14.647 21.107 -10.380 1.00 2.41 H new ATOM 0 HG12 ILE A 92 14.666 22.570 -12.876 1.00 12.41 H new ATOM 0 HG13 ILE A 92 14.558 23.699 -11.540 1.00 12.41 H new ATOM 0 HG21 ILE A 92 14.043 20.213 -12.594 1.00 13.20 H new ATOM 0 HG22 ILE A 92 12.725 20.002 -11.417 1.00 13.20 H new ATOM 0 HG23 ILE A 92 12.628 21.291 -12.640 1.00 13.20 H new ATOM 0 HD11 ILE A 92 16.890 23.271 -12.140 1.00 31.53 H new ATOM 0 HD12 ILE A 92 16.548 22.676 -10.498 1.00 31.53 H new ATOM 0 HD13 ILE A 92 16.658 21.530 -11.854 1.00 31.53 H new ATOM 1344 N GLU A 93 10.762 22.228 -11.165 1.00 54.11 N ATOM 1345 CA GLU A 93 9.632 22.635 -11.993 1.00 20.22 C ATOM 1346 C GLU A 93 8.754 23.643 -11.257 1.00 75.42 C ATOM 1347 O GLU A 93 7.751 24.115 -11.792 1.00 60.12 O ATOM 1348 CB GLU A 93 8.801 21.415 -12.395 1.00 34.21 C ATOM 1349 CG GLU A 93 7.963 20.849 -11.261 1.00 32.41 C ATOM 1350 CD GLU A 93 7.309 19.529 -11.621 1.00 63.52 C ATOM 1351 OE1 GLU A 93 7.578 19.017 -12.728 1.00 51.15 O ATOM 1352 OE2 GLU A 93 6.530 19.007 -10.797 1.00 14.31 O ATOM 0 H GLU A 93 10.632 21.340 -10.681 1.00 54.11 H new ATOM 0 HA GLU A 93 10.025 23.110 -12.892 1.00 20.22 H new ATOM 0 HB2 GLU A 93 8.143 21.690 -13.220 1.00 34.21 H new ATOM 0 HB3 GLU A 93 9.469 20.637 -12.765 1.00 34.21 H new ATOM 0 HG2 GLU A 93 8.593 20.710 -10.383 1.00 32.41 H new ATOM 0 HG3 GLU A 93 7.192 21.570 -10.989 1.00 32.41 H new ATOM 1359 N ALA A 94 9.138 23.966 -10.027 1.00 14.42 N ATOM 1360 CA ALA A 94 8.387 24.919 -9.218 1.00 32.42 C ATOM 1361 C ALA A 94 8.486 26.327 -9.794 1.00 24.01 C ATOM 1362 O ALA A 94 7.473 26.995 -10.003 1.00 4.11 O ATOM 1363 CB ALA A 94 8.885 24.898 -7.780 1.00 72.23 C ATOM 0 H ALA A 94 9.964 23.582 -9.569 1.00 14.42 H new ATOM 0 HA ALA A 94 7.338 24.623 -9.232 1.00 32.42 H new ATOM 0 HB1 ALA A 94 8.316 25.614 -7.187 1.00 72.23 H new ATOM 0 HB2 ALA A 94 8.755 23.899 -7.365 1.00 72.23 H new ATOM 0 HB3 ALA A 94 9.941 25.166 -7.757 1.00 72.23 H new ATOM 1369 N ILE A 95 9.712 26.772 -10.048 1.00 4.05 N ATOM 1370 CA ILE A 95 9.943 28.101 -10.600 1.00 10.12 C ATOM 1371 C ILE A 95 9.535 28.165 -12.068 1.00 32.04 C ATOM 1372 O ILE A 95 9.197 29.231 -12.583 1.00 23.12 O ATOM 1373 CB ILE A 95 11.421 28.516 -10.471 1.00 34.31 C ATOM 1374 CG1 ILE A 95 12.293 27.670 -11.401 1.00 1.21 C ATOM 1375 CG2 ILE A 95 11.886 28.378 -9.029 1.00 34.21 C ATOM 1376 CD1 ILE A 95 12.545 28.316 -12.746 1.00 31.44 C ATOM 0 H ILE A 95 10.561 26.232 -9.880 1.00 4.05 H new ATOM 0 HA ILE A 95 9.329 28.793 -10.024 1.00 10.12 H new ATOM 0 HB ILE A 95 11.517 29.561 -10.764 1.00 34.31 H new ATOM 0 HG12 ILE A 95 13.249 27.478 -10.914 1.00 1.21 H new ATOM 0 HG13 ILE A 95 11.814 26.703 -11.555 1.00 1.21 H new ATOM 0 HG21 ILE A 95 12.932 28.675 -8.954 1.00 34.21 H new ATOM 0 HG22 ILE A 95 11.280 29.019 -8.388 1.00 34.21 H new ATOM 0 HG23 ILE A 95 11.779 27.341 -8.710 1.00 34.21 H new ATOM 0 HD11 ILE A 95 13.170 27.661 -13.353 1.00 31.44 H new ATOM 0 HD12 ILE A 95 11.595 28.483 -13.253 1.00 31.44 H new ATOM 0 HD13 ILE A 95 13.052 29.270 -12.602 1.00 31.44 H new ATOM 1388 N ARG A 96 9.567 27.016 -12.735 1.00 55.34 N ATOM 1389 CA ARG A 96 9.199 26.941 -14.144 1.00 42.33 C ATOM 1390 C ARG A 96 7.705 27.186 -14.330 1.00 74.13 C ATOM 1391 O ARG A 96 7.272 27.684 -15.369 1.00 52.44 O ATOM 1392 CB ARG A 96 9.579 25.576 -14.720 1.00 71.12 C ATOM 1393 CG ARG A 96 9.786 25.586 -16.226 1.00 3.31 C ATOM 1394 CD ARG A 96 8.500 25.259 -16.968 1.00 30.43 C ATOM 1395 NE ARG A 96 8.451 25.890 -18.283 1.00 53.55 N ATOM 1396 CZ ARG A 96 7.613 25.521 -19.245 1.00 75.34 C ATOM 1397 NH1 ARG A 96 6.758 24.528 -19.039 1.00 51.23 N ATOM 1398 NH2 ARG A 96 7.628 26.145 -20.416 1.00 72.44 N ATOM 0 H ARG A 96 9.844 26.125 -12.323 1.00 55.34 H new ATOM 0 HA ARG A 96 9.746 27.718 -14.678 1.00 42.33 H new ATOM 0 HB2 ARG A 96 10.494 25.230 -14.238 1.00 71.12 H new ATOM 0 HB3 ARG A 96 8.797 24.857 -14.474 1.00 71.12 H new ATOM 0 HG2 ARG A 96 10.148 26.566 -16.538 1.00 3.31 H new ATOM 0 HG3 ARG A 96 10.556 24.862 -16.493 1.00 3.31 H new ATOM 0 HD2 ARG A 96 8.412 24.178 -17.081 1.00 30.43 H new ATOM 0 HD3 ARG A 96 7.646 25.588 -16.376 1.00 30.43 H new ATOM 0 HE ARG A 96 9.096 26.657 -18.474 1.00 53.55 H new ATOM 0 HH11 ARG A 96 6.743 24.046 -18.140 1.00 51.23 H new ATOM 0 HH12 ARG A 96 6.115 24.246 -19.779 1.00 51.23 H new ATOM 0 HH21 ARG A 96 8.284 26.909 -20.578 1.00 72.44 H new ATOM 0 HH22 ARG A 96 6.984 25.860 -21.154 1.00 72.44 H new ATOM 1412 N ARG A 97 6.922 26.831 -13.317 1.00 14.33 N ATOM 1413 CA ARG A 97 5.476 27.011 -13.369 1.00 73.42 C ATOM 1414 C ARG A 97 5.065 28.316 -12.694 1.00 51.25 C ATOM 1415 O ARG A 97 4.028 28.894 -13.018 1.00 73.01 O ATOM 1416 CB ARG A 97 4.769 25.832 -12.696 1.00 45.23 C ATOM 1417 CG ARG A 97 4.592 24.628 -13.607 1.00 11.22 C ATOM 1418 CD ARG A 97 4.555 23.331 -12.814 1.00 73.01 C ATOM 1419 NE ARG A 97 3.288 23.157 -12.108 1.00 2.21 N ATOM 1420 CZ ARG A 97 2.840 21.982 -11.682 1.00 33.32 C ATOM 1421 NH1 ARG A 97 3.551 20.882 -11.889 1.00 1.31 N ATOM 1422 NH2 ARG A 97 1.677 21.904 -11.046 1.00 43.54 N ATOM 0 H ARG A 97 7.265 26.417 -12.450 1.00 14.33 H new ATOM 0 HA ARG A 97 5.179 27.055 -14.417 1.00 73.42 H new ATOM 0 HB2 ARG A 97 5.339 25.531 -11.817 1.00 45.23 H new ATOM 0 HB3 ARG A 97 3.790 26.159 -12.345 1.00 45.23 H new ATOM 0 HG2 ARG A 97 3.669 24.734 -14.177 1.00 11.22 H new ATOM 0 HG3 ARG A 97 5.409 24.592 -14.328 1.00 11.22 H new ATOM 0 HD2 ARG A 97 4.713 22.489 -13.488 1.00 73.01 H new ATOM 0 HD3 ARG A 97 5.375 23.322 -12.095 1.00 73.01 H new ATOM 0 HE ARG A 97 2.716 23.983 -11.933 1.00 2.21 H new ATOM 0 HH11 ARG A 97 4.445 20.937 -12.377 1.00 1.31 H new ATOM 0 HH12 ARG A 97 3.204 19.981 -11.560 1.00 1.31 H new ATOM 0 HH21 ARG A 97 1.127 22.747 -10.884 1.00 43.54 H new ATOM 0 HH22 ARG A 97 1.334 21.001 -10.719 1.00 43.54 H new ATOM 1436 N ALA A 98 5.886 28.774 -11.755 1.00 14.40 N ATOM 1437 CA ALA A 98 5.609 30.012 -11.036 1.00 34.31 C ATOM 1438 C ALA A 98 6.031 31.228 -11.853 1.00 24.11 C ATOM 1439 O ALA A 98 5.281 32.196 -11.976 1.00 5.20 O ATOM 1440 CB ALA A 98 6.314 30.008 -9.688 1.00 20.12 C ATOM 0 H ALA A 98 6.748 28.307 -11.474 1.00 14.40 H new ATOM 0 HA ALA A 98 4.533 30.074 -10.871 1.00 34.31 H new ATOM 0 HB1 ALA A 98 6.099 30.938 -9.162 1.00 20.12 H new ATOM 0 HB2 ALA A 98 5.960 29.165 -9.095 1.00 20.12 H new ATOM 0 HB3 ALA A 98 7.390 29.918 -9.840 1.00 20.12 H new ATOM 1446 N SER A 99 7.237 31.171 -12.409 1.00 4.40 N ATOM 1447 CA SER A 99 7.762 32.271 -13.211 1.00 32.32 C ATOM 1448 C SER A 99 7.046 32.352 -14.556 1.00 31.14 C ATOM 1449 O SER A 99 7.159 33.346 -15.272 1.00 33.40 O ATOM 1450 CB SER A 99 9.266 32.097 -13.430 1.00 51.55 C ATOM 1451 OG SER A 99 9.889 33.342 -13.697 1.00 70.01 O ATOM 0 H SER A 99 7.869 30.375 -12.319 1.00 4.40 H new ATOM 0 HA SER A 99 7.586 33.200 -12.669 1.00 32.32 H new ATOM 0 HB2 SER A 99 9.715 31.644 -12.546 1.00 51.55 H new ATOM 0 HB3 SER A 99 9.439 31.414 -14.262 1.00 51.55 H new ATOM 0 HG SER A 99 10.850 33.205 -13.832 1.00 70.01 H new ATOM 1457 N ASN A 100 6.309 31.298 -14.891 1.00 61.12 N ATOM 1458 CA ASN A 100 5.575 31.248 -16.150 1.00 55.41 C ATOM 1459 C ASN A 100 4.504 32.334 -16.198 1.00 42.55 C ATOM 1460 O ASN A 100 4.152 32.827 -17.270 1.00 21.54 O ATOM 1461 CB ASN A 100 4.930 29.873 -16.335 1.00 1.01 C ATOM 1462 CG ASN A 100 4.816 29.479 -17.795 1.00 4.30 C ATOM 1463 OD1 ASN A 100 5.575 29.956 -18.639 1.00 3.21 O ATOM 1464 ND2 ASN A 100 3.865 28.605 -18.099 1.00 74.33 N ATOM 0 H ASN A 100 6.204 30.467 -14.308 1.00 61.12 H new ATOM 0 HA ASN A 100 6.282 31.422 -16.961 1.00 55.41 H new ATOM 0 HB2 ASN A 100 5.518 29.124 -15.804 1.00 1.01 H new ATOM 0 HB3 ASN A 100 3.938 29.877 -15.884 1.00 1.01 H new ATOM 0 HD21 ASN A 100 3.740 28.302 -19.065 1.00 74.33 H new ATOM 0 HD22 ASN A 100 3.259 28.236 -17.367 1.00 74.33 H new