USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 302 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=-0.0039) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=0.67) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 22:sc= 0.0285 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.107 (180deg=-0.363) USER MOD Single : A 46 THR OG1 : rot 160:sc= -0.721 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -9.590 18.672 -16.919 1.00 15.43 N ATOM 248 CA GLU A 16 -9.219 19.846 -17.701 1.00 31.40 C ATOM 249 C GLU A 16 -9.507 21.129 -16.927 1.00 23.10 C ATOM 250 O GLU A 16 -8.588 21.829 -16.502 1.00 4.10 O ATOM 251 CB GLU A 16 -9.975 19.859 -19.031 1.00 41.23 C ATOM 252 CG GLU A 16 -9.076 20.060 -20.240 1.00 31.40 C ATOM 253 CD GLU A 16 -8.948 21.518 -20.637 1.00 34.44 C ATOM 254 OE1 GLU A 16 -9.992 22.184 -20.792 1.00 55.42 O ATOM 255 OE2 GLU A 16 -7.803 21.992 -20.791 1.00 72.51 O ATOM 0 HA GLU A 16 -8.148 19.795 -17.900 1.00 31.40 H new ATOM 0 HB2 GLU A 16 -10.514 18.918 -19.142 1.00 41.23 H new ATOM 0 HB3 GLU A 16 -10.721 20.653 -19.007 1.00 41.23 H new ATOM 0 HG2 GLU A 16 -8.086 19.658 -20.023 1.00 31.40 H new ATOM 0 HG3 GLU A 16 -9.473 19.492 -21.081 1.00 31.40 H new ATOM 262 N ARG A 17 -10.789 21.431 -16.749 1.00 24.33 N ATOM 263 CA ARG A 17 -11.198 22.630 -16.028 1.00 11.00 C ATOM 264 C ARG A 17 -12.711 22.658 -15.835 1.00 55.53 C ATOM 265 O ARG A 17 -13.441 21.885 -16.457 1.00 43.43 O ATOM 266 CB ARG A 17 -10.745 23.883 -16.781 1.00 34.44 C ATOM 267 CG ARG A 17 -11.738 24.354 -17.831 1.00 64.33 C ATOM 268 CD ARG A 17 -11.996 23.278 -18.875 1.00 12.50 C ATOM 269 NE ARG A 17 -12.122 23.838 -20.218 1.00 41.30 N ATOM 270 CZ ARG A 17 -13.136 24.604 -20.603 1.00 15.51 C ATOM 271 NH1 ARG A 17 -14.108 24.901 -19.751 1.00 32.21 N ATOM 272 NH2 ARG A 17 -13.180 25.076 -21.842 1.00 52.42 N ATOM 0 H ARG A 17 -11.562 20.862 -17.094 1.00 24.33 H new ATOM 0 HA ARG A 17 -10.724 22.613 -15.046 1.00 11.00 H new ATOM 0 HB2 ARG A 17 -10.578 24.687 -16.064 1.00 34.44 H new ATOM 0 HB3 ARG A 17 -9.788 23.681 -17.262 1.00 34.44 H new ATOM 0 HG2 ARG A 17 -12.677 24.628 -17.349 1.00 64.33 H new ATOM 0 HG3 ARG A 17 -11.356 25.251 -18.318 1.00 64.33 H new ATOM 0 HD2 ARG A 17 -11.181 22.554 -18.859 1.00 12.50 H new ATOM 0 HD3 ARG A 17 -12.908 22.737 -18.621 1.00 12.50 H new ATOM 0 HE ARG A 17 -11.391 23.629 -20.898 1.00 41.30 H new ATOM 0 HH11 ARG A 17 -14.078 24.541 -18.797 1.00 32.21 H new ATOM 0 HH12 ARG A 17 -14.886 25.490 -20.050 1.00 32.21 H new ATOM 0 HH21 ARG A 17 -12.434 24.851 -22.500 1.00 52.42 H new ATOM 0 HH22 ARG A 17 -13.960 25.664 -22.136 1.00 52.42 H new ATOM 286 N ILE A 18 -13.176 23.554 -14.970 1.00 62.42 N ATOM 287 CA ILE A 18 -14.602 23.683 -14.696 1.00 63.45 C ATOM 288 C ILE A 18 -15.331 24.324 -15.872 1.00 32.10 C ATOM 289 O ILE A 18 -15.182 25.518 -16.133 1.00 23.30 O ATOM 290 CB ILE A 18 -14.858 24.520 -13.429 1.00 72.53 C ATOM 291 CG1 ILE A 18 -14.064 23.955 -12.250 1.00 10.15 C ATOM 292 CG2 ILE A 18 -16.345 24.551 -13.107 1.00 42.14 C ATOM 293 CD1 ILE A 18 -14.713 22.751 -11.605 1.00 35.41 C ATOM 0 H ILE A 18 -12.586 24.201 -14.447 1.00 62.42 H new ATOM 0 HA ILE A 18 -14.986 22.675 -14.539 1.00 63.45 H new ATOM 0 HB ILE A 18 -14.524 25.541 -13.612 1.00 72.53 H new ATOM 0 HG12 ILE A 18 -13.067 23.680 -12.593 1.00 10.15 H new ATOM 0 HG13 ILE A 18 -13.939 24.736 -11.500 1.00 10.15 H new ATOM 0 HG21 ILE A 18 -16.510 25.146 -12.209 1.00 42.14 H new ATOM 0 HG22 ILE A 18 -16.889 24.994 -13.941 1.00 42.14 H new ATOM 0 HG23 ILE A 18 -16.702 23.535 -12.940 1.00 42.14 H new ATOM 0 HD11 ILE A 18 -14.095 22.404 -10.777 1.00 35.41 H new ATOM 0 HD12 ILE A 18 -15.699 23.026 -11.231 1.00 35.41 H new ATOM 0 HD13 ILE A 18 -14.813 21.954 -12.341 1.00 35.41 H new ATOM 305 N VAL A 19 -16.123 23.523 -16.578 1.00 52.10 N ATOM 306 CA VAL A 19 -16.879 24.013 -17.725 1.00 33.45 C ATOM 307 C VAL A 19 -17.835 25.129 -17.317 1.00 24.51 C ATOM 308 O VAL A 19 -17.812 26.219 -17.888 1.00 63.34 O ATOM 309 CB VAL A 19 -17.684 22.881 -18.391 1.00 21.21 C ATOM 310 CG1 VAL A 19 -18.267 23.348 -19.716 1.00 0.34 C ATOM 311 CG2 VAL A 19 -16.810 21.651 -18.588 1.00 13.12 C ATOM 0 H VAL A 19 -16.258 22.532 -16.376 1.00 52.10 H new ATOM 0 HA VAL A 19 -16.154 24.403 -18.439 1.00 33.45 H new ATOM 0 HB VAL A 19 -18.510 22.611 -17.733 1.00 21.21 H new ATOM 0 HG11 VAL A 19 -18.832 22.535 -20.172 1.00 0.34 H new ATOM 0 HG12 VAL A 19 -18.928 24.197 -19.543 1.00 0.34 H new ATOM 0 HG13 VAL A 19 -17.459 23.647 -20.384 1.00 0.34 H new ATOM 0 HG21 VAL A 19 -17.395 20.861 -19.060 1.00 13.12 H new ATOM 0 HG22 VAL A 19 -15.963 21.905 -19.225 1.00 13.12 H new ATOM 0 HG23 VAL A 19 -16.446 21.305 -17.621 1.00 13.12 H new ATOM 321 N ARG A 20 -18.673 24.849 -16.325 1.00 34.12 N ATOM 322 CA ARG A 20 -19.638 25.829 -15.841 1.00 1.14 C ATOM 323 C ARG A 20 -20.194 25.419 -14.480 1.00 71.53 C ATOM 324 O ARG A 20 -19.733 24.451 -13.875 1.00 22.30 O ATOM 325 CB ARG A 20 -20.782 25.989 -16.844 1.00 4.52 C ATOM 326 CG ARG A 20 -21.533 24.698 -17.122 1.00 15.12 C ATOM 327 CD ARG A 20 -21.087 24.064 -18.430 1.00 25.35 C ATOM 328 NE ARG A 20 -22.196 23.896 -19.364 1.00 13.11 N ATOM 329 CZ ARG A 20 -22.666 24.874 -20.130 1.00 42.14 C ATOM 330 NH1 ARG A 20 -22.124 26.083 -20.074 1.00 53.10 N ATOM 331 NH2 ARG A 20 -23.679 24.644 -20.956 1.00 23.30 N ATOM 0 H ARG A 20 -18.704 23.952 -15.841 1.00 34.12 H new ATOM 0 HA ARG A 20 -19.124 26.784 -15.732 1.00 1.14 H new ATOM 0 HB2 ARG A 20 -21.483 26.733 -16.467 1.00 4.52 H new ATOM 0 HB3 ARG A 20 -20.381 26.375 -17.781 1.00 4.52 H new ATOM 0 HG2 ARG A 20 -21.370 23.998 -16.303 1.00 15.12 H new ATOM 0 HG3 ARG A 20 -22.603 24.900 -17.161 1.00 15.12 H new ATOM 0 HD2 ARG A 20 -20.317 24.684 -18.889 1.00 25.35 H new ATOM 0 HD3 ARG A 20 -20.635 23.093 -18.226 1.00 25.35 H new ATOM 0 HE ARG A 20 -22.634 22.977 -19.432 1.00 13.11 H new ATOM 0 HH11 ARG A 20 -21.344 26.264 -19.442 1.00 53.10 H new ATOM 0 HH12 ARG A 20 -22.487 26.832 -20.663 1.00 53.10 H new ATOM 0 HH21 ARG A 20 -24.098 23.715 -21.003 1.00 23.30 H new ATOM 0 HH22 ARG A 20 -24.039 25.396 -21.544 1.00 23.30 H new ATOM 345 N LYS A 21 -21.188 26.161 -14.005 1.00 2.35 N ATOM 346 CA LYS A 21 -21.808 25.876 -12.716 1.00 75.55 C ATOM 347 C LYS A 21 -23.259 26.348 -12.694 1.00 45.24 C ATOM 348 O LYS A 21 -23.648 27.226 -13.465 1.00 73.43 O ATOM 349 CB LYS A 21 -21.024 26.549 -11.588 1.00 40.44 C ATOM 350 CG LYS A 21 -21.160 28.062 -11.573 1.00 4.13 C ATOM 351 CD LYS A 21 -20.675 28.652 -10.259 1.00 23.21 C ATOM 352 CE LYS A 21 -21.579 29.780 -9.787 1.00 32.01 C ATOM 353 NZ LYS A 21 -20.870 30.710 -8.865 1.00 53.42 N ATOM 0 H LYS A 21 -21.582 26.965 -14.493 1.00 2.35 H new ATOM 0 HA LYS A 21 -21.793 24.797 -12.565 1.00 75.55 H new ATOM 0 HB2 LYS A 21 -21.366 26.152 -10.632 1.00 40.44 H new ATOM 0 HB3 LYS A 21 -19.970 26.288 -11.683 1.00 40.44 H new ATOM 0 HG2 LYS A 21 -20.588 28.488 -12.397 1.00 4.13 H new ATOM 0 HG3 LYS A 21 -22.203 28.336 -11.733 1.00 4.13 H new ATOM 0 HD2 LYS A 21 -20.639 27.871 -9.500 1.00 23.21 H new ATOM 0 HD3 LYS A 21 -19.658 29.026 -10.380 1.00 23.21 H new ATOM 0 HE2 LYS A 21 -21.948 30.335 -10.650 1.00 32.01 H new ATOM 0 HE3 LYS A 21 -22.449 29.361 -9.282 1.00 32.01 H new ATOM 0 HZ1 LYS A 21 -21.520 31.465 -8.566 1.00 53.42 H new ATOM 0 HZ2 LYS A 21 -20.540 30.186 -8.030 1.00 53.42 H new ATOM 0 HZ3 LYS A 21 -20.054 31.130 -9.355 1.00 53.42 H new ATOM 367 N LYS A 22 -24.054 25.763 -11.805 1.00 65.54 N ATOM 368 CA LYS A 22 -25.460 26.125 -11.680 1.00 52.21 C ATOM 369 C LYS A 22 -26.080 25.481 -10.444 1.00 73.34 C ATOM 370 O LYS A 22 -25.726 24.362 -10.073 1.00 24.43 O ATOM 371 CB LYS A 22 -26.231 25.699 -12.932 1.00 13.54 C ATOM 372 CG LYS A 22 -26.480 24.203 -13.013 1.00 54.40 C ATOM 373 CD LYS A 22 -27.944 23.869 -12.782 1.00 34.55 C ATOM 374 CE LYS A 22 -28.618 23.398 -14.062 1.00 2.43 C ATOM 375 NZ LYS A 22 -30.101 23.382 -13.934 1.00 54.54 N ATOM 0 H LYS A 22 -23.748 25.035 -11.160 1.00 65.54 H new ATOM 0 HA LYS A 22 -25.522 27.208 -11.573 1.00 52.21 H new ATOM 0 HB2 LYS A 22 -27.188 26.220 -12.954 1.00 13.54 H new ATOM 0 HB3 LYS A 22 -25.676 26.015 -13.815 1.00 13.54 H new ATOM 0 HG2 LYS A 22 -26.172 23.834 -13.991 1.00 54.40 H new ATOM 0 HG3 LYS A 22 -25.867 23.690 -12.271 1.00 54.40 H new ATOM 0 HD2 LYS A 22 -28.025 23.094 -12.020 1.00 34.55 H new ATOM 0 HD3 LYS A 22 -28.463 24.748 -12.399 1.00 34.55 H new ATOM 0 HE2 LYS A 22 -28.332 24.052 -14.885 1.00 2.43 H new ATOM 0 HE3 LYS A 22 -28.264 22.398 -14.312 1.00 2.43 H new ATOM 0 HZ1 LYS A 22 -30.523 23.055 -14.827 1.00 54.54 H new ATOM 0 HZ2 LYS A 22 -30.376 22.738 -13.165 1.00 54.54 H new ATOM 0 HZ3 LYS A 22 -30.441 24.341 -13.721 1.00 54.54 H new ATOM 389 N ILE A 23 -27.008 26.193 -9.814 1.00 22.03 N ATOM 390 CA ILE A 23 -27.678 25.688 -8.622 1.00 13.51 C ATOM 391 C ILE A 23 -29.140 25.363 -8.910 1.00 21.32 C ATOM 392 O ILE A 23 -29.768 25.982 -9.769 1.00 63.21 O ATOM 393 CB ILE A 23 -27.608 26.702 -7.465 1.00 13.52 C ATOM 394 CG1 ILE A 23 -28.704 27.760 -7.617 1.00 70.51 C ATOM 395 CG2 ILE A 23 -26.236 27.357 -7.417 1.00 0.33 C ATOM 396 CD1 ILE A 23 -29.967 27.435 -6.851 1.00 11.44 C ATOM 0 H ILE A 23 -27.313 27.121 -10.109 1.00 22.03 H new ATOM 0 HA ILE A 23 -27.156 24.777 -8.328 1.00 13.51 H new ATOM 0 HB ILE A 23 -27.769 26.171 -6.527 1.00 13.52 H new ATOM 0 HG12 ILE A 23 -28.319 28.721 -7.277 1.00 70.51 H new ATOM 0 HG13 ILE A 23 -28.948 27.870 -8.674 1.00 70.51 H new ATOM 0 HG21 ILE A 23 -26.202 28.071 -6.594 1.00 0.33 H new ATOM 0 HG22 ILE A 23 -25.473 26.593 -7.266 1.00 0.33 H new ATOM 0 HG23 ILE A 23 -26.048 27.877 -8.356 1.00 0.33 H new ATOM 0 HD11 ILE A 23 -30.700 28.227 -7.004 1.00 11.44 H new ATOM 0 HD12 ILE A 23 -30.375 26.489 -7.207 1.00 11.44 H new ATOM 0 HD13 ILE A 23 -29.737 27.354 -5.789 1.00 11.44 H new ATOM 408 N VAL A 24 -29.677 24.387 -8.184 1.00 13.42 N ATOM 409 CA VAL A 24 -31.067 23.981 -8.359 1.00 25.33 C ATOM 410 C VAL A 24 -31.746 23.754 -7.013 1.00 72.20 C ATOM 411 O VAL A 24 -31.285 22.953 -6.199 1.00 61.34 O ATOM 412 CB VAL A 24 -31.173 22.694 -9.199 1.00 12.23 C ATOM 413 CG1 VAL A 24 -32.385 22.754 -10.116 1.00 40.32 C ATOM 414 CG2 VAL A 24 -29.899 22.474 -9.999 1.00 65.22 C ATOM 0 H VAL A 24 -29.171 23.863 -7.470 1.00 13.42 H new ATOM 0 HA VAL A 24 -31.571 24.792 -8.885 1.00 25.33 H new ATOM 0 HB VAL A 24 -31.300 21.848 -8.523 1.00 12.23 H new ATOM 0 HG11 VAL A 24 -32.444 21.837 -10.702 1.00 40.32 H new ATOM 0 HG12 VAL A 24 -33.289 22.861 -9.517 1.00 40.32 H new ATOM 0 HG13 VAL A 24 -32.291 23.608 -10.787 1.00 40.32 H new ATOM 0 HG21 VAL A 24 -29.991 21.561 -10.586 1.00 65.22 H new ATOM 0 HG22 VAL A 24 -29.738 23.320 -10.667 1.00 65.22 H new ATOM 0 HG23 VAL A 24 -29.053 22.383 -9.318 1.00 65.22 H new ATOM 424 N HIS A 25 -32.846 24.464 -6.785 1.00 14.24 N ATOM 425 CA HIS A 25 -33.592 24.340 -5.537 1.00 25.40 C ATOM 426 C HIS A 25 -32.694 24.627 -4.337 1.00 51.31 C ATOM 427 O HIS A 25 -32.965 24.177 -3.225 1.00 1.03 O ATOM 428 CB HIS A 25 -34.192 22.939 -5.415 1.00 35.01 C ATOM 429 CG HIS A 25 -35.477 22.903 -4.645 1.00 5.12 C ATOM 430 ND1 HIS A 25 -35.672 22.094 -3.545 1.00 53.33 N ATOM 431 CD2 HIS A 25 -36.633 23.584 -4.820 1.00 11.12 C ATOM 432 CE1 HIS A 25 -36.894 22.278 -3.078 1.00 74.15 C ATOM 433 NE2 HIS A 25 -37.498 23.178 -3.834 1.00 32.51 N ATOM 0 H HIS A 25 -33.241 25.131 -7.448 1.00 14.24 H new ATOM 0 HA HIS A 25 -34.398 25.073 -5.549 1.00 25.40 H new ATOM 0 HB2 HIS A 25 -34.365 22.538 -6.414 1.00 35.01 H new ATOM 0 HB3 HIS A 25 -33.469 22.284 -4.930 1.00 35.01 H new ATOM 0 HD2 HIS A 25 -36.837 24.312 -5.592 1.00 11.12 H new ATOM 0 HE1 HIS A 25 -37.326 21.778 -2.224 1.00 74.15 H new ATOM 0 HE2 HIS A 25 -38.452 23.516 -3.706 1.00 32.51 H new ATOM 441 N GLY A 26 -31.623 25.380 -4.572 1.00 14.13 N ATOM 442 CA GLY A 26 -30.702 25.714 -3.501 1.00 72.22 C ATOM 443 C GLY A 26 -29.531 24.755 -3.424 1.00 61.22 C ATOM 444 O GLY A 26 -28.824 24.708 -2.419 1.00 23.13 O ATOM 0 H GLY A 26 -31.377 25.764 -5.484 1.00 14.13 H new ATOM 0 HA2 GLY A 26 -30.329 26.727 -3.650 1.00 72.22 H new ATOM 0 HA3 GLY A 26 -31.236 25.707 -2.551 1.00 72.22 H new ATOM 448 N ASN A 27 -29.326 23.986 -4.489 1.00 52.53 N ATOM 449 CA ASN A 27 -28.233 23.022 -4.537 1.00 74.21 C ATOM 450 C ASN A 27 -27.250 23.368 -5.651 1.00 52.50 C ATOM 451 O ASN A 27 -27.533 23.161 -6.832 1.00 12.44 O ATOM 452 CB ASN A 27 -28.782 21.609 -4.747 1.00 24.11 C ATOM 453 CG ASN A 27 -29.790 21.216 -3.685 1.00 12.44 C ATOM 454 OD1 ASN A 27 -30.999 21.270 -3.911 1.00 32.33 O ATOM 455 ND2 ASN A 27 -29.296 20.820 -2.518 1.00 20.43 N ATOM 0 H ASN A 27 -29.903 24.012 -5.330 1.00 52.53 H new ATOM 0 HA ASN A 27 -27.704 23.062 -3.585 1.00 74.21 H new ATOM 0 HB2 ASN A 27 -29.250 21.547 -5.729 1.00 24.11 H new ATOM 0 HB3 ASN A 27 -27.957 20.897 -4.742 1.00 24.11 H new ATOM 0 HD21 ASN A 27 -29.926 20.545 -1.764 1.00 20.43 H new ATOM 0 HD22 ASN A 27 -28.286 20.791 -2.375 1.00 20.43 H new ATOM 462 N THR A 28 -26.092 23.897 -5.268 1.00 12.34 N ATOM 463 CA THR A 28 -25.067 24.273 -6.233 1.00 1.44 C ATOM 464 C THR A 28 -24.480 23.045 -6.918 1.00 70.22 C ATOM 465 O THR A 28 -24.335 21.989 -6.303 1.00 21.34 O ATOM 466 CB THR A 28 -23.929 25.066 -5.563 1.00 2.32 C ATOM 467 OG1 THR A 28 -24.457 25.898 -4.524 1.00 2.21 O ATOM 468 CG2 THR A 28 -23.194 25.924 -6.582 1.00 70.11 C ATOM 0 H THR A 28 -25.841 24.075 -4.295 1.00 12.34 H new ATOM 0 HA THR A 28 -25.551 24.905 -6.978 1.00 1.44 H new ATOM 0 HB THR A 28 -23.224 24.354 -5.135 1.00 2.32 H new ATOM 0 HG1 THR A 28 -23.727 26.397 -4.102 1.00 2.21 H new ATOM 0 HG21 THR A 28 -22.395 26.475 -6.085 1.00 70.11 H new ATOM 0 HG22 THR A 28 -22.768 25.285 -7.356 1.00 70.11 H new ATOM 0 HG23 THR A 28 -23.892 26.628 -7.036 1.00 70.11 H new ATOM 476 N SER A 29 -24.143 23.190 -8.196 1.00 34.12 N ATOM 477 CA SER A 29 -23.575 22.090 -8.966 1.00 44.21 C ATOM 478 C SER A 29 -22.533 22.602 -9.957 1.00 13.24 C ATOM 479 O SER A 29 -22.806 23.503 -10.751 1.00 23.30 O ATOM 480 CB SER A 29 -24.678 21.338 -9.712 1.00 72.13 C ATOM 481 OG SER A 29 -25.653 20.839 -8.813 1.00 21.30 O ATOM 0 H SER A 29 -24.254 24.058 -8.720 1.00 34.12 H new ATOM 0 HA SER A 29 -23.086 21.407 -8.271 1.00 44.21 H new ATOM 0 HB2 SER A 29 -25.151 22.003 -10.434 1.00 72.13 H new ATOM 0 HB3 SER A 29 -24.243 20.513 -10.276 1.00 72.13 H new ATOM 0 HG SER A 29 -26.348 20.364 -9.315 1.00 21.30 H new ATOM 487 N TYR A 30 -21.340 22.022 -9.903 1.00 23.10 N ATOM 488 CA TYR A 30 -20.256 22.420 -10.793 1.00 5.11 C ATOM 489 C TYR A 30 -20.059 21.394 -11.905 1.00 3.02 C ATOM 490 O TYR A 30 -19.727 20.236 -11.646 1.00 44.41 O ATOM 491 CB TYR A 30 -18.956 22.589 -10.004 1.00 50.30 C ATOM 492 CG TYR A 30 -18.854 23.914 -9.283 1.00 4.31 C ATOM 493 CD1 TYR A 30 -19.872 24.353 -8.446 1.00 54.14 C ATOM 494 CD2 TYR A 30 -17.737 24.727 -9.437 1.00 72.04 C ATOM 495 CE1 TYR A 30 -19.783 25.563 -7.786 1.00 53.33 C ATOM 496 CE2 TYR A 30 -17.639 25.938 -8.780 1.00 42.11 C ATOM 497 CZ TYR A 30 -18.665 26.352 -7.956 1.00 45.01 C ATOM 498 OH TYR A 30 -18.571 27.558 -7.299 1.00 73.42 O ATOM 0 H TYR A 30 -21.099 21.274 -9.252 1.00 23.10 H new ATOM 0 HA TYR A 30 -20.525 23.374 -11.247 1.00 5.11 H new ATOM 0 HB2 TYR A 30 -18.875 21.782 -9.276 1.00 50.30 H new ATOM 0 HB3 TYR A 30 -18.111 22.490 -10.686 1.00 50.30 H new ATOM 0 HD1 TYR A 30 -20.749 23.737 -8.309 1.00 54.14 H new ATOM 0 HD2 TYR A 30 -16.932 24.406 -10.081 1.00 72.04 H new ATOM 0 HE1 TYR A 30 -20.585 25.889 -7.140 1.00 53.33 H new ATOM 0 HE2 TYR A 30 -16.764 26.557 -8.911 1.00 42.11 H new ATOM 0 HH TYR A 30 -19.162 27.552 -6.517 1.00 73.42 H new ATOM 508 N LEU A 31 -20.265 21.827 -13.143 1.00 53.15 N ATOM 509 CA LEU A 31 -20.110 20.948 -14.297 1.00 73.22 C ATOM 510 C LEU A 31 -18.685 21.004 -14.837 1.00 50.44 C ATOM 511 O LEU A 31 -18.263 22.014 -15.402 1.00 34.11 O ATOM 512 CB LEU A 31 -21.100 21.337 -15.396 1.00 73.05 C ATOM 513 CG LEU A 31 -21.163 20.402 -16.605 1.00 42.41 C ATOM 514 CD1 LEU A 31 -21.236 18.952 -16.155 1.00 32.32 C ATOM 515 CD2 LEU A 31 -22.353 20.750 -17.487 1.00 72.10 C ATOM 0 H LEU A 31 -20.540 22.782 -13.374 1.00 53.15 H new ATOM 0 HA LEU A 31 -20.317 19.927 -13.975 1.00 73.22 H new ATOM 0 HB2 LEU A 31 -22.095 21.397 -14.956 1.00 73.05 H new ATOM 0 HB3 LEU A 31 -20.847 22.337 -15.748 1.00 73.05 H new ATOM 0 HG LEU A 31 -20.253 20.534 -17.190 1.00 42.41 H new ATOM 0 HD11 LEU A 31 -21.280 18.302 -17.029 1.00 32.32 H new ATOM 0 HD12 LEU A 31 -20.352 18.709 -15.566 1.00 32.32 H new ATOM 0 HD13 LEU A 31 -22.129 18.804 -15.547 1.00 32.32 H new ATOM 0 HD21 LEU A 31 -22.382 20.075 -18.342 1.00 72.10 H new ATOM 0 HD22 LEU A 31 -23.274 20.648 -16.913 1.00 72.10 H new ATOM 0 HD23 LEU A 31 -22.257 21.777 -17.839 1.00 72.10 H new ATOM 527 N VAL A 32 -17.947 19.912 -14.662 1.00 54.52 N ATOM 528 CA VAL A 32 -16.570 19.836 -15.135 1.00 13.21 C ATOM 529 C VAL A 32 -16.417 18.766 -16.210 1.00 3.02 C ATOM 530 O VAL A 32 -17.049 17.711 -16.147 1.00 3.33 O ATOM 531 CB VAL A 32 -15.597 19.532 -13.981 1.00 3.43 C ATOM 532 CG1 VAL A 32 -15.774 18.102 -13.495 1.00 11.13 C ATOM 533 CG2 VAL A 32 -14.161 19.782 -14.416 1.00 4.10 C ATOM 0 H VAL A 32 -18.280 19.068 -14.196 1.00 54.52 H new ATOM 0 HA VAL A 32 -16.326 20.810 -15.559 1.00 13.21 H new ATOM 0 HB VAL A 32 -15.824 20.202 -13.152 1.00 3.43 H new ATOM 0 HG11 VAL A 32 -15.078 17.906 -12.679 1.00 11.13 H new ATOM 0 HG12 VAL A 32 -16.796 17.962 -13.142 1.00 11.13 H new ATOM 0 HG13 VAL A 32 -15.576 17.412 -14.315 1.00 11.13 H new ATOM 0 HG21 VAL A 32 -13.487 19.562 -13.588 1.00 4.10 H new ATOM 0 HG22 VAL A 32 -13.920 19.138 -15.262 1.00 4.10 H new ATOM 0 HG23 VAL A 32 -14.046 20.825 -14.710 1.00 4.10 H new ATOM 543 N LYS A 33 -15.572 19.044 -17.197 1.00 60.11 N ATOM 544 CA LYS A 33 -15.332 18.105 -18.287 1.00 13.14 C ATOM 545 C LYS A 33 -14.272 17.079 -17.898 1.00 14.42 C ATOM 546 O LYS A 33 -13.820 17.044 -16.753 1.00 40.25 O ATOM 547 CB LYS A 33 -14.893 18.855 -19.546 1.00 55.23 C ATOM 548 CG LYS A 33 -13.717 19.789 -19.320 1.00 31.15 C ATOM 549 CD LYS A 33 -13.239 20.409 -20.621 1.00 44.34 C ATOM 550 CE LYS A 33 -14.250 21.404 -21.170 1.00 11.35 C ATOM 551 NZ LYS A 33 -13.751 22.084 -22.397 1.00 63.41 N ATOM 0 H LYS A 33 -15.041 19.913 -17.265 1.00 60.11 H new ATOM 0 HA LYS A 33 -16.264 17.578 -18.492 1.00 13.14 H new ATOM 0 HB2 LYS A 33 -14.628 18.131 -20.316 1.00 55.23 H new ATOM 0 HB3 LYS A 33 -15.736 19.432 -19.927 1.00 55.23 H new ATOM 0 HG2 LYS A 33 -14.006 20.577 -18.625 1.00 31.15 H new ATOM 0 HG3 LYS A 33 -12.898 19.239 -18.856 1.00 31.15 H new ATOM 0 HD2 LYS A 33 -12.285 20.911 -20.457 1.00 44.34 H new ATOM 0 HD3 LYS A 33 -13.064 19.624 -21.356 1.00 44.34 H new ATOM 0 HE2 LYS A 33 -15.183 20.887 -21.396 1.00 11.35 H new ATOM 0 HE3 LYS A 33 -14.476 22.150 -20.408 1.00 11.35 H new ATOM 0 HZ1 LYS A 33 -14.369 22.889 -22.623 1.00 63.41 H new ATOM 0 HZ2 LYS A 33 -12.782 22.426 -22.235 1.00 63.41 H new ATOM 0 HZ3 LYS A 33 -13.753 21.413 -23.191 1.00 63.41 H new ATOM 565 N TRP A 34 -13.880 16.248 -18.857 1.00 13.54 N ATOM 566 CA TRP A 34 -12.872 15.223 -18.614 1.00 20.11 C ATOM 567 C TRP A 34 -11.714 15.355 -19.596 1.00 44.23 C ATOM 568 O TRP A 34 -11.534 14.514 -20.477 1.00 71.03 O ATOM 569 CB TRP A 34 -13.494 13.830 -18.725 1.00 15.24 C ATOM 570 CG TRP A 34 -14.560 13.573 -17.703 1.00 33.02 C ATOM 571 CD1 TRP A 34 -14.674 14.156 -16.473 1.00 33.41 C ATOM 572 CD2 TRP A 34 -15.661 12.665 -17.822 1.00 41.04 C ATOM 573 NE1 TRP A 34 -15.780 13.664 -15.821 1.00 5.53 N ATOM 574 CE2 TRP A 34 -16.402 12.749 -16.628 1.00 12.44 C ATOM 575 CE3 TRP A 34 -16.093 11.791 -18.823 1.00 75.20 C ATOM 576 CZ2 TRP A 34 -17.549 11.991 -16.409 1.00 14.43 C ATOM 577 CZ3 TRP A 34 -17.232 11.039 -18.604 1.00 71.01 C ATOM 578 CH2 TRP A 34 -17.950 11.144 -17.405 1.00 70.53 C ATOM 0 H TRP A 34 -14.245 16.264 -19.809 1.00 13.54 H new ATOM 0 HA TRP A 34 -12.486 15.361 -17.604 1.00 20.11 H new ATOM 0 HB2 TRP A 34 -13.919 13.708 -19.721 1.00 15.24 H new ATOM 0 HB3 TRP A 34 -12.710 13.080 -18.619 1.00 15.24 H new ATOM 0 HD1 TRP A 34 -13.996 14.894 -16.072 1.00 33.41 H new ATOM 0 HE1 TRP A 34 -16.087 13.936 -14.887 1.00 5.53 H new ATOM 0 HE3 TRP A 34 -15.547 11.705 -19.751 1.00 75.20 H new ATOM 0 HZ2 TRP A 34 -18.103 12.069 -15.485 1.00 14.43 H new ATOM 0 HZ3 TRP A 34 -17.574 10.359 -19.370 1.00 71.01 H new ATOM 0 HH2 TRP A 34 -18.837 10.544 -17.265 1.00 70.53 H new ATOM 754 N GLU A 45 -20.676 17.946 -10.517 1.00 23.31 N ATOM 755 CA GLU A 45 -20.273 17.676 -9.141 1.00 51.45 C ATOM 756 C GLU A 45 -20.647 18.840 -8.228 1.00 23.15 C ATOM 757 O GLU A 45 -20.274 19.987 -8.478 1.00 63.40 O ATOM 758 CB GLU A 45 -18.766 17.420 -9.069 1.00 35.34 C ATOM 759 CG GLU A 45 -18.345 16.091 -9.675 1.00 13.54 C ATOM 760 CD GLU A 45 -17.768 15.138 -8.647 1.00 1.14 C ATOM 761 OE1 GLU A 45 -17.044 15.608 -7.743 1.00 72.34 O ATOM 762 OE2 GLU A 45 -18.039 13.923 -8.745 1.00 0.20 O ATOM 0 HA GLU A 45 -20.802 16.785 -8.801 1.00 51.45 H new ATOM 0 HB2 GLU A 45 -18.244 18.226 -9.584 1.00 35.34 H new ATOM 0 HB3 GLU A 45 -18.450 17.451 -8.026 1.00 35.34 H new ATOM 0 HG2 GLU A 45 -19.206 15.625 -10.154 1.00 13.54 H new ATOM 0 HG3 GLU A 45 -17.605 16.270 -10.455 1.00 13.54 H new ATOM 769 N THR A 46 -21.387 18.537 -7.166 1.00 30.33 N ATOM 770 CA THR A 46 -21.813 19.556 -6.215 1.00 33.31 C ATOM 771 C THR A 46 -20.666 20.497 -5.866 1.00 61.15 C ATOM 772 O THR A 46 -19.499 20.111 -5.914 1.00 64.35 O ATOM 773 CB THR A 46 -22.355 18.923 -4.919 1.00 51.50 C ATOM 774 OG1 THR A 46 -21.833 17.599 -4.764 1.00 41.15 O ATOM 775 CG2 THR A 46 -23.876 18.876 -4.935 1.00 24.12 C ATOM 0 H THR A 46 -21.704 17.593 -6.943 1.00 30.33 H new ATOM 0 HA THR A 46 -22.610 20.123 -6.696 1.00 33.31 H new ATOM 0 HB THR A 46 -22.035 19.539 -4.079 1.00 51.50 H new ATOM 0 HG1 THR A 46 -21.906 17.326 -3.826 1.00 41.15 H new ATOM 0 HG21 THR A 46 -24.236 18.425 -4.010 1.00 24.12 H new ATOM 0 HG22 THR A 46 -24.270 19.888 -5.023 1.00 24.12 H new ATOM 0 HG23 THR A 46 -24.213 18.281 -5.784 1.00 24.12 H new ATOM 783 N GLU A 47 -21.006 21.733 -5.515 1.00 53.02 N ATOM 784 CA GLU A 47 -20.003 22.729 -5.159 1.00 25.12 C ATOM 785 C GLU A 47 -19.159 22.253 -3.979 1.00 50.34 C ATOM 786 O GLU A 47 -18.020 22.685 -3.803 1.00 44.03 O ATOM 787 CB GLU A 47 -20.673 24.061 -4.816 1.00 41.01 C ATOM 788 CG GLU A 47 -19.766 25.025 -4.070 1.00 23.33 C ATOM 789 CD GLU A 47 -20.430 26.361 -3.800 1.00 43.15 C ATOM 790 OE1 GLU A 47 -20.605 27.141 -4.760 1.00 35.23 O ATOM 791 OE2 GLU A 47 -20.774 26.627 -2.630 1.00 23.44 O ATOM 0 H GLU A 47 -21.968 22.068 -5.470 1.00 53.02 H new ATOM 0 HA GLU A 47 -19.348 22.871 -6.019 1.00 25.12 H new ATOM 0 HB2 GLU A 47 -21.013 24.535 -5.737 1.00 41.01 H new ATOM 0 HB3 GLU A 47 -21.559 23.867 -4.211 1.00 41.01 H new ATOM 0 HG2 GLU A 47 -19.465 24.576 -3.124 1.00 23.33 H new ATOM 0 HG3 GLU A 47 -18.857 25.186 -4.650 1.00 23.33 H new ATOM 798 N ASP A 48 -19.727 21.362 -3.175 1.00 13.12 N ATOM 799 CA ASP A 48 -19.029 20.827 -2.012 1.00 64.31 C ATOM 800 C ASP A 48 -18.320 19.520 -2.358 1.00 15.44 C ATOM 801 O ASP A 48 -17.644 18.928 -1.516 1.00 74.14 O ATOM 802 CB ASP A 48 -20.009 20.600 -0.861 1.00 14.45 C ATOM 803 CG ASP A 48 -19.461 21.079 0.469 1.00 12.04 C ATOM 804 OD1 ASP A 48 -19.106 22.272 0.570 1.00 72.14 O ATOM 805 OD2 ASP A 48 -19.386 20.261 1.410 1.00 73.51 O ATOM 0 H ASP A 48 -20.669 20.995 -3.307 1.00 13.12 H new ATOM 0 HA ASP A 48 -18.280 21.556 -1.702 1.00 64.31 H new ATOM 0 HB2 ASP A 48 -20.943 21.120 -1.075 1.00 14.45 H new ATOM 0 HB3 ASP A 48 -20.245 19.538 -0.792 1.00 14.45 H new ATOM 810 N ASP A 49 -18.481 19.077 -3.599 1.00 72.14 N ATOM 811 CA ASP A 49 -17.857 17.841 -4.057 1.00 34.45 C ATOM 812 C ASP A 49 -16.928 18.105 -5.237 1.00 0.01 C ATOM 813 O ASP A 49 -16.246 17.199 -5.717 1.00 50.34 O ATOM 814 CB ASP A 49 -18.926 16.821 -4.452 1.00 35.33 C ATOM 815 CG ASP A 49 -18.469 15.391 -4.240 1.00 61.12 C ATOM 816 OD1 ASP A 49 -17.300 15.194 -3.845 1.00 75.33 O ATOM 817 OD2 ASP A 49 -19.279 14.469 -4.469 1.00 15.12 O ATOM 0 H ASP A 49 -19.039 19.555 -4.307 1.00 72.14 H new ATOM 0 HA ASP A 49 -17.265 17.436 -3.236 1.00 34.45 H new ATOM 0 HB2 ASP A 49 -19.829 17.001 -3.868 1.00 35.33 H new ATOM 0 HB3 ASP A 49 -19.190 16.963 -5.500 1.00 35.33 H new ATOM 822 N ILE A 50 -16.907 19.350 -5.700 1.00 12.44 N ATOM 823 CA ILE A 50 -16.062 19.733 -6.823 1.00 43.34 C ATOM 824 C ILE A 50 -14.827 20.492 -6.349 1.00 51.40 C ATOM 825 O ILE A 50 -13.750 20.374 -6.934 1.00 55.43 O ATOM 826 CB ILE A 50 -16.830 20.605 -7.834 1.00 44.23 C ATOM 827 CG1 ILE A 50 -15.980 20.844 -9.084 1.00 62.11 C ATOM 828 CG2 ILE A 50 -17.228 21.928 -7.197 1.00 51.24 C ATOM 829 CD1 ILE A 50 -16.474 20.096 -10.303 1.00 23.15 C ATOM 0 H ILE A 50 -17.466 20.111 -5.314 1.00 12.44 H new ATOM 0 HA ILE A 50 -15.752 18.810 -7.313 1.00 43.34 H new ATOM 0 HB ILE A 50 -17.737 20.079 -8.130 1.00 44.23 H new ATOM 0 HG12 ILE A 50 -15.964 21.911 -9.304 1.00 62.11 H new ATOM 0 HG13 ILE A 50 -14.952 20.546 -8.877 1.00 62.11 H new ATOM 0 HG21 ILE A 50 -17.770 22.533 -7.924 1.00 51.24 H new ATOM 0 HG22 ILE A 50 -17.867 21.739 -6.334 1.00 51.24 H new ATOM 0 HG23 ILE A 50 -16.333 22.461 -6.876 1.00 51.24 H new ATOM 0 HD11 ILE A 50 -15.824 20.313 -11.151 1.00 23.15 H new ATOM 0 HD12 ILE A 50 -16.463 19.025 -10.102 1.00 23.15 H new ATOM 0 HD13 ILE A 50 -17.491 20.411 -10.536 1.00 23.15 H new ATOM 841 N ARG A 51 -14.991 21.270 -5.284 1.00 4.21 N ATOM 842 CA ARG A 51 -13.889 22.048 -4.730 1.00 13.41 C ATOM 843 C ARG A 51 -12.952 21.161 -3.916 1.00 62.03 C ATOM 844 O ARG A 51 -11.746 21.404 -3.855 1.00 61.43 O ATOM 845 CB ARG A 51 -14.427 23.180 -3.852 1.00 51.13 C ATOM 846 CG ARG A 51 -14.544 22.808 -2.383 1.00 55.32 C ATOM 847 CD ARG A 51 -15.775 21.954 -2.121 1.00 50.13 C ATOM 848 NE ARG A 51 -15.646 21.169 -0.897 1.00 24.32 N ATOM 849 CZ ARG A 51 -15.645 21.700 0.321 1.00 45.24 C ATOM 850 NH1 ARG A 51 -15.766 23.011 0.475 1.00 3.42 N ATOM 851 NH2 ARG A 51 -15.523 20.919 1.387 1.00 45.55 N ATOM 0 H ARG A 51 -15.876 21.378 -4.788 1.00 4.21 H new ATOM 0 HA ARG A 51 -13.327 22.476 -5.560 1.00 13.41 H new ATOM 0 HB2 ARG A 51 -13.772 24.046 -3.948 1.00 51.13 H new ATOM 0 HB3 ARG A 51 -15.408 23.480 -4.221 1.00 51.13 H new ATOM 0 HG2 ARG A 51 -13.651 22.266 -2.071 1.00 55.32 H new ATOM 0 HG3 ARG A 51 -14.594 23.715 -1.780 1.00 55.32 H new ATOM 0 HD2 ARG A 51 -16.653 22.596 -2.049 1.00 50.13 H new ATOM 0 HD3 ARG A 51 -15.938 21.284 -2.966 1.00 50.13 H new ATOM 0 HE ARG A 51 -15.551 20.157 -0.981 1.00 24.32 H new ATOM 0 HH11 ARG A 51 -15.860 23.614 -0.342 1.00 3.42 H new ATOM 0 HH12 ARG A 51 -15.765 23.417 1.411 1.00 3.42 H new ATOM 0 HH21 ARG A 51 -15.430 19.910 1.272 1.00 45.55 H new ATOM 0 HH22 ARG A 51 -15.522 21.328 2.321 1.00 45.55 H new ATOM 865 N THR A 52 -13.514 20.131 -3.291 1.00 51.03 N ATOM 866 CA THR A 52 -12.730 19.209 -2.480 1.00 61.52 C ATOM 867 C THR A 52 -12.137 18.093 -3.334 1.00 2.52 C ATOM 868 O THR A 52 -11.176 17.435 -2.934 1.00 53.10 O ATOM 869 CB THR A 52 -13.581 18.584 -1.359 1.00 30.43 C ATOM 870 OG1 THR A 52 -12.818 17.594 -0.658 1.00 55.43 O ATOM 871 CG2 THR A 52 -14.843 17.951 -1.926 1.00 22.33 C ATOM 0 H THR A 52 -14.510 19.915 -3.331 1.00 51.03 H new ATOM 0 HA THR A 52 -11.923 19.789 -2.033 1.00 61.52 H new ATOM 0 HB THR A 52 -13.870 19.376 -0.668 1.00 30.43 H new ATOM 0 HG1 THR A 52 -13.366 17.203 0.054 1.00 55.43 H new ATOM 0 HG21 THR A 52 -15.428 17.516 -1.115 1.00 22.33 H new ATOM 0 HG22 THR A 52 -15.436 18.712 -2.433 1.00 22.33 H new ATOM 0 HG23 THR A 52 -14.571 17.170 -2.636 1.00 22.33 H new ATOM 879 N LYS A 53 -12.714 17.886 -4.512 1.00 52.35 N ATOM 880 CA LYS A 53 -12.242 16.852 -5.425 1.00 61.20 C ATOM 881 C LYS A 53 -11.439 17.461 -6.570 1.00 3.34 C ATOM 882 O LYS A 53 -10.407 16.923 -6.972 1.00 40.22 O ATOM 883 CB LYS A 53 -13.424 16.057 -5.984 1.00 54.41 C ATOM 884 CG LYS A 53 -13.120 15.355 -7.296 1.00 43.51 C ATOM 885 CD LYS A 53 -12.023 14.317 -7.131 1.00 70.33 C ATOM 886 CE LYS A 53 -11.013 14.387 -8.266 1.00 52.45 C ATOM 887 NZ LYS A 53 -9.663 13.929 -7.837 1.00 71.42 N ATOM 0 H LYS A 53 -13.510 18.421 -4.858 1.00 52.35 H new ATOM 0 HA LYS A 53 -11.591 16.180 -4.866 1.00 61.20 H new ATOM 0 HB2 LYS A 53 -13.732 15.315 -5.248 1.00 54.41 H new ATOM 0 HB3 LYS A 53 -14.268 16.731 -6.130 1.00 54.41 H new ATOM 0 HG2 LYS A 53 -14.024 14.874 -7.671 1.00 43.51 H new ATOM 0 HG3 LYS A 53 -12.817 16.090 -8.042 1.00 43.51 H new ATOM 0 HD2 LYS A 53 -11.514 14.472 -6.180 1.00 70.33 H new ATOM 0 HD3 LYS A 53 -12.465 13.321 -7.097 1.00 70.33 H new ATOM 0 HE2 LYS A 53 -11.358 13.772 -9.097 1.00 52.45 H new ATOM 0 HE3 LYS A 53 -10.949 15.412 -8.633 1.00 52.45 H new ATOM 0 HZ1 LYS A 53 -9.004 13.992 -8.639 1.00 71.42 H new ATOM 0 HZ2 LYS A 53 -9.322 14.532 -7.061 1.00 71.42 H new ATOM 0 HZ3 LYS A 53 -9.718 12.943 -7.511 1.00 71.42 H new ATOM 901 N TYR A 54 -11.917 18.586 -7.088 1.00 53.55 N ATOM 902 CA TYR A 54 -11.244 19.268 -8.187 1.00 51.44 C ATOM 903 C TYR A 54 -10.834 20.681 -7.782 1.00 60.04 C ATOM 904 O TYR A 54 -10.822 21.596 -8.604 1.00 53.15 O ATOM 905 CB TYR A 54 -12.154 19.322 -9.416 1.00 23.11 C ATOM 906 CG TYR A 54 -12.797 17.995 -9.751 1.00 53.41 C ATOM 907 CD1 TYR A 54 -12.062 16.972 -10.336 1.00 41.00 C ATOM 908 CD2 TYR A 54 -14.141 17.765 -9.482 1.00 1.32 C ATOM 909 CE1 TYR A 54 -12.646 15.759 -10.645 1.00 32.14 C ATOM 910 CE2 TYR A 54 -14.733 16.555 -9.786 1.00 32.34 C ATOM 911 CZ TYR A 54 -13.982 15.555 -10.367 1.00 62.03 C ATOM 912 OH TYR A 54 -14.567 14.347 -10.672 1.00 12.42 O ATOM 0 H TYR A 54 -12.768 19.046 -6.765 1.00 53.55 H new ATOM 0 HA TYR A 54 -10.344 18.704 -8.434 1.00 51.44 H new ATOM 0 HB2 TYR A 54 -12.936 20.063 -9.247 1.00 23.11 H new ATOM 0 HB3 TYR A 54 -11.573 19.662 -10.273 1.00 23.11 H new ATOM 0 HD1 TYR A 54 -11.016 17.128 -10.553 1.00 41.00 H new ATOM 0 HD2 TYR A 54 -14.733 18.546 -9.027 1.00 1.32 H new ATOM 0 HE1 TYR A 54 -12.060 14.975 -11.102 1.00 32.14 H new ATOM 0 HE2 TYR A 54 -15.779 16.393 -9.570 1.00 32.34 H new ATOM 0 HH TYR A 54 -15.512 14.366 -10.412 1.00 12.42 H new ATOM 922 N GLY A 55 -10.497 20.850 -6.507 1.00 61.22 N ATOM 923 CA GLY A 55 -10.090 22.152 -6.014 1.00 10.53 C ATOM 924 C GLY A 55 -9.077 22.825 -6.919 1.00 20.21 C ATOM 925 O GLY A 55 -8.977 24.052 -6.947 1.00 33.41 O ATOM 0 H GLY A 55 -10.499 20.108 -5.807 1.00 61.22 H new ATOM 0 HA2 GLY A 55 -10.968 22.791 -5.918 1.00 10.53 H new ATOM 0 HA3 GLY A 55 -9.665 22.042 -5.016 1.00 10.53 H new ATOM 929 N ASP A 56 -8.322 22.021 -7.660 1.00 34.34 N ATOM 930 CA ASP A 56 -7.311 22.545 -8.570 1.00 10.21 C ATOM 931 C ASP A 56 -7.929 23.524 -9.564 1.00 33.53 C ATOM 932 O ASP A 56 -7.499 24.673 -9.669 1.00 70.14 O ATOM 933 CB ASP A 56 -6.627 21.401 -9.320 1.00 2.21 C ATOM 934 CG ASP A 56 -5.116 21.455 -9.204 1.00 72.22 C ATOM 935 OD1 ASP A 56 -4.513 22.404 -9.747 1.00 73.11 O ATOM 936 OD2 ASP A 56 -4.537 20.547 -8.572 1.00 4.05 O ATOM 0 H ASP A 56 -8.391 21.003 -7.648 1.00 34.34 H new ATOM 0 HA ASP A 56 -6.566 23.078 -7.978 1.00 10.21 H new ATOM 0 HB2 ASP A 56 -6.985 20.449 -8.929 1.00 2.21 H new ATOM 0 HB3 ASP A 56 -6.909 21.440 -10.372 1.00 2.21 H new ATOM 941 N LEU A 57 -8.940 23.060 -10.291 1.00 42.31 N ATOM 942 CA LEU A 57 -9.617 23.894 -11.278 1.00 54.10 C ATOM 943 C LEU A 57 -10.682 24.764 -10.617 1.00 44.31 C ATOM 944 O LEU A 57 -10.904 25.906 -11.021 1.00 24.13 O ATOM 945 CB LEU A 57 -10.256 23.021 -12.360 1.00 3.30 C ATOM 946 CG LEU A 57 -10.716 21.632 -11.917 1.00 12.23 C ATOM 947 CD1 LEU A 57 -11.969 21.219 -12.673 1.00 60.52 C ATOM 948 CD2 LEU A 57 -9.606 20.612 -12.121 1.00 70.23 C ATOM 0 H LEU A 57 -9.308 22.112 -10.216 1.00 42.31 H new ATOM 0 HA LEU A 57 -8.874 24.546 -11.737 1.00 54.10 H new ATOM 0 HB2 LEU A 57 -11.115 23.553 -12.768 1.00 3.30 H new ATOM 0 HB3 LEU A 57 -9.540 22.902 -13.173 1.00 3.30 H new ATOM 0 HG LEU A 57 -10.954 21.671 -10.854 1.00 12.23 H new ATOM 0 HD11 LEU A 57 -12.282 20.228 -12.345 1.00 60.52 H new ATOM 0 HD12 LEU A 57 -12.766 21.935 -12.475 1.00 60.52 H new ATOM 0 HD13 LEU A 57 -11.758 21.197 -13.742 1.00 60.52 H new ATOM 0 HD21 LEU A 57 -9.951 19.629 -11.800 1.00 70.23 H new ATOM 0 HD22 LEU A 57 -9.335 20.575 -13.176 1.00 70.23 H new ATOM 0 HD23 LEU A 57 -8.735 20.900 -11.533 1.00 70.23 H new ATOM 960 N VAL A 58 -11.336 24.218 -9.597 1.00 71.33 N ATOM 961 CA VAL A 58 -12.375 24.945 -8.878 1.00 2.04 C ATOM 962 C VAL A 58 -11.854 26.282 -8.364 1.00 3.43 C ATOM 963 O VAL A 58 -12.577 27.279 -8.352 1.00 23.23 O ATOM 964 CB VAL A 58 -12.913 24.126 -7.690 1.00 33.33 C ATOM 965 CG1 VAL A 58 -13.838 24.975 -6.831 1.00 31.41 C ATOM 966 CG2 VAL A 58 -13.628 22.877 -8.185 1.00 12.44 C ATOM 0 H VAL A 58 -11.165 23.274 -9.250 1.00 71.33 H new ATOM 0 HA VAL A 58 -13.185 25.121 -9.585 1.00 2.04 H new ATOM 0 HB VAL A 58 -12.070 23.814 -7.074 1.00 33.33 H new ATOM 0 HG11 VAL A 58 -14.208 24.379 -5.997 1.00 31.41 H new ATOM 0 HG12 VAL A 58 -13.290 25.836 -6.447 1.00 31.41 H new ATOM 0 HG13 VAL A 58 -14.679 25.319 -7.433 1.00 31.41 H new ATOM 0 HG21 VAL A 58 -14.002 22.310 -7.333 1.00 12.44 H new ATOM 0 HG22 VAL A 58 -14.463 23.165 -8.824 1.00 12.44 H new ATOM 0 HG23 VAL A 58 -12.932 22.261 -8.754 1.00 12.44 H new ATOM 976 N ASP A 59 -10.595 26.297 -7.940 1.00 43.14 N ATOM 977 CA ASP A 59 -9.975 27.513 -7.426 1.00 50.13 C ATOM 978 C ASP A 59 -9.514 28.413 -8.569 1.00 33.03 C ATOM 979 O ASP A 59 -8.887 29.448 -8.343 1.00 23.34 O ATOM 980 CB ASP A 59 -8.790 27.165 -6.525 1.00 5.02 C ATOM 981 CG ASP A 59 -8.503 28.246 -5.502 1.00 12.44 C ATOM 982 OD1 ASP A 59 -9.091 28.193 -4.401 1.00 20.33 O ATOM 983 OD2 ASP A 59 -7.691 29.146 -5.801 1.00 62.12 O ATOM 0 H ASP A 59 -9.984 25.481 -7.942 1.00 43.14 H new ATOM 0 HA ASP A 59 -10.720 28.052 -6.841 1.00 50.13 H new ATOM 0 HB2 ASP A 59 -8.993 26.226 -6.010 1.00 5.02 H new ATOM 0 HB3 ASP A 59 -7.904 27.006 -7.140 1.00 5.02 H new ATOM 988 N ASP A 60 -9.829 28.011 -9.795 1.00 50.22 N ATOM 989 CA ASP A 60 -9.447 28.781 -10.973 1.00 54.05 C ATOM 990 C ASP A 60 -10.681 29.248 -11.740 1.00 43.32 C ATOM 991 O ASP A 60 -10.605 30.163 -12.561 1.00 1.14 O ATOM 992 CB ASP A 60 -8.550 27.944 -11.887 1.00 53.50 C ATOM 993 CG ASP A 60 -7.176 28.558 -12.068 1.00 24.31 C ATOM 994 OD1 ASP A 60 -7.094 29.684 -12.601 1.00 73.33 O ATOM 995 OD2 ASP A 60 -6.181 27.911 -11.677 1.00 10.21 O ATOM 0 H ASP A 60 -10.348 27.157 -9.999 1.00 50.22 H new ATOM 0 HA ASP A 60 -8.894 29.659 -10.639 1.00 54.05 H new ATOM 0 HB2 ASP A 60 -8.445 26.942 -11.470 1.00 53.50 H new ATOM 0 HB3 ASP A 60 -9.028 27.836 -12.861 1.00 53.50 H new ATOM 1000 N PHE A 61 -11.816 28.613 -11.468 1.00 40.31 N ATOM 1001 CA PHE A 61 -13.066 28.962 -12.134 1.00 4.43 C ATOM 1002 C PHE A 61 -13.896 29.907 -11.270 1.00 54.01 C ATOM 1003 O PHE A 61 -14.309 30.975 -11.721 1.00 72.23 O ATOM 1004 CB PHE A 61 -13.871 27.700 -12.448 1.00 63.30 C ATOM 1005 CG PHE A 61 -15.201 27.980 -13.086 1.00 50.43 C ATOM 1006 CD1 PHE A 61 -15.297 28.199 -14.451 1.00 40.12 C ATOM 1007 CD2 PHE A 61 -16.356 28.025 -12.322 1.00 4.13 C ATOM 1008 CE1 PHE A 61 -16.520 28.458 -15.041 1.00 2.42 C ATOM 1009 CE2 PHE A 61 -17.581 28.283 -12.906 1.00 14.52 C ATOM 1010 CZ PHE A 61 -17.664 28.499 -14.267 1.00 45.45 C ATOM 0 H PHE A 61 -11.896 27.854 -10.791 1.00 40.31 H new ATOM 0 HA PHE A 61 -12.822 29.470 -13.067 1.00 4.43 H new ATOM 0 HB2 PHE A 61 -13.287 27.062 -13.111 1.00 63.30 H new ATOM 0 HB3 PHE A 61 -14.030 27.141 -11.526 1.00 63.30 H new ATOM 0 HD1 PHE A 61 -14.406 28.167 -15.061 1.00 40.12 H new ATOM 0 HD2 PHE A 61 -16.298 27.856 -11.257 1.00 4.13 H new ATOM 0 HE1 PHE A 61 -16.581 28.628 -16.106 1.00 2.42 H new ATOM 0 HE2 PHE A 61 -18.473 28.316 -12.298 1.00 14.52 H new ATOM 0 HZ PHE A 61 -18.621 28.700 -14.726 1.00 45.45 H new