USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 828 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 2 CYS SG : rot 180:sc= -0.289 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.14) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -178:sc=-0.00321 (180deg=-0.0214) USER MOD Single : B 5 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.2) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 2 4.706 11.958 -0.693 1.00 0.00 N ATOM 60 CA CYS A 2 4.248 13.301 -0.323 1.00 0.00 C ATOM 61 C CYS A 2 5.350 14.344 -0.613 1.00 0.00 C ATOM 62 O CYS A 2 6.531 14.009 -0.745 1.00 0.00 O ATOM 63 CB CYS A 2 3.805 13.308 1.152 1.00 0.00 C ATOM 64 SG CYS A 2 3.016 14.852 1.709 1.00 0.00 S ATOM 0 HA CYS A 2 3.385 13.577 -0.928 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.110 12.484 1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.676 13.116 1.779 1.00 0.00 H new ATOM 0 HG CYS A 2 2.684 14.743 2.961 1.00 0.00 H new ATOM 69 N MET A 3 4.963 15.620 -0.689 1.00 0.00 N ATOM 70 CA MET A 3 5.852 16.782 -0.780 1.00 0.00 C ATOM 71 C MET A 3 5.278 17.955 0.033 1.00 0.00 C ATOM 72 O MET A 3 4.094 17.955 0.389 1.00 0.00 O ATOM 73 CB MET A 3 6.120 17.139 -2.263 1.00 0.00 C ATOM 74 CG MET A 3 4.899 17.637 -3.043 1.00 0.00 C ATOM 75 SD MET A 3 4.435 19.368 -2.756 1.00 0.00 S ATOM 76 CE MET A 3 3.108 19.531 -3.980 1.00 0.00 C ATOM 0 H MET A 3 3.978 15.883 -0.689 1.00 0.00 H new ATOM 0 HA MET A 3 6.820 16.542 -0.340 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.894 17.906 -2.302 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.519 16.258 -2.766 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.091 17.503 -4.108 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.047 17.005 -2.791 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.702 20.542 -3.944 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.505 19.335 -4.976 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.317 18.814 -3.757 1.00 0.00 H new ATOM 86 N ALA A 4 6.111 18.956 0.320 1.00 0.00 N ATOM 87 CA ALA A 4 5.724 20.152 1.072 1.00 0.00 C ATOM 88 C ALA A 4 6.074 21.454 0.331 1.00 0.00 C ATOM 89 O ALA A 4 6.795 21.446 -0.672 1.00 0.00 O ATOM 90 CB ALA A 4 6.375 20.092 2.461 1.00 0.00 C ATOM 0 H ALA A 4 7.090 18.959 0.032 1.00 0.00 H new ATOM 0 HA ALA A 4 4.639 20.163 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.095 20.977 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.034 19.199 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.459 20.057 2.354 1.00 0.00 H new ATOM 96 N LYS A 5 5.612 22.587 0.865 1.00 0.00 N ATOM 97 CA LYS A 5 6.219 23.899 0.629 1.00 0.00 C ATOM 98 C LYS A 5 7.098 24.326 1.813 1.00 0.00 C ATOM 99 O LYS A 5 6.827 23.952 2.954 1.00 0.00 O ATOM 100 CB LYS A 5 5.157 24.959 0.289 1.00 0.00 C ATOM 101 CG LYS A 5 4.155 25.233 1.426 1.00 0.00 C ATOM 102 CD LYS A 5 3.272 26.458 1.153 1.00 0.00 C ATOM 103 CE LYS A 5 2.344 26.256 -0.049 1.00 0.00 C ATOM 104 NZ LYS A 5 1.640 27.516 -0.401 1.00 0.00 N1+ ATOM 0 H LYS A 5 4.798 22.620 1.479 1.00 0.00 H new ATOM 0 HA LYS A 5 6.870 23.812 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.659 25.891 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.607 24.636 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.521 24.357 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.701 25.384 2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.673 26.675 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.906 27.327 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.923 25.908 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.614 25.479 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.969 27.334 -1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.124 27.869 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.334 28.228 -0.706 1.00 0.00 H new ATOM 118 N VAL A 6 8.116 25.143 1.545 1.00 0.00 N ATOM 119 CA VAL A 6 8.893 25.878 2.557 1.00 0.00 C ATOM 120 C VAL A 6 8.597 27.371 2.435 1.00 0.00 C ATOM 121 O VAL A 6 8.512 27.890 1.321 1.00 0.00 O ATOM 122 CB VAL A 6 10.399 25.585 2.446 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.274 26.537 3.270 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.705 24.168 2.935 1.00 0.00 C ATOM 0 H VAL A 6 8.436 25.321 0.593 1.00 0.00 H new ATOM 0 HA VAL A 6 8.589 25.538 3.547 1.00 0.00 H new ATOM 0 HB VAL A 6 10.636 25.715 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.323 26.269 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.117 27.561 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.005 26.458 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.775 23.977 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.401 24.069 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.158 23.447 2.327 1.00 0.00 H new ATOM 134 N VAL A 7 8.477 28.070 3.566 1.00 0.00 N ATOM 135 CA VAL A 7 8.349 29.536 3.643 1.00 0.00 C ATOM 136 C VAL A 7 9.362 30.141 4.622 1.00 0.00 C ATOM 137 O VAL A 7 9.620 29.583 5.694 1.00 0.00 O ATOM 138 CB VAL A 7 6.895 29.962 3.919 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.372 29.527 5.291 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.698 31.475 3.780 1.00 0.00 C ATOM 0 H VAL A 7 8.465 27.623 4.483 1.00 0.00 H new ATOM 0 HA VAL A 7 8.600 29.949 2.666 1.00 0.00 H new ATOM 0 HB VAL A 7 6.317 29.441 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.342 29.863 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.410 28.440 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.991 29.967 6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.657 31.727 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.342 31.993 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.954 31.784 2.766 1.00 0.00 H new ATOM 150 N LEU A 8 9.966 31.268 4.229 1.00 0.00 N ATOM 151 CA LEU A 8 11.028 31.975 4.956 1.00 0.00 C ATOM 152 C LEU A 8 11.069 33.472 4.572 1.00 0.00 C ATOM 153 O LEU A 8 10.441 33.892 3.598 1.00 0.00 O ATOM 154 CB LEU A 8 12.380 31.267 4.706 1.00 0.00 C ATOM 155 CG LEU A 8 12.936 31.335 3.264 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.955 32.466 3.078 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.647 30.031 2.896 1.00 0.00 C ATOM 0 H LEU A 8 9.717 31.734 3.356 1.00 0.00 H new ATOM 0 HA LEU A 8 10.818 31.941 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.121 31.699 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.272 30.218 4.981 1.00 0.00 H new ATOM 0 HG LEU A 8 12.072 31.513 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.313 32.468 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.481 33.422 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.796 32.313 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.030 30.100 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.475 29.861 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.943 29.201 2.963 1.00 0.00 H new ATOM 265 N VAL A 16 10.010 34.755 0.871 1.00 0.00 N ATOM 266 CA VAL A 16 10.447 33.671 -0.032 1.00 0.00 C ATOM 267 C VAL A 16 9.629 32.399 0.220 1.00 0.00 C ATOM 268 O VAL A 16 9.336 32.038 1.361 1.00 0.00 O ATOM 269 CB VAL A 16 11.963 33.418 0.134 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.466 32.149 -0.585 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.785 34.597 -0.400 1.00 0.00 C ATOM 0 HA VAL A 16 10.270 33.974 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 16 12.101 33.290 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.538 32.039 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.948 31.276 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.268 32.234 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.847 34.389 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.571 34.740 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.522 35.502 0.148 1.00 0.00 H new ATOM 281 N GLU A 17 9.284 31.695 -0.857 1.00 0.00 N ATOM 282 CA GLU A 17 8.494 30.463 -0.860 1.00 0.00 C ATOM 283 C GLU A 17 9.055 29.458 -1.890 1.00 0.00 C ATOM 284 O GLU A 17 9.405 29.842 -3.012 1.00 0.00 O ATOM 285 CB GLU A 17 7.027 30.838 -1.125 1.00 0.00 C ATOM 286 CG GLU A 17 6.081 29.641 -1.215 1.00 0.00 C ATOM 287 CD GLU A 17 4.611 30.057 -1.417 1.00 0.00 C ATOM 288 OE1 GLU A 17 3.707 29.329 -0.939 1.00 0.00 O ATOM 289 OE2 GLU A 17 4.330 31.088 -2.076 1.00 0.00 O1- ATOM 0 H GLU A 17 9.560 31.981 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 17 8.553 29.961 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.683 31.499 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.970 31.402 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.390 29.001 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.164 29.048 -0.304 1.00 0.00 H new ATOM 296 N ILE A 18 9.139 28.176 -1.519 1.00 0.00 N ATOM 297 CA ILE A 18 9.694 27.085 -2.337 1.00 0.00 C ATOM 298 C ILE A 18 8.668 25.949 -2.399 1.00 0.00 C ATOM 299 O ILE A 18 8.225 25.474 -1.353 1.00 0.00 O ATOM 300 CB ILE A 18 11.041 26.577 -1.761 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.082 27.704 -1.584 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.626 25.462 -2.650 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.272 27.312 -0.702 1.00 0.00 C ATOM 0 H ILE A 18 8.811 27.855 -0.608 1.00 0.00 H new ATOM 0 HA ILE A 18 9.896 27.457 -3.342 1.00 0.00 H new ATOM 0 HB ILE A 18 10.821 26.180 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.451 28.002 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.591 28.575 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.571 25.119 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.925 24.628 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.796 25.849 -3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.960 28.154 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.915 27.042 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.789 26.461 -1.145 1.00 0.00 H new ATOM 315 N GLY A 19 8.290 25.519 -3.606 1.00 0.00 N ATOM 316 CA GLY A 19 7.361 24.407 -3.838 1.00 0.00 C ATOM 317 C GLY A 19 8.045 23.056 -4.103 1.00 0.00 C ATOM 318 O GLY A 19 9.257 22.988 -4.319 1.00 0.00 O ATOM 0 H GLY A 19 8.629 25.943 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.709 24.307 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.725 24.652 -4.688 1.00 0.00 H new ATOM 322 N ASP A 20 7.251 21.981 -4.110 1.00 0.00 N ATOM 323 CA ASP A 20 7.671 20.601 -4.430 1.00 0.00 C ATOM 324 C ASP A 20 8.857 20.088 -3.584 1.00 0.00 C ATOM 325 O ASP A 20 9.726 19.370 -4.077 1.00 0.00 O ATOM 326 CB ASP A 20 7.881 20.407 -5.950 1.00 0.00 C ATOM 327 CG ASP A 20 6.765 21.005 -6.826 1.00 0.00 C ATOM 328 OD1 ASP A 20 7.086 21.525 -7.924 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.569 20.934 -6.455 1.00 0.00 O1- ATOM 0 H ASP A 20 6.258 22.044 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 20 6.839 19.961 -4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.831 20.859 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.960 19.340 -6.161 1.00 0.00 H new ATOM 334 N VAL A 21 8.933 20.488 -2.312 1.00 0.00 N ATOM 335 CA VAL A 21 10.023 20.137 -1.390 1.00 0.00 C ATOM 336 C VAL A 21 9.925 18.670 -0.961 1.00 0.00 C ATOM 337 O VAL A 21 8.898 18.220 -0.440 1.00 0.00 O ATOM 338 CB VAL A 21 10.064 21.078 -0.172 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.175 20.689 0.810 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.306 22.523 -0.629 1.00 0.00 C ATOM 0 H VAL A 21 8.222 21.080 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 21 10.963 20.267 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 21 9.101 20.992 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.171 21.377 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.005 19.673 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.140 20.740 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.333 23.180 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.257 22.583 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.500 22.834 -1.294 1.00 0.00 H new ATOM 350 N LEU A 22 11.019 17.932 -1.157 1.00 0.00 N ATOM 351 CA LEU A 22 11.186 16.512 -0.831 1.00 0.00 C ATOM 352 C LEU A 22 11.745 16.328 0.591 1.00 0.00 C ATOM 353 O LEU A 22 11.262 15.486 1.349 1.00 0.00 O ATOM 354 CB LEU A 22 12.123 15.936 -1.916 1.00 0.00 C ATOM 355 CG LEU A 22 12.205 14.411 -2.100 1.00 0.00 C ATOM 356 CD1 LEU A 22 12.859 13.659 -0.944 1.00 0.00 C ATOM 357 CD2 LEU A 22 10.836 13.805 -2.402 1.00 0.00 C ATOM 0 H LEU A 22 11.861 18.331 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 22 10.233 15.982 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.823 16.367 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.130 16.296 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 22 12.864 14.282 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.871 12.592 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.881 14.014 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.292 13.834 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.935 12.727 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.155 14.015 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.440 14.240 -3.319 1.00 0.00 H new ATOM 369 N GLU A 23 12.723 17.150 0.977 1.00 0.00 N ATOM 370 CA GLU A 23 13.359 17.130 2.298 1.00 0.00 C ATOM 371 C GLU A 23 13.972 18.493 2.689 1.00 0.00 C ATOM 372 O GLU A 23 14.302 19.319 1.831 1.00 0.00 O ATOM 373 CB GLU A 23 14.409 16.001 2.367 1.00 0.00 C ATOM 374 CG GLU A 23 15.588 16.170 1.396 1.00 0.00 C ATOM 375 CD GLU A 23 16.675 15.108 1.634 1.00 0.00 C ATOM 376 OE1 GLU A 23 17.050 14.388 0.679 1.00 0.00 O ATOM 377 OE2 GLU A 23 17.201 15.020 2.769 1.00 0.00 O1- ATOM 0 H GLU A 23 13.106 17.869 0.363 1.00 0.00 H new ATOM 0 HA GLU A 23 12.577 16.930 3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.797 15.944 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.917 15.051 2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.228 16.099 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.018 17.165 1.515 1.00 0.00 H new ATOM 384 N VAL A 24 14.131 18.702 4.000 1.00 0.00 N ATOM 385 CA VAL A 24 14.701 19.913 4.626 1.00 0.00 C ATOM 386 C VAL A 24 15.655 19.511 5.752 1.00 0.00 C ATOM 387 O VAL A 24 15.357 18.589 6.515 1.00 0.00 O ATOM 388 CB VAL A 24 13.589 20.839 5.168 1.00 0.00 C ATOM 389 CG1 VAL A 24 14.145 22.137 5.767 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.595 21.235 4.076 1.00 0.00 C ATOM 0 H VAL A 24 13.855 18.003 4.690 1.00 0.00 H new ATOM 0 HA VAL A 24 15.253 20.466 3.866 1.00 0.00 H new ATOM 0 HB VAL A 24 13.092 20.257 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.322 22.751 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.815 21.899 6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.694 22.685 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.830 21.886 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.120 21.762 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.125 20.339 3.669 1.00 0.00 H new ATOM 400 N ARG A 25 16.803 20.194 5.878 1.00 0.00 N ATOM 401 CA ARG A 25 17.856 19.899 6.868 1.00 0.00 C ATOM 402 C ARG A 25 18.368 21.184 7.523 1.00 0.00 C ATOM 403 O ARG A 25 18.829 22.090 6.827 1.00 0.00 O ATOM 404 CB ARG A 25 19.024 19.154 6.199 1.00 0.00 C ATOM 405 CG ARG A 25 18.622 17.844 5.508 1.00 0.00 C ATOM 406 CD ARG A 25 19.860 17.103 4.988 1.00 0.00 C ATOM 407 NE ARG A 25 19.487 15.907 4.217 1.00 0.00 N ATOM 408 CZ ARG A 25 20.273 14.920 3.839 1.00 0.00 C ATOM 409 NH1 ARG A 25 21.534 14.842 4.155 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 19.764 13.976 3.109 1.00 0.00 N ATOM 0 H ARG A 25 17.033 20.988 5.280 1.00 0.00 H new ATOM 0 HA ARG A 25 17.422 19.265 7.642 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.486 19.812 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.781 18.937 6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 25 18.080 17.209 6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.945 18.056 4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.450 17.772 4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.492 16.814 5.828 1.00 0.00 H new ATOM 0 HE ARG A 25 18.507 15.834 3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 25 21.963 15.571 4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 25 22.093 14.052 3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.780 14.011 2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.348 13.199 2.801 1.00 0.00 H new ATOM 424 N ALA A 26 18.322 21.258 8.852 1.00 0.00 N ATOM 425 CA ALA A 26 18.980 22.295 9.643 1.00 0.00 C ATOM 426 C ALA A 26 20.406 21.844 10.026 1.00 0.00 C ATOM 427 O ALA A 26 20.597 20.936 10.843 1.00 0.00 O ATOM 428 CB ALA A 26 18.113 22.612 10.866 1.00 0.00 C ATOM 0 H ALA A 26 17.814 20.582 9.422 1.00 0.00 H new ATOM 0 HA ALA A 26 19.087 23.211 9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.596 23.385 11.464 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.135 22.964 10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.990 21.712 11.468 1.00 0.00 H new ATOM 434 N GLU A 27 21.414 22.478 9.431 1.00 0.00 N ATOM 435 CA GLU A 27 22.824 22.376 9.835 1.00 0.00 C ATOM 436 C GLU A 27 23.129 23.300 11.038 1.00 0.00 C ATOM 437 O GLU A 27 22.294 24.117 11.446 1.00 0.00 O ATOM 438 CB GLU A 27 23.726 22.721 8.634 1.00 0.00 C ATOM 439 CG GLU A 27 23.502 21.811 7.415 1.00 0.00 C ATOM 440 CD GLU A 27 24.614 21.940 6.348 1.00 0.00 C ATOM 441 OE1 GLU A 27 24.789 20.985 5.552 1.00 0.00 O ATOM 442 OE2 GLU A 27 25.297 22.992 6.268 1.00 0.00 O1- ATOM 0 H GLU A 27 21.274 23.096 8.631 1.00 0.00 H new ATOM 0 HA GLU A 27 23.027 21.353 10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.548 23.756 8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.769 22.652 8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 27 23.445 20.775 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 27 22.541 22.053 6.961 1.00 0.00 H new ATOM 449 N GLY A 28 24.348 23.222 11.583 1.00 0.00 N ATOM 450 CA GLY A 28 24.853 24.064 12.686 1.00 0.00 C ATOM 451 C GLY A 28 25.127 25.534 12.315 1.00 0.00 C ATOM 452 O GLY A 28 26.165 26.085 12.691 1.00 0.00 O ATOM 0 H GLY A 28 25.040 22.547 11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.129 24.040 13.501 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.775 23.624 13.065 1.00 0.00 H new ATOM 456 N GLY A 29 24.236 26.168 11.540 1.00 0.00 N ATOM 457 CA GLY A 29 24.330 27.569 11.114 1.00 0.00 C ATOM 458 C GLY A 29 23.522 27.961 9.864 1.00 0.00 C ATOM 459 O GLY A 29 23.568 29.130 9.468 1.00 0.00 O ATOM 0 H GLY A 29 23.402 25.703 11.181 1.00 0.00 H new ATOM 0 HA2 GLY A 29 24.006 28.200 11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.379 27.800 10.929 1.00 0.00 H new ATOM 463 N ALA A 30 22.807 27.025 9.229 1.00 0.00 N ATOM 464 CA ALA A 30 22.031 27.230 8.000 1.00 0.00 C ATOM 465 C ALA A 30 20.925 26.170 7.821 1.00 0.00 C ATOM 466 O ALA A 30 21.057 25.047 8.308 1.00 0.00 O ATOM 467 CB ALA A 30 22.987 27.187 6.793 1.00 0.00 C ATOM 0 H ALA A 30 22.751 26.066 9.571 1.00 0.00 H new ATOM 0 HA ALA A 30 21.540 28.201 8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.420 27.338 5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.734 27.974 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.484 26.218 6.757 1.00 0.00 H new ATOM 473 N VAL A 31 19.867 26.493 7.071 1.00 0.00 N ATOM 474 CA VAL A 31 18.879 25.510 6.578 1.00 0.00 C ATOM 475 C VAL A 31 19.071 25.243 5.086 1.00 0.00 C ATOM 476 O VAL A 31 19.248 26.172 4.293 1.00 0.00 O ATOM 477 CB VAL A 31 17.423 25.929 6.885 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.406 24.939 6.303 1.00 0.00 C ATOM 479 CG2 VAL A 31 17.183 25.990 8.399 1.00 0.00 C ATOM 0 H VAL A 31 19.664 27.450 6.783 1.00 0.00 H new ATOM 0 HA VAL A 31 19.059 24.582 7.120 1.00 0.00 H new ATOM 0 HB VAL A 31 17.286 26.909 6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.396 25.272 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.525 24.889 5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.573 23.951 6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.152 26.287 8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.366 25.008 8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.860 26.718 8.846 1.00 0.00 H new ATOM 489 N ARG A 32 19.013 23.966 4.696 1.00 0.00 N ATOM 490 CA ARG A 32 19.039 23.466 3.310 1.00 0.00 C ATOM 491 C ARG A 32 17.698 22.828 2.939 1.00 0.00 C ATOM 492 O ARG A 32 17.066 22.173 3.771 1.00 0.00 O ATOM 493 CB ARG A 32 20.196 22.462 3.140 1.00 0.00 C ATOM 494 CG ARG A 32 21.576 23.128 3.282 1.00 0.00 C ATOM 495 CD ARG A 32 22.709 22.103 3.405 1.00 0.00 C ATOM 496 NE ARG A 32 22.900 21.304 2.188 1.00 0.00 N ATOM 497 CZ ARG A 32 23.818 20.375 1.999 1.00 0.00 C ATOM 498 NH1 ARG A 32 24.669 20.008 2.922 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 23.886 19.791 0.840 1.00 0.00 N ATOM 0 H ARG A 32 18.943 23.207 5.374 1.00 0.00 H new ATOM 0 HA ARG A 32 19.204 24.305 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.099 21.671 3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.123 21.990 2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.759 23.766 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.576 23.773 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.637 22.624 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.498 21.436 4.241 1.00 0.00 H new ATOM 0 HE ARG A 32 22.261 21.485 1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.643 20.446 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.358 19.284 2.721 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.237 20.053 0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.588 19.070 0.673 1.00 0.00 H new ATOM 513 N VAL A 33 17.281 23.012 1.686 1.00 0.00 N ATOM 514 CA VAL A 33 15.983 22.597 1.127 1.00 0.00 C ATOM 515 C VAL A 33 16.207 21.912 -0.228 1.00 0.00 C ATOM 516 O VAL A 33 16.840 22.507 -1.103 1.00 0.00 O ATOM 517 CB VAL A 33 15.058 23.824 0.957 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.695 23.445 0.362 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.806 24.566 2.279 1.00 0.00 C ATOM 0 H VAL A 33 17.866 23.479 0.993 1.00 0.00 H new ATOM 0 HA VAL A 33 15.505 21.896 1.811 1.00 0.00 H new ATOM 0 HB VAL A 33 15.592 24.481 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.080 24.340 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.839 22.992 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.196 22.734 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.150 25.418 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.334 23.890 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.754 24.918 2.685 1.00 0.00 H new ATOM 529 N THR A 34 15.695 20.692 -0.415 1.00 0.00 N ATOM 530 CA THR A 34 15.860 19.902 -1.654 1.00 0.00 C ATOM 531 C THR A 34 14.502 19.554 -2.266 1.00 0.00 C ATOM 532 O THR A 34 13.595 19.105 -1.558 1.00 0.00 O ATOM 533 CB THR A 34 16.690 18.635 -1.399 1.00 0.00 C ATOM 534 OG1 THR A 34 17.982 18.978 -0.941 1.00 0.00 O ATOM 535 CG2 THR A 34 16.878 17.763 -2.646 1.00 0.00 C ATOM 0 H THR A 34 15.145 20.212 0.297 1.00 0.00 H new ATOM 0 HA THR A 34 16.405 20.517 -2.371 1.00 0.00 H new ATOM 0 HB THR A 34 16.127 18.070 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.500 18.161 -0.781 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.473 16.886 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.904 17.444 -3.017 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.390 18.337 -3.418 1.00 0.00 H new ATOM 543 N THR A 35 14.346 19.759 -3.577 1.00 0.00 N ATOM 544 CA THR A 35 13.088 19.515 -4.302 1.00 0.00 C ATOM 545 C THR A 35 12.957 18.081 -4.830 1.00 0.00 C ATOM 546 O THR A 35 13.934 17.336 -4.970 1.00 0.00 O ATOM 547 CB THR A 35 12.883 20.504 -5.464 1.00 0.00 C ATOM 548 OG1 THR A 35 13.698 20.180 -6.574 1.00 0.00 O ATOM 549 CG2 THR A 35 13.134 21.965 -5.085 1.00 0.00 C ATOM 0 H THR A 35 15.097 20.103 -4.175 1.00 0.00 H new ATOM 0 HA THR A 35 12.307 19.671 -3.557 1.00 0.00 H new ATOM 0 HB THR A 35 11.830 20.403 -5.727 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.542 20.826 -7.294 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.970 22.600 -5.955 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.450 22.257 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.162 22.080 -4.741 1.00 0.00 H new ATOM 557 N LEU A 36 11.727 17.712 -5.189 1.00 0.00 N ATOM 558 CA LEU A 36 11.331 16.475 -5.870 1.00 0.00 C ATOM 559 C LEU A 36 12.057 16.269 -7.215 1.00 0.00 C ATOM 560 O LEU A 36 12.229 15.135 -7.667 1.00 0.00 O ATOM 561 CB LEU A 36 9.798 16.565 -6.043 1.00 0.00 C ATOM 562 CG LEU A 36 9.106 15.424 -6.807 1.00 0.00 C ATOM 563 CD1 LEU A 36 9.282 14.078 -6.114 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.604 15.702 -6.893 1.00 0.00 C ATOM 0 H LEU A 36 10.923 18.311 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 36 11.616 15.604 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.350 16.627 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.571 17.500 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 36 9.565 15.379 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.776 13.303 -6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.344 13.842 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.852 14.125 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.115 14.893 -7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.188 15.769 -5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.438 16.643 -7.418 1.00 0.00 H new ATOM 576 N PHE A 37 12.510 17.357 -7.839 1.00 0.00 N ATOM 577 CA PHE A 37 13.174 17.395 -9.150 1.00 0.00 C ATOM 578 C PHE A 37 14.692 17.674 -9.056 1.00 0.00 C ATOM 579 O PHE A 37 15.307 18.121 -10.025 1.00 0.00 O ATOM 580 CB PHE A 37 12.392 18.359 -10.058 1.00 0.00 C ATOM 581 CG PHE A 37 10.910 18.026 -10.139 1.00 0.00 C ATOM 582 CD1 PHE A 37 9.961 18.780 -9.422 1.00 0.00 C ATOM 583 CD2 PHE A 37 10.491 16.892 -10.860 1.00 0.00 C ATOM 584 CE1 PHE A 37 8.607 18.410 -9.436 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.138 16.516 -10.860 1.00 0.00 C ATOM 586 CZ PHE A 37 8.191 17.274 -10.151 1.00 0.00 C ATOM 0 H PHE A 37 12.421 18.285 -7.425 1.00 0.00 H new ATOM 0 HA PHE A 37 13.147 16.406 -9.608 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.511 19.377 -9.686 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.820 18.334 -11.060 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.276 19.646 -8.859 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.212 16.310 -11.415 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.882 19.001 -8.895 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.824 15.640 -11.408 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.150 16.986 -10.155 1.00 0.00 H new ATOM 596 N ASP A 38 15.297 17.380 -7.898 1.00 0.00 N ATOM 597 CA ASP A 38 16.744 17.435 -7.621 1.00 0.00 C ATOM 598 C ASP A 38 17.387 18.838 -7.756 1.00 0.00 C ATOM 599 O ASP A 38 18.576 18.972 -8.063 1.00 0.00 O ATOM 600 CB ASP A 38 17.477 16.326 -8.407 1.00 0.00 C ATOM 601 CG ASP A 38 18.889 15.999 -7.886 1.00 0.00 C ATOM 602 OD1 ASP A 38 19.176 16.184 -6.676 1.00 0.00 O ATOM 603 OD2 ASP A 38 19.714 15.482 -8.683 1.00 0.00 O1- ATOM 0 H ASP A 38 14.763 17.080 -7.082 1.00 0.00 H new ATOM 0 HA ASP A 38 16.869 17.231 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.874 15.419 -8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.550 16.627 -9.452 1.00 0.00 H new ATOM 608 N GLU A 39 16.615 19.901 -7.520 1.00 0.00 N ATOM 609 CA GLU A 39 17.147 21.245 -7.241 1.00 0.00 C ATOM 610 C GLU A 39 17.371 21.431 -5.730 1.00 0.00 C ATOM 611 O GLU A 39 16.739 20.769 -4.901 1.00 0.00 O ATOM 612 CB GLU A 39 16.220 22.335 -7.805 1.00 0.00 C ATOM 613 CG GLU A 39 16.082 22.240 -9.337 1.00 0.00 C ATOM 614 CD GLU A 39 15.349 23.452 -9.954 1.00 0.00 C ATOM 615 OE1 GLU A 39 15.626 24.619 -9.577 1.00 0.00 O ATOM 616 OE2 GLU A 39 14.493 23.252 -10.856 1.00 0.00 O1- ATOM 0 H GLU A 39 15.596 19.858 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 39 18.110 21.343 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.235 22.246 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.610 23.317 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 39 17.074 22.158 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.542 21.328 -9.592 1.00 0.00 H new ATOM 623 N GLU A 40 18.256 22.361 -5.350 1.00 0.00 N ATOM 624 CA GLU A 40 18.616 22.644 -3.953 1.00 0.00 C ATOM 625 C GLU A 40 18.758 24.153 -3.678 1.00 0.00 C ATOM 626 O GLU A 40 19.280 24.907 -4.504 1.00 0.00 O ATOM 627 CB GLU A 40 19.892 21.872 -3.570 1.00 0.00 C ATOM 628 CG GLU A 40 20.306 22.050 -2.094 1.00 0.00 C ATOM 629 CD GLU A 40 21.503 21.172 -1.682 1.00 0.00 C ATOM 630 OE1 GLU A 40 22.168 20.532 -2.536 1.00 0.00 O ATOM 631 OE2 GLU A 40 21.816 21.128 -0.467 1.00 0.00 O1- ATOM 0 H GLU A 40 18.753 22.950 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 40 17.798 22.298 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 40 19.738 20.812 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 40 20.711 22.201 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.556 23.096 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.455 21.814 -1.455 1.00 0.00 H new ATOM 638 N HIS A 41 18.334 24.571 -2.484 1.00 0.00 N ATOM 639 CA HIS A 41 18.426 25.932 -1.944 1.00 0.00 C ATOM 640 C HIS A 41 19.039 25.901 -0.538 1.00 0.00 C ATOM 641 O HIS A 41 18.846 24.932 0.201 1.00 0.00 O ATOM 642 CB HIS A 41 17.028 26.572 -1.921 1.00 0.00 C ATOM 643 CG HIS A 41 16.255 26.458 -3.215 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.339 27.337 -4.296 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.370 25.466 -3.518 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.500 26.853 -5.229 1.00 0.00 C ATOM 647 NE2 HIS A 41 14.900 25.736 -4.785 1.00 0.00 N ATOM 0 H HIS A 41 17.890 23.930 -1.827 1.00 0.00 H new ATOM 0 HA HIS A 41 19.074 26.534 -2.582 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.445 26.109 -1.125 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.131 27.627 -1.668 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.092 24.633 -2.889 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.332 27.299 -6.198 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.214 25.182 -5.298 1.00 0.00 H new ATOM 655 N ALA A 42 19.759 26.951 -0.146 1.00 0.00 N ATOM 656 CA ALA A 42 20.415 27.053 1.163 1.00 0.00 C ATOM 657 C ALA A 42 20.386 28.486 1.732 1.00 0.00 C ATOM 658 O ALA A 42 20.541 29.463 0.992 1.00 0.00 O ATOM 659 CB ALA A 42 21.847 26.518 1.046 1.00 0.00 C ATOM 0 H ALA A 42 19.907 27.770 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 42 19.858 26.445 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.342 26.590 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.821 25.476 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.397 27.108 0.312 1.00 0.00 H new ATOM 665 N PHE A 43 20.184 28.601 3.050 1.00 0.00 N ATOM 666 CA PHE A 43 19.885 29.853 3.757 1.00 0.00 C ATOM 667 C PHE A 43 20.606 29.914 5.125 1.00 0.00 C ATOM 668 O PHE A 43 20.189 29.232 6.070 1.00 0.00 O ATOM 669 CB PHE A 43 18.363 29.979 3.934 1.00 0.00 C ATOM 670 CG PHE A 43 17.576 29.921 2.642 1.00 0.00 C ATOM 671 CD1 PHE A 43 17.421 31.070 1.848 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.039 28.693 2.208 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.740 30.991 0.618 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.371 28.612 0.973 1.00 0.00 C ATOM 675 CZ PHE A 43 16.221 29.762 0.178 1.00 0.00 C ATOM 0 H PHE A 43 20.226 27.797 3.676 1.00 0.00 H new ATOM 0 HA PHE A 43 20.252 30.691 3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 43 18.019 29.180 4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 43 18.145 30.921 4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.825 32.015 2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 43 17.140 27.812 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.617 31.876 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.973 27.666 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.707 29.701 -0.770 1.00 0.00 H new ATOM 685 N PRO A 44 21.688 30.711 5.260 1.00 0.00 N ATOM 686 CA PRO A 44 22.391 30.880 6.533 1.00 0.00 C ATOM 687 C PRO A 44 21.558 31.672 7.553 1.00 0.00 C ATOM 688 O PRO A 44 20.798 32.575 7.194 1.00 0.00 O ATOM 689 CB PRO A 44 23.705 31.588 6.187 1.00 0.00 C ATOM 690 CG PRO A 44 23.348 32.406 4.946 1.00 0.00 C ATOM 691 CD PRO A 44 22.327 31.524 4.226 1.00 0.00 C ATOM 0 HA PRO A 44 22.575 29.919 7.014 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.046 32.224 7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.504 30.875 5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.926 33.376 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.223 32.598 4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.591 32.131 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.813 30.894 3.481 1.00 0.00 H new ATOM 699 N GLY A 45 21.712 31.344 8.838 1.00 0.00 N ATOM 700 CA GLY A 45 21.076 32.064 9.952 1.00 0.00 C ATOM 701 C GLY A 45 19.588 31.755 10.166 1.00 0.00 C ATOM 702 O GLY A 45 18.904 32.506 10.868 1.00 0.00 O ATOM 0 H GLY A 45 22.290 30.560 9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.615 31.829 10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.187 33.135 9.782 1.00 0.00 H new ATOM 706 N LEU A 46 19.074 30.665 9.584 1.00 0.00 N ATOM 707 CA LEU A 46 17.727 30.134 9.840 1.00 0.00 C ATOM 708 C LEU A 46 17.754 28.838 10.673 1.00 0.00 C ATOM 709 O LEU A 46 18.771 28.147 10.759 1.00 0.00 O ATOM 710 CB LEU A 46 16.966 29.916 8.512 1.00 0.00 C ATOM 711 CG LEU A 46 16.763 31.159 7.632 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.875 30.779 6.448 1.00 0.00 C ATOM 713 CD2 LEU A 46 16.062 32.301 8.364 1.00 0.00 C ATOM 0 H LEU A 46 19.596 30.112 8.904 1.00 0.00 H new ATOM 0 HA LEU A 46 17.197 30.880 10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.503 29.168 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.987 29.497 8.744 1.00 0.00 H new ATOM 0 HG LEU A 46 17.754 31.497 7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.722 31.652 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.357 29.990 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.912 30.423 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.948 33.150 7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.079 31.969 8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.658 32.600 9.226 1.00 0.00 H new ATOM 725 N ALA A 47 16.598 28.499 11.242 1.00 0.00 N ATOM 726 CA ALA A 47 16.262 27.211 11.850 1.00 0.00 C ATOM 727 C ALA A 47 14.810 26.820 11.490 1.00 0.00 C ATOM 728 O ALA A 47 14.006 27.673 11.101 1.00 0.00 O ATOM 729 CB ALA A 47 16.476 27.314 13.367 1.00 0.00 C ATOM 0 H ALA A 47 15.821 29.158 11.294 1.00 0.00 H new ATOM 0 HA ALA A 47 16.909 26.423 11.465 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.229 26.361 13.835 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.518 27.560 13.572 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.833 28.095 13.773 1.00 0.00 H new ATOM 735 N ILE A 48 14.450 25.532 11.605 1.00 0.00 N ATOM 736 CA ILE A 48 13.088 25.041 11.334 1.00 0.00 C ATOM 737 C ILE A 48 12.168 25.377 12.524 1.00 0.00 C ATOM 738 O ILE A 48 12.436 24.972 13.657 1.00 0.00 O ATOM 739 CB ILE A 48 13.099 23.526 11.002 1.00 0.00 C ATOM 740 CG1 ILE A 48 13.986 23.201 9.772 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.670 23.010 10.761 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.381 21.725 9.675 1.00 0.00 C ATOM 0 H ILE A 48 15.098 24.798 11.890 1.00 0.00 H new ATOM 0 HA ILE A 48 12.691 25.546 10.453 1.00 0.00 H new ATOM 0 HB ILE A 48 13.527 23.019 11.867 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.454 23.486 8.865 1.00 0.00 H new ATOM 0 HG13 ILE A 48 14.890 23.808 9.816 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.702 21.945 10.530 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.070 23.169 11.657 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.224 23.550 9.925 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.000 21.571 8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 48 14.941 21.439 10.565 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.483 21.112 9.599 1.00 0.00 H new ATOM 754 N GLY A 49 11.082 26.115 12.274 1.00 0.00 N ATOM 755 CA GLY A 49 10.114 26.580 13.273 1.00 0.00 C ATOM 756 C GLY A 49 8.857 25.712 13.404 1.00 0.00 C ATOM 757 O GLY A 49 8.452 25.366 14.513 1.00 0.00 O ATOM 0 H GLY A 49 10.843 26.418 11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.609 26.627 14.243 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.812 27.596 13.020 1.00 0.00 H new ATOM 761 N ARG A 50 8.258 25.306 12.274 1.00 0.00 N ATOM 762 CA ARG A 50 7.085 24.408 12.210 1.00 0.00 C ATOM 763 C ARG A 50 7.152 23.431 11.043 1.00 0.00 C ATOM 764 O ARG A 50 7.689 23.761 9.983 1.00 0.00 O ATOM 765 CB ARG A 50 5.770 25.196 12.115 1.00 0.00 C ATOM 766 CG ARG A 50 5.332 25.850 13.438 1.00 0.00 C ATOM 767 CD ARG A 50 3.891 26.373 13.372 1.00 0.00 C ATOM 768 NE ARG A 50 2.930 25.272 13.143 1.00 0.00 N ATOM 769 CZ ARG A 50 1.835 24.976 13.810 1.00 0.00 C ATOM 770 NH1 ARG A 50 1.330 25.742 14.734 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 1.246 23.850 13.549 1.00 0.00 N ATOM 0 H ARG A 50 8.582 25.599 11.352 1.00 0.00 H new ATOM 0 HA ARG A 50 7.107 23.840 13.140 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.878 25.972 11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.981 24.525 11.775 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.417 25.124 14.247 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.006 26.673 13.676 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.645 26.886 14.302 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.804 27.107 12.571 1.00 0.00 H new ATOM 0 HE ARG A 50 3.146 24.657 12.359 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.787 26.622 14.973 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.478 25.462 15.219 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.634 23.223 12.844 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.395 23.592 14.049 1.00 0.00 H new ATOM 785 N VAL A 51 6.528 22.268 11.233 1.00 0.00 N ATOM 786 CA VAL A 51 6.339 21.213 10.230 1.00 0.00 C ATOM 787 C VAL A 51 4.910 20.680 10.347 1.00 0.00 C ATOM 788 O VAL A 51 4.576 19.971 11.298 1.00 0.00 O ATOM 789 CB VAL A 51 7.368 20.079 10.420 1.00 0.00 C ATOM 790 CG1 VAL A 51 7.219 19.007 9.331 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.809 20.588 10.405 1.00 0.00 C ATOM 0 H VAL A 51 6.119 22.022 12.135 1.00 0.00 H new ATOM 0 HA VAL A 51 6.495 21.625 9.233 1.00 0.00 H new ATOM 0 HB VAL A 51 7.160 19.649 11.400 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.957 18.221 9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.218 18.579 9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.376 19.459 8.352 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.492 19.750 10.543 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.014 21.071 9.450 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.949 21.307 11.212 1.00 0.00 H new ATOM 801 N ASP A 52 4.053 21.037 9.393 1.00 0.00 N ATOM 802 CA ASP A 52 2.610 20.781 9.417 1.00 0.00 C ATOM 803 C ASP A 52 2.224 19.799 8.304 1.00 0.00 C ATOM 804 O ASP A 52 1.894 20.186 7.185 1.00 0.00 O ATOM 805 CB ASP A 52 1.852 22.117 9.290 1.00 0.00 C ATOM 806 CG ASP A 52 2.228 23.171 10.351 1.00 0.00 C ATOM 807 OD1 ASP A 52 1.999 24.378 10.103 1.00 0.00 O ATOM 808 OD2 ASP A 52 2.689 22.817 11.460 1.00 0.00 O1- ATOM 0 H ASP A 52 4.352 21.530 8.552 1.00 0.00 H new ATOM 0 HA ASP A 52 2.333 20.320 10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.040 22.534 8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.782 21.920 9.355 1.00 0.00 H new ATOM 813 N LEU A 53 2.297 18.498 8.601 1.00 0.00 N ATOM 814 CA LEU A 53 2.032 17.413 7.639 1.00 0.00 C ATOM 815 C LEU A 53 0.571 17.422 7.149 1.00 0.00 C ATOM 816 O LEU A 53 0.315 17.120 5.983 1.00 0.00 O ATOM 817 CB LEU A 53 2.354 16.041 8.272 1.00 0.00 C ATOM 818 CG LEU A 53 3.782 15.774 8.782 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.854 16.204 7.780 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.078 16.389 10.155 1.00 0.00 C ATOM 0 H LEU A 53 2.546 18.159 9.530 1.00 0.00 H new ATOM 0 HA LEU A 53 2.679 17.582 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.672 15.897 9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.119 15.274 7.534 1.00 0.00 H new ATOM 0 HG LEU A 53 3.824 14.691 8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.841 15.993 8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.723 15.653 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.763 17.273 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.103 16.157 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.951 17.470 10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.390 15.978 10.894 1.00 0.00 H new ATOM 832 N ARG A 54 -0.362 17.841 8.019 1.00 0.00 N ATOM 833 CA ARG A 54 -1.793 18.013 7.707 1.00 0.00 C ATOM 834 C ARG A 54 -2.030 18.964 6.521 1.00 0.00 C ATOM 835 O ARG A 54 -2.936 18.741 5.716 1.00 0.00 O ATOM 836 CB ARG A 54 -2.506 18.532 8.973 1.00 0.00 C ATOM 837 CG ARG A 54 -4.034 18.327 8.930 1.00 0.00 C ATOM 838 CD ARG A 54 -4.761 19.027 10.091 1.00 0.00 C ATOM 839 NE ARG A 54 -4.327 18.543 11.423 1.00 0.00 N ATOM 840 CZ ARG A 54 -3.565 19.180 12.295 1.00 0.00 C ATOM 841 NH1 ARG A 54 -3.023 20.338 12.060 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -3.319 18.688 13.471 1.00 0.00 N ATOM 0 H ARG A 54 -0.137 18.076 8.986 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.201 17.048 7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.101 18.022 9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.291 19.593 9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.421 18.706 7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.254 17.260 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.587 20.101 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.835 18.871 9.986 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.652 17.616 11.697 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.178 20.801 11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.443 20.783 12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.717 17.789 13.741 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.727 19.201 14.125 1.00 0.00 H new ATOM 856 N SER A 55 -1.198 19.999 6.401 1.00 0.00 N ATOM 857 CA SER A 55 -1.279 21.050 5.370 1.00 0.00 C ATOM 858 C SER A 55 -0.204 20.936 4.272 1.00 0.00 C ATOM 859 O SER A 55 -0.351 21.544 3.209 1.00 0.00 O ATOM 860 CB SER A 55 -1.174 22.430 6.036 1.00 0.00 C ATOM 861 OG SER A 55 -2.168 22.589 7.036 1.00 0.00 O ATOM 0 H SER A 55 -0.417 20.139 7.041 1.00 0.00 H new ATOM 0 HA SER A 55 -2.242 20.919 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.185 22.550 6.479 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.283 23.210 5.283 1.00 0.00 H new ATOM 0 HG SER A 55 -2.080 23.474 7.447 1.00 0.00 H new ATOM 867 N GLY A 56 0.884 20.191 4.513 1.00 0.00 N ATOM 868 CA GLY A 56 2.058 20.121 3.634 1.00 0.00 C ATOM 869 C GLY A 56 2.938 21.376 3.686 1.00 0.00 C ATOM 870 O GLY A 56 3.429 21.824 2.649 1.00 0.00 O ATOM 0 H GLY A 56 0.973 19.607 5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.658 19.254 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.725 19.963 2.608 1.00 0.00 H new ATOM 874 N VAL A 57 3.099 21.985 4.871 1.00 0.00 N ATOM 875 CA VAL A 57 3.786 23.284 5.056 1.00 0.00 C ATOM 876 C VAL A 57 4.929 23.188 6.068 1.00 0.00 C ATOM 877 O VAL A 57 4.754 22.663 7.167 1.00 0.00 O ATOM 878 CB VAL A 57 2.794 24.395 5.462 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.468 25.764 5.614 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.663 24.558 4.434 1.00 0.00 C ATOM 0 H VAL A 57 2.752 21.587 5.744 1.00 0.00 H new ATOM 0 HA VAL A 57 4.219 23.549 4.092 1.00 0.00 H new ATOM 0 HB VAL A 57 2.394 24.073 6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.723 26.506 5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.238 25.707 6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.923 26.053 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.988 25.350 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.087 24.818 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.111 23.622 4.349 1.00 0.00 H new ATOM 890 N ILE A 58 6.089 23.740 5.710 1.00 0.00 N ATOM 891 CA ILE A 58 7.256 23.913 6.585 1.00 0.00 C ATOM 892 C ILE A 58 7.572 25.408 6.691 1.00 0.00 C ATOM 893 O ILE A 58 7.619 26.113 5.682 1.00 0.00 O ATOM 894 CB ILE A 58 8.450 23.086 6.053 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.141 21.576 6.093 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.733 23.380 6.856 1.00 0.00 C ATOM 897 CD1 ILE A 58 9.094 20.718 5.259 1.00 0.00 C ATOM 0 H ILE A 58 6.251 24.093 4.767 1.00 0.00 H new ATOM 0 HA ILE A 58 7.044 23.540 7.587 1.00 0.00 H new ATOM 0 HB ILE A 58 8.613 23.382 5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.176 21.237 7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.122 21.416 5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.555 22.784 6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.979 24.439 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.573 23.125 7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.807 19.670 5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.042 21.027 4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.113 20.845 5.625 1.00 0.00 H new ATOM 909 N SER A 59 7.796 25.905 7.910 1.00 0.00 N ATOM 910 CA SER A 59 8.076 27.322 8.180 1.00 0.00 C ATOM 911 C SER A 59 9.407 27.494 8.904 1.00 0.00 C ATOM 912 O SER A 59 9.648 26.849 9.928 1.00 0.00 O ATOM 913 CB SER A 59 6.927 27.931 8.991 1.00 0.00 C ATOM 914 OG SER A 59 7.141 29.318 9.211 1.00 0.00 O ATOM 0 H SER A 59 7.788 25.328 8.751 1.00 0.00 H new ATOM 0 HA SER A 59 8.154 27.849 7.229 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.985 27.784 8.462 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.839 27.416 9.948 1.00 0.00 H new ATOM 0 HG SER A 59 6.395 29.686 9.729 1.00 0.00 H new ATOM 920 N LEU A 60 10.282 28.354 8.366 1.00 0.00 N ATOM 921 CA LEU A 60 11.596 28.677 8.928 1.00 0.00 C ATOM 922 C LEU A 60 11.588 30.012 9.697 1.00 0.00 C ATOM 923 O LEU A 60 10.834 30.937 9.372 1.00 0.00 O ATOM 924 CB LEU A 60 12.665 28.684 7.819 1.00 0.00 C ATOM 925 CG LEU A 60 12.699 27.441 6.904 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.879 27.554 5.942 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.838 26.138 7.684 1.00 0.00 C ATOM 0 H LEU A 60 10.087 28.858 7.501 1.00 0.00 H new ATOM 0 HA LEU A 60 11.845 27.899 9.650 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.508 29.565 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.644 28.794 8.286 1.00 0.00 H new ATOM 0 HG LEU A 60 11.749 27.413 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.906 26.678 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.768 28.451 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.807 27.614 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.856 25.298 6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.765 26.155 8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.993 26.029 8.363 1.00 0.00 H new ATOM 939 N ILE A 61 12.450 30.104 10.710 1.00 0.00 N ATOM 940 CA ILE A 61 12.591 31.241 11.641 1.00 0.00 C ATOM 941 C ILE A 61 14.066 31.643 11.794 1.00 0.00 C ATOM 942 O ILE A 61 14.963 30.842 11.534 1.00 0.00 O ATOM 943 CB ILE A 61 11.930 30.934 13.008 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.612 29.778 13.777 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.430 30.642 12.828 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.530 30.268 14.904 1.00 0.00 C ATOM 0 H ILE A 61 13.106 29.352 10.920 1.00 0.00 H new ATOM 0 HA ILE A 61 12.062 32.094 11.217 1.00 0.00 H new ATOM 0 HB ILE A 61 12.060 31.829 13.616 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.846 29.127 14.197 1.00 0.00 H new ATOM 0 HG13 ILE A 61 13.193 29.177 13.078 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.982 30.428 13.798 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.941 31.510 12.386 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.303 29.781 12.172 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.979 29.411 15.406 1.00 0.00 H new ATOM 0 HD12 ILE A 61 14.316 30.896 14.486 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.948 30.845 15.622 1.00 0.00 H new ATOM 958 N GLU A 62 14.320 32.881 12.211 1.00 0.00 N ATOM 959 CA GLU A 62 15.675 33.424 12.387 1.00 0.00 C ATOM 960 C GLU A 62 16.380 32.812 13.613 1.00 0.00 C ATOM 961 O GLU A 62 15.914 32.941 14.748 1.00 0.00 O ATOM 962 CB GLU A 62 15.636 34.953 12.515 1.00 0.00 C ATOM 963 CG GLU A 62 15.204 35.628 11.206 1.00 0.00 C ATOM 964 CD GLU A 62 15.255 37.165 11.306 1.00 0.00 C ATOM 965 OE1 GLU A 62 15.902 37.820 10.453 1.00 0.00 O ATOM 966 OE2 GLU A 62 14.640 37.740 12.240 1.00 0.00 O1- ATOM 0 H GLU A 62 13.584 33.549 12.441 1.00 0.00 H new ATOM 0 HA GLU A 62 16.247 33.155 11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.947 35.233 13.312 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.622 35.318 12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.852 35.296 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.191 35.314 10.953 1.00 0.00 H new ATOM 1113 N MET B 3 0.941 12.494 6.588 1.00 0.00 N ATOM 1114 CA MET B 3 1.248 12.213 8.000 1.00 0.00 C ATOM 1115 C MET B 3 2.634 11.553 8.109 1.00 0.00 C ATOM 1116 O MET B 3 3.146 11.013 7.121 1.00 0.00 O ATOM 1117 CB MET B 3 0.136 11.341 8.615 1.00 0.00 C ATOM 1118 CG MET B 3 0.016 9.944 7.990 1.00 0.00 C ATOM 1119 SD MET B 3 -1.503 9.044 8.425 1.00 0.00 S ATOM 1120 CE MET B 3 -1.215 8.749 10.191 1.00 0.00 C ATOM 0 HA MET B 3 1.282 13.144 8.567 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.322 11.234 9.684 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.817 11.858 8.508 1.00 0.00 H new ATOM 0 HG2 MET B 3 0.067 10.041 6.905 1.00 0.00 H new ATOM 0 HG3 MET B 3 0.876 9.348 8.297 1.00 0.00 H new ATOM 0 HE1 MET B 3 -2.043 8.173 10.603 1.00 0.00 H new ATOM 0 HE2 MET B 3 -0.286 8.193 10.320 1.00 0.00 H new ATOM 0 HE3 MET B 3 -1.142 9.704 10.712 1.00 0.00 H new ATOM 1130 N ALA B 4 3.253 11.601 9.290 1.00 0.00 N ATOM 1131 CA ALA B 4 4.654 11.208 9.493 1.00 0.00 C ATOM 1132 C ALA B 4 4.908 10.571 10.877 1.00 0.00 C ATOM 1133 O ALA B 4 3.993 10.428 11.691 1.00 0.00 O ATOM 1134 CB ALA B 4 5.520 12.464 9.287 1.00 0.00 C ATOM 0 H ALA B 4 2.793 11.917 10.144 1.00 0.00 H new ATOM 0 HA ALA B 4 4.916 10.433 8.772 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.570 12.209 9.430 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.374 12.845 8.276 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.230 13.228 10.008 1.00 0.00 H new ATOM 1140 N LYS B 5 6.168 10.211 11.155 1.00 0.00 N ATOM 1141 CA LYS B 5 6.662 9.843 12.498 1.00 0.00 C ATOM 1142 C LYS B 5 7.824 10.731 12.953 1.00 0.00 C ATOM 1143 O LYS B 5 8.676 11.105 12.150 1.00 0.00 O ATOM 1144 CB LYS B 5 6.977 8.336 12.566 1.00 0.00 C ATOM 1145 CG LYS B 5 8.165 7.885 11.705 1.00 0.00 C ATOM 1146 CD LYS B 5 8.302 6.359 11.740 1.00 0.00 C ATOM 1147 CE LYS B 5 9.514 5.857 10.943 1.00 0.00 C ATOM 1148 NZ LYS B 5 10.796 6.179 11.615 1.00 0.00 N1+ ATOM 0 H LYS B 5 6.893 10.165 10.439 1.00 0.00 H new ATOM 0 HA LYS B 5 5.865 10.032 13.217 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.176 8.068 13.603 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.092 7.780 12.257 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.025 8.220 10.677 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.082 8.347 12.069 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.391 6.029 12.775 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.395 5.907 11.338 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.437 4.778 10.808 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.504 6.304 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.512 5.472 11.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 11.116 7.123 11.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.660 6.169 12.646 1.00 0.00 H new ATOM 1162 N VAL B 6 7.856 11.062 14.242 1.00 0.00 N ATOM 1163 CA VAL B 6 8.951 11.806 14.894 1.00 0.00 C ATOM 1164 C VAL B 6 9.905 10.830 15.583 1.00 0.00 C ATOM 1165 O VAL B 6 9.450 9.891 16.234 1.00 0.00 O ATOM 1166 CB VAL B 6 8.402 12.851 15.887 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.480 13.448 16.797 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.764 14.022 15.131 1.00 0.00 C ATOM 0 H VAL B 6 7.104 10.817 14.886 1.00 0.00 H new ATOM 0 HA VAL B 6 9.506 12.351 14.130 1.00 0.00 H new ATOM 0 HB VAL B 6 7.677 12.314 16.499 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.026 14.175 17.470 1.00 0.00 H new ATOM 0 HG12 VAL B 6 9.944 12.653 17.381 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.238 13.941 16.188 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.381 14.751 15.845 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.512 14.495 14.495 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.944 13.654 14.514 1.00 0.00 H new ATOM 1178 N VAL B 7 11.215 11.073 15.492 1.00 0.00 N ATOM 1179 CA VAL B 7 12.261 10.399 16.284 1.00 0.00 C ATOM 1180 C VAL B 7 13.150 11.425 17.001 1.00 0.00 C ATOM 1181 O VAL B 7 13.457 12.487 16.450 1.00 0.00 O ATOM 1182 CB VAL B 7 13.053 9.385 15.424 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.862 10.033 14.294 1.00 0.00 C ATOM 1184 CG2 VAL B 7 14.002 8.534 16.273 1.00 0.00 C ATOM 0 H VAL B 7 11.595 11.765 14.846 1.00 0.00 H new ATOM 0 HA VAL B 7 11.783 9.811 17.067 1.00 0.00 H new ATOM 0 HB VAL B 7 12.286 8.755 14.974 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.390 9.260 13.735 1.00 0.00 H new ATOM 0 HG12 VAL B 7 13.188 10.568 13.625 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.584 10.732 14.718 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.538 7.836 15.630 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.717 9.182 16.780 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.428 7.977 17.014 1.00 0.00 H new ATOM 1194 N LEU B 8 13.544 11.121 18.241 1.00 0.00 N ATOM 1195 CA LEU B 8 14.335 11.989 19.123 1.00 0.00 C ATOM 1196 C LEU B 8 15.217 11.174 20.083 1.00 0.00 C ATOM 1197 O LEU B 8 15.052 9.959 20.220 1.00 0.00 O ATOM 1198 CB LEU B 8 13.386 12.963 19.860 1.00 0.00 C ATOM 1199 CG LEU B 8 12.437 12.351 20.916 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.030 12.354 22.332 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.131 13.140 20.983 1.00 0.00 C ATOM 0 H LEU B 8 13.312 10.228 18.677 1.00 0.00 H new ATOM 0 HA LEU B 8 15.029 12.578 18.523 1.00 0.00 H new ATOM 0 HB2 LEU B 8 13.994 13.723 20.351 1.00 0.00 H new ATOM 0 HB3 LEU B 8 12.778 13.474 19.113 1.00 0.00 H new ATOM 0 HG LEU B 8 12.274 11.322 20.597 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.316 11.912 23.027 1.00 0.00 H new ATOM 0 HD12 LEU B 8 13.952 11.773 22.341 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.243 13.379 22.635 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.475 12.695 21.731 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.344 14.174 21.256 1.00 0.00 H new ATOM 0 HD23 LEU B 8 10.641 13.115 20.010 1.00 0.00 H new ATOM 1309 N VAL B 16 13.701 7.659 21.383 1.00 0.00 N ATOM 1310 CA VAL B 16 12.233 7.729 21.517 1.00 0.00 C ATOM 1311 C VAL B 16 11.605 8.034 20.152 1.00 0.00 C ATOM 1312 O VAL B 16 12.157 8.807 19.370 1.00 0.00 O ATOM 1313 CB VAL B 16 11.826 8.772 22.585 1.00 0.00 C ATOM 1314 CG1 VAL B 16 10.313 9.025 22.642 1.00 0.00 C ATOM 1315 CG2 VAL B 16 12.284 8.363 23.992 1.00 0.00 C ATOM 0 HA VAL B 16 11.857 6.764 21.857 1.00 0.00 H new ATOM 0 HB VAL B 16 12.327 9.689 22.274 1.00 0.00 H new ATOM 0 HG11 VAL B 16 10.097 9.766 23.411 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.969 9.394 21.676 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.797 8.095 22.879 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.977 9.124 24.710 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.831 7.408 24.259 1.00 0.00 H new ATOM 0 HG23 VAL B 16 13.370 8.266 24.007 1.00 0.00 H new ATOM 1325 N GLU B 17 10.457 7.422 19.855 1.00 0.00 N ATOM 1326 CA GLU B 17 9.775 7.510 18.562 1.00 0.00 C ATOM 1327 C GLU B 17 8.247 7.615 18.732 1.00 0.00 C ATOM 1328 O GLU B 17 7.655 6.953 19.592 1.00 0.00 O ATOM 1329 CB GLU B 17 10.205 6.302 17.714 1.00 0.00 C ATOM 1330 CG GLU B 17 9.592 6.296 16.308 1.00 0.00 C ATOM 1331 CD GLU B 17 10.224 5.207 15.425 1.00 0.00 C ATOM 1332 OE1 GLU B 17 10.695 5.540 14.311 1.00 0.00 O ATOM 1333 OE2 GLU B 17 10.245 4.015 15.824 1.00 0.00 O1- ATOM 0 H GLU B 17 9.962 6.835 20.526 1.00 0.00 H new ATOM 0 HA GLU B 17 10.064 8.424 18.043 1.00 0.00 H new ATOM 0 HB2 GLU B 17 11.292 6.296 17.629 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.920 5.385 18.230 1.00 0.00 H new ATOM 0 HG2 GLU B 17 8.517 6.131 16.379 1.00 0.00 H new ATOM 0 HG3 GLU B 17 9.734 7.272 15.843 1.00 0.00 H new ATOM 1340 N ILE B 18 7.598 8.463 17.922 1.00 0.00 N ATOM 1341 CA ILE B 18 6.160 8.794 17.965 1.00 0.00 C ATOM 1342 C ILE B 18 5.560 8.668 16.557 1.00 0.00 C ATOM 1343 O ILE B 18 5.980 9.376 15.639 1.00 0.00 O ATOM 1344 CB ILE B 18 5.930 10.222 18.526 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.525 10.394 19.942 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.424 10.570 18.538 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.611 11.856 20.387 1.00 0.00 C ATOM 0 H ILE B 18 8.084 8.965 17.179 1.00 0.00 H new ATOM 0 HA ILE B 18 5.662 8.091 18.633 1.00 0.00 H new ATOM 0 HB ILE B 18 6.451 10.912 17.862 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.915 9.839 20.655 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.522 9.955 19.966 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.286 11.576 18.935 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.032 10.524 17.522 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.891 9.856 19.165 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.037 11.907 21.389 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.245 12.410 19.695 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.613 12.293 20.395 1.00 0.00 H new ATOM 1359 N GLY B 19 4.581 7.780 16.380 1.00 0.00 N ATOM 1360 CA GLY B 19 3.885 7.556 15.107 1.00 0.00 C ATOM 1361 C GLY B 19 2.664 8.458 14.881 1.00 0.00 C ATOM 1362 O GLY B 19 2.167 9.107 15.803 1.00 0.00 O ATOM 0 H GLY B 19 4.240 7.182 17.133 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.590 7.709 14.290 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.565 6.515 15.061 1.00 0.00 H new ATOM 1366 N ASP B 20 2.158 8.455 13.645 1.00 0.00 N ATOM 1367 CA ASP B 20 0.898 9.097 13.221 1.00 0.00 C ATOM 1368 C ASP B 20 0.805 10.612 13.504 1.00 0.00 C ATOM 1369 O ASP B 20 -0.256 11.143 13.831 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.321 8.298 13.728 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.259 6.786 13.435 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -0.773 5.995 14.262 1.00 0.00 O ATOM 1373 OD2 ASP B 20 0.277 6.370 12.379 1.00 0.00 O1- ATOM 0 H ASP B 20 2.632 7.986 12.873 1.00 0.00 H new ATOM 0 HA ASP B 20 0.893 9.058 12.132 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.413 8.443 14.804 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.223 8.707 13.273 1.00 0.00 H new ATOM 1378 N VAL B 21 1.937 11.313 13.404 1.00 0.00 N ATOM 1379 CA VAL B 21 2.092 12.757 13.641 1.00 0.00 C ATOM 1380 C VAL B 21 1.490 13.578 12.493 1.00 0.00 C ATOM 1381 O VAL B 21 1.773 13.317 11.322 1.00 0.00 O ATOM 1382 CB VAL B 21 3.578 13.111 13.864 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.807 14.605 14.087 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.121 12.348 15.077 1.00 0.00 C ATOM 0 H VAL B 21 2.817 10.869 13.142 1.00 0.00 H new ATOM 0 HA VAL B 21 1.542 13.014 14.546 1.00 0.00 H new ATOM 0 HB VAL B 21 4.104 12.823 12.954 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.870 14.792 14.238 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.461 15.160 13.215 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.253 14.931 14.967 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.170 12.603 15.228 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.550 12.621 15.964 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.030 11.276 14.903 1.00 0.00 H new ATOM 1394 N LEU B 22 0.705 14.607 12.839 1.00 0.00 N ATOM 1395 CA LEU B 22 0.133 15.584 11.898 1.00 0.00 C ATOM 1396 C LEU B 22 0.788 16.973 11.969 1.00 0.00 C ATOM 1397 O LEU B 22 0.732 17.711 10.986 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.387 15.701 12.128 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.214 14.447 11.794 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.702 14.788 11.895 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -1.969 13.913 10.380 1.00 0.00 C ATOM 0 H LEU B 22 0.442 14.789 13.808 1.00 0.00 H new ATOM 0 HA LEU B 22 0.338 15.205 10.897 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.558 15.958 13.173 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.763 16.531 11.530 1.00 0.00 H new ATOM 0 HG LEU B 22 -1.908 13.681 12.506 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.295 13.904 11.660 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.931 15.120 12.908 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.942 15.584 11.190 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.584 13.029 10.213 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.231 14.680 9.651 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -0.917 13.649 10.268 1.00 0.00 H new ATOM 1413 N GLU B 23 1.428 17.334 13.087 1.00 0.00 N ATOM 1414 CA GLU B 23 2.208 18.575 13.211 1.00 0.00 C ATOM 1415 C GLU B 23 3.302 18.502 14.292 1.00 0.00 C ATOM 1416 O GLU B 23 3.166 17.792 15.298 1.00 0.00 O ATOM 1417 CB GLU B 23 1.292 19.796 13.430 1.00 0.00 C ATOM 1418 CG GLU B 23 0.528 19.772 14.760 1.00 0.00 C ATOM 1419 CD GLU B 23 -0.474 20.930 14.831 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.660 20.727 14.468 1.00 0.00 O ATOM 1421 OE2 GLU B 23 -0.081 22.054 15.232 1.00 0.00 O1- ATOM 0 H GLU B 23 1.420 16.771 13.938 1.00 0.00 H new ATOM 0 HA GLU B 23 2.726 18.699 12.260 1.00 0.00 H new ATOM 0 HB2 GLU B 23 1.895 20.703 13.386 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.574 19.850 12.611 1.00 0.00 H new ATOM 0 HG2 GLU B 23 0.002 18.823 14.866 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.231 19.842 15.590 1.00 0.00 H new ATOM 1428 N VAL B 24 4.368 19.280 14.076 1.00 0.00 N ATOM 1429 CA VAL B 24 5.517 19.470 14.974 1.00 0.00 C ATOM 1430 C VAL B 24 5.842 20.965 15.071 1.00 0.00 C ATOM 1431 O VAL B 24 5.844 21.660 14.051 1.00 0.00 O ATOM 1432 CB VAL B 24 6.756 18.681 14.495 1.00 0.00 C ATOM 1433 CG1 VAL B 24 7.917 18.750 15.499 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.454 17.203 14.231 1.00 0.00 C ATOM 0 H VAL B 24 4.459 19.827 13.220 1.00 0.00 H new ATOM 0 HA VAL B 24 5.250 19.085 15.958 1.00 0.00 H new ATOM 0 HB VAL B 24 7.043 19.164 13.561 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.763 18.180 15.116 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.214 19.789 15.641 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.598 18.330 16.453 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.362 16.700 13.897 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.096 16.735 15.148 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.689 17.120 13.459 1.00 0.00 H new ATOM 1444 N ARG B 25 6.139 21.469 16.277 1.00 0.00 N ATOM 1445 CA ARG B 25 6.411 22.896 16.549 1.00 0.00 C ATOM 1446 C ARG B 25 7.656 23.072 17.417 1.00 0.00 C ATOM 1447 O ARG B 25 7.757 22.437 18.467 1.00 0.00 O ATOM 1448 CB ARG B 25 5.212 23.563 17.254 1.00 0.00 C ATOM 1449 CG ARG B 25 3.813 23.263 16.687 1.00 0.00 C ATOM 1450 CD ARG B 25 2.775 23.987 17.554 1.00 0.00 C ATOM 1451 NE ARG B 25 1.389 23.651 17.175 1.00 0.00 N ATOM 1452 CZ ARG B 25 0.288 24.220 17.628 1.00 0.00 C ATOM 1453 NH1 ARG B 25 0.310 25.180 18.505 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 -0.861 23.834 17.166 1.00 0.00 N ATOM 0 H ARG B 25 6.199 20.887 17.112 1.00 0.00 H new ATOM 0 HA ARG B 25 6.579 23.375 15.585 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.225 23.262 18.302 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.363 24.642 17.231 1.00 0.00 H new ATOM 0 HG2 ARG B 25 3.743 23.598 15.652 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.625 22.189 16.688 1.00 0.00 H new ATOM 0 HD2 ARG B 25 2.935 23.727 18.600 1.00 0.00 H new ATOM 0 HD3 ARG B 25 2.921 25.064 17.467 1.00 0.00 H new ATOM 0 HE ARG B 25 1.270 22.902 16.493 1.00 0.00 H new ATOM 0 HH11 ARG B 25 1.201 25.519 18.868 1.00 0.00 H new ATOM 0 HH12 ARG B 25 -0.564 25.594 18.830 1.00 0.00 H new ATOM 0 HH21 ARG B 25 -0.906 23.099 16.461 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -1.719 24.266 17.508 1.00 0.00 H new ATOM 1468 N ALA B 26 8.568 23.962 17.033 1.00 0.00 N ATOM 1469 CA ALA B 26 9.660 24.425 17.885 1.00 0.00 C ATOM 1470 C ALA B 26 9.236 25.690 18.654 1.00 0.00 C ATOM 1471 O ALA B 26 9.064 26.768 18.077 1.00 0.00 O ATOM 1472 CB ALA B 26 10.908 24.644 17.019 1.00 0.00 C ATOM 0 H ALA B 26 8.569 24.388 16.106 1.00 0.00 H new ATOM 0 HA ALA B 26 9.903 23.674 18.637 1.00 0.00 H new ATOM 0 HB1 ALA B 26 11.730 24.990 17.646 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.187 23.706 16.540 1.00 0.00 H new ATOM 0 HB3 ALA B 26 10.694 25.392 16.255 1.00 0.00 H new ATOM 1478 N GLU B 27 9.063 25.559 19.967 1.00 0.00 N ATOM 1479 CA GLU B 27 8.872 26.667 20.910 1.00 0.00 C ATOM 1480 C GLU B 27 10.224 27.297 21.317 1.00 0.00 C ATOM 1481 O GLU B 27 11.301 26.768 21.013 1.00 0.00 O ATOM 1482 CB GLU B 27 8.123 26.163 22.165 1.00 0.00 C ATOM 1483 CG GLU B 27 6.712 25.605 21.899 1.00 0.00 C ATOM 1484 CD GLU B 27 5.662 26.651 21.464 1.00 0.00 C ATOM 1485 OE1 GLU B 27 4.511 26.243 21.172 1.00 0.00 O ATOM 1486 OE2 GLU B 27 5.950 27.877 21.441 1.00 0.00 O1- ATOM 0 H GLU B 27 9.051 24.647 20.424 1.00 0.00 H new ATOM 0 HA GLU B 27 8.278 27.436 20.416 1.00 0.00 H new ATOM 0 HB2 GLU B 27 8.722 25.385 22.639 1.00 0.00 H new ATOM 0 HB3 GLU B 27 8.045 26.984 22.877 1.00 0.00 H new ATOM 0 HG2 GLU B 27 6.781 24.840 21.126 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.357 25.112 22.804 1.00 0.00 H new ATOM 1493 N GLY B 28 10.187 28.403 22.075 1.00 0.00 N ATOM 1494 CA GLY B 28 11.355 29.088 22.654 1.00 0.00 C ATOM 1495 C GLY B 28 12.043 28.351 23.823 1.00 0.00 C ATOM 1496 O GLY B 28 12.364 28.966 24.841 1.00 0.00 O ATOM 0 H GLY B 28 9.308 28.864 22.311 1.00 0.00 H new ATOM 0 HA2 GLY B 28 12.090 29.247 21.865 1.00 0.00 H new ATOM 0 HA3 GLY B 28 11.042 30.073 23.002 1.00 0.00 H new ATOM 1500 N GLY B 29 12.233 27.030 23.698 1.00 0.00 N ATOM 1501 CA GLY B 29 12.861 26.168 24.715 1.00 0.00 C ATOM 1502 C GLY B 29 12.470 24.680 24.669 1.00 0.00 C ATOM 1503 O GLY B 29 12.985 23.900 25.469 1.00 0.00 O ATOM 0 H GLY B 29 11.947 26.516 22.865 1.00 0.00 H new ATOM 0 HA2 GLY B 29 13.943 26.243 24.609 1.00 0.00 H new ATOM 0 HA3 GLY B 29 12.610 26.560 25.701 1.00 0.00 H new ATOM 1507 N ALA B 30 11.576 24.263 23.763 1.00 0.00 N ATOM 1508 CA ALA B 30 11.050 22.893 23.662 1.00 0.00 C ATOM 1509 C ALA B 30 10.543 22.565 22.246 1.00 0.00 C ATOM 1510 O ALA B 30 10.235 23.469 21.467 1.00 0.00 O ATOM 1511 CB ALA B 30 9.908 22.730 24.682 1.00 0.00 C ATOM 0 H ALA B 30 11.186 24.888 23.058 1.00 0.00 H new ATOM 0 HA ALA B 30 11.861 22.197 23.877 1.00 0.00 H new ATOM 0 HB1 ALA B 30 9.506 21.719 24.620 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.290 22.908 25.687 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.118 23.448 24.462 1.00 0.00 H new ATOM 1517 N VAL B 31 10.386 21.276 21.928 1.00 0.00 N ATOM 1518 CA VAL B 31 9.614 20.811 20.748 1.00 0.00 C ATOM 1519 C VAL B 31 8.303 20.152 21.178 1.00 0.00 C ATOM 1520 O VAL B 31 8.287 19.326 22.094 1.00 0.00 O ATOM 1521 CB VAL B 31 10.437 19.896 19.823 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.603 19.329 18.664 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.601 20.667 19.197 1.00 0.00 C ATOM 0 H VAL B 31 10.788 20.516 22.477 1.00 0.00 H new ATOM 0 HA VAL B 31 9.369 21.695 20.158 1.00 0.00 H new ATOM 0 HB VAL B 31 10.791 19.080 20.453 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.231 18.691 18.042 1.00 0.00 H new ATOM 0 HG12 VAL B 31 8.775 18.744 19.064 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.211 20.149 18.062 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.170 20.002 18.547 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.213 21.501 18.613 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.251 21.048 19.985 1.00 0.00 H new ATOM 1533 N ARG B 32 7.204 20.502 20.496 1.00 0.00 N ATOM 1534 CA ARG B 32 5.856 19.923 20.627 1.00 0.00 C ATOM 1535 C ARG B 32 5.522 19.034 19.427 1.00 0.00 C ATOM 1536 O ARG B 32 5.913 19.350 18.303 1.00 0.00 O ATOM 1537 CB ARG B 32 4.809 21.040 20.747 1.00 0.00 C ATOM 1538 CG ARG B 32 4.955 21.882 22.022 1.00 0.00 C ATOM 1539 CD ARG B 32 4.127 23.169 21.940 1.00 0.00 C ATOM 1540 NE ARG B 32 2.679 22.929 21.919 1.00 0.00 N ATOM 1541 CZ ARG B 32 1.736 23.836 21.761 1.00 0.00 C ATOM 1542 NH1 ARG B 32 1.983 25.100 21.530 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 0.497 23.460 21.848 1.00 0.00 N ATOM 0 H ARG B 32 7.232 21.242 19.795 1.00 0.00 H new ATOM 0 HA ARG B 32 5.839 19.311 21.529 1.00 0.00 H new ATOM 0 HB2 ARG B 32 4.886 21.694 19.878 1.00 0.00 H new ATOM 0 HB3 ARG B 32 3.813 20.597 20.725 1.00 0.00 H new ATOM 0 HG2 ARG B 32 4.636 21.297 22.885 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.005 22.132 22.177 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.370 23.804 22.792 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.410 23.718 21.042 1.00 0.00 H new ATOM 0 HE ARG B 32 2.372 21.964 22.039 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.947 25.428 21.464 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.212 25.758 21.416 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.273 22.483 22.035 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.252 24.142 21.730 1.00 0.00 H new ATOM 1557 N VAL B 33 4.759 17.966 19.659 1.00 0.00 N ATOM 1558 CA VAL B 33 4.349 16.955 18.662 1.00 0.00 C ATOM 1559 C VAL B 33 2.875 16.586 18.880 1.00 0.00 C ATOM 1560 O VAL B 33 2.486 16.331 20.019 1.00 0.00 O ATOM 1561 CB VAL B 33 5.230 15.689 18.770 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.849 14.610 17.749 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.723 15.994 18.587 1.00 0.00 C ATOM 0 H VAL B 33 4.388 17.765 20.588 1.00 0.00 H new ATOM 0 HA VAL B 33 4.476 17.377 17.665 1.00 0.00 H new ATOM 0 HB VAL B 33 5.048 15.319 19.779 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.501 13.746 17.873 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.813 14.309 17.907 1.00 0.00 H new ATOM 0 HG13 VAL B 33 4.961 15.008 16.740 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.296 15.071 18.672 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.887 16.433 17.603 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.048 16.695 19.356 1.00 0.00 H new ATOM 1573 N THR B 34 2.056 16.534 17.823 1.00 0.00 N ATOM 1574 CA THR B 34 0.622 16.180 17.919 1.00 0.00 C ATOM 1575 C THR B 34 0.215 15.116 16.895 1.00 0.00 C ATOM 1576 O THR B 34 0.524 15.235 15.705 1.00 0.00 O ATOM 1577 CB THR B 34 -0.273 17.428 17.812 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.031 18.348 18.842 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.768 17.113 17.925 1.00 0.00 C ATOM 0 H THR B 34 2.363 16.736 16.871 1.00 0.00 H new ATOM 0 HA THR B 34 0.472 15.743 18.906 1.00 0.00 H new ATOM 0 HB THR B 34 -0.070 17.842 16.825 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.546 19.136 18.758 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.342 18.036 17.841 1.00 0.00 H new ATOM 0 HG22 THR B 34 -2.058 16.432 17.125 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.970 16.647 18.889 1.00 0.00 H new ATOM 1587 N THR B 35 -0.499 14.080 17.348 1.00 0.00 N ATOM 1588 CA THR B 35 -0.934 12.936 16.524 1.00 0.00 C ATOM 1589 C THR B 35 -2.319 13.104 15.877 1.00 0.00 C ATOM 1590 O THR B 35 -3.124 13.959 16.254 1.00 0.00 O ATOM 1591 CB THR B 35 -0.907 11.616 17.322 1.00 0.00 C ATOM 1592 OG1 THR B 35 -1.977 11.569 18.243 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.409 11.390 18.073 1.00 0.00 C ATOM 0 H THR B 35 -0.800 14.007 18.320 1.00 0.00 H new ATOM 0 HA THR B 35 -0.206 12.900 15.713 1.00 0.00 H new ATOM 0 HB THR B 35 -1.006 10.820 16.584 1.00 0.00 H new ATOM 0 HG1 THR B 35 -1.945 10.724 18.739 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.362 10.445 18.613 1.00 0.00 H new ATOM 0 HG22 THR B 35 1.234 11.360 17.361 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.569 12.204 18.780 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.628 12.211 14.929 1.00 0.00 N ATOM 1602 CA LEU B 36 -3.941 11.989 14.307 1.00 0.00 C ATOM 1603 C LEU B 36 -5.061 11.730 15.334 1.00 0.00 C ATOM 1604 O LEU B 36 -6.215 12.103 15.105 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.766 10.796 13.339 1.00 0.00 C ATOM 1606 CG LEU B 36 -5.043 10.241 12.678 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.751 11.265 11.794 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -4.690 9.051 11.782 1.00 0.00 C ATOM 0 H LEU B 36 -1.920 11.582 14.550 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.260 12.888 13.779 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.079 11.098 12.549 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.286 9.984 13.885 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.706 9.959 13.496 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.642 10.814 11.357 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.038 12.128 12.395 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.079 11.585 10.998 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.597 8.663 11.318 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.995 9.373 11.007 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.227 8.268 12.383 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.725 11.127 16.476 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.657 10.793 17.564 1.00 0.00 C ATOM 1622 C PHE B 37 -5.678 11.851 18.692 1.00 0.00 C ATOM 1623 O PHE B 37 -6.148 11.576 19.801 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.388 9.354 18.031 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.429 8.371 16.869 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -4.233 7.888 16.297 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -6.666 8.029 16.290 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -4.277 7.079 15.145 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -6.708 7.231 15.132 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.512 6.767 14.554 1.00 0.00 C ATOM 0 H PHE B 37 -3.766 10.847 16.679 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.679 10.826 17.187 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.413 9.304 18.516 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.130 9.068 18.777 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -3.282 8.139 16.743 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -7.585 8.380 16.736 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -3.361 6.699 14.716 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -7.658 6.975 14.687 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.544 6.170 13.655 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.191 13.064 18.405 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.182 14.238 19.290 1.00 0.00 C ATOM 1642 C ASP B 38 -4.391 14.051 20.604 1.00 0.00 C ATOM 1643 O ASP B 38 -4.664 14.711 21.612 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.619 14.770 19.477 1.00 0.00 C ATOM 1645 CG ASP B 38 -6.702 16.228 19.970 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -5.769 17.030 19.725 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -7.750 16.598 20.560 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.769 13.265 17.499 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.606 15.017 18.789 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.149 14.690 18.528 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -7.140 14.129 20.188 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.404 13.145 20.615 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.402 13.067 21.681 1.00 0.00 C ATOM 1654 C GLU B 39 -1.312 14.122 21.432 1.00 0.00 C ATOM 1655 O GLU B 39 -0.711 14.168 20.354 1.00 0.00 O ATOM 1656 CB GLU B 39 -1.774 11.666 21.764 1.00 0.00 C ATOM 1657 CG GLU B 39 -2.768 10.522 22.029 1.00 0.00 C ATOM 1658 CD GLU B 39 -3.543 10.639 23.360 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -4.679 10.107 23.447 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -3.020 11.215 24.349 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.280 12.446 19.883 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.896 13.263 22.633 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.251 11.463 20.830 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.025 11.667 22.556 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.485 10.484 21.209 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.225 9.577 22.022 1.00 0.00 H new ATOM 1667 N GLU B 40 -1.039 14.959 22.434 1.00 0.00 N ATOM 1668 CA GLU B 40 0.062 15.933 22.421 1.00 0.00 C ATOM 1669 C GLU B 40 1.228 15.466 23.307 1.00 0.00 C ATOM 1670 O GLU B 40 1.029 14.999 24.430 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.449 17.332 22.819 1.00 0.00 C ATOM 1672 CG GLU B 40 0.665 18.398 22.765 1.00 0.00 C ATOM 1673 CD GLU B 40 0.148 19.840 22.917 1.00 0.00 C ATOM 1674 OE1 GLU B 40 -0.944 20.071 23.494 1.00 0.00 O ATOM 1675 OE2 GLU B 40 0.861 20.775 22.479 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.585 14.982 23.295 1.00 0.00 H new ATOM 0 HA GLU B 40 0.450 16.004 21.405 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -1.261 17.623 22.152 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.863 17.292 23.827 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.388 18.195 23.555 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.195 18.309 21.817 1.00 0.00 H new ATOM 1682 N HIS B 41 2.448 15.654 22.805 1.00 0.00 N ATOM 1683 CA HIS B 41 3.714 15.351 23.481 1.00 0.00 C ATOM 1684 C HIS B 41 4.625 16.588 23.434 1.00 0.00 C ATOM 1685 O HIS B 41 4.599 17.331 22.450 1.00 0.00 O ATOM 1686 CB HIS B 41 4.392 14.144 22.814 1.00 0.00 C ATOM 1687 CG HIS B 41 3.475 12.968 22.554 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.132 11.974 23.480 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.803 12.734 21.389 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.270 11.163 22.839 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.049 11.599 21.587 1.00 0.00 N ATOM 0 H HIS B 41 2.590 16.040 21.872 1.00 0.00 H new ATOM 0 HA HIS B 41 3.522 15.097 24.523 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.826 14.465 21.867 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.216 13.812 23.446 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.853 13.325 20.486 1.00 0.00 H new ATOM 0 HE1 HIS B 41 1.818 10.283 23.271 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.430 11.165 20.902 1.00 0.00 H new ATOM 1699 N ALA B 42 5.441 16.805 24.468 1.00 0.00 N ATOM 1700 CA ALA B 42 6.367 17.940 24.548 1.00 0.00 C ATOM 1701 C ALA B 42 7.695 17.563 25.225 1.00 0.00 C ATOM 1702 O ALA B 42 7.717 16.815 26.208 1.00 0.00 O ATOM 1703 CB ALA B 42 5.668 19.112 25.246 1.00 0.00 C ATOM 0 H ALA B 42 5.479 16.192 25.282 1.00 0.00 H new ATOM 0 HA ALA B 42 6.636 18.246 23.537 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.352 19.959 25.308 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.785 19.400 24.676 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.370 18.812 26.251 1.00 0.00 H new ATOM 1709 N PHE B 43 8.800 18.095 24.693 1.00 0.00 N ATOM 1710 CA PHE B 43 10.173 17.722 25.047 1.00 0.00 C ATOM 1711 C PHE B 43 11.075 18.961 25.176 1.00 0.00 C ATOM 1712 O PHE B 43 11.369 19.606 24.163 1.00 0.00 O ATOM 1713 CB PHE B 43 10.715 16.754 23.985 1.00 0.00 C ATOM 1714 CG PHE B 43 9.888 15.488 23.832 1.00 0.00 C ATOM 1715 CD1 PHE B 43 10.093 14.400 24.704 1.00 0.00 C ATOM 1716 CD2 PHE B 43 8.880 15.418 22.850 1.00 0.00 C ATOM 1717 CE1 PHE B 43 9.283 13.252 24.595 1.00 0.00 C ATOM 1718 CE2 PHE B 43 8.074 14.271 22.745 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.269 13.193 23.624 1.00 0.00 C ATOM 0 H PHE B 43 8.762 18.823 23.979 1.00 0.00 H new ATOM 0 HA PHE B 43 10.170 17.230 26.020 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.756 17.268 23.025 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.738 16.480 24.244 1.00 0.00 H new ATOM 0 HD1 PHE B 43 10.869 14.446 25.454 1.00 0.00 H new ATOM 0 HD2 PHE B 43 8.726 16.248 22.176 1.00 0.00 H new ATOM 0 HE1 PHE B 43 9.442 12.416 25.259 1.00 0.00 H new ATOM 0 HE2 PHE B 43 7.305 14.219 21.989 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.639 12.318 23.554 1.00 0.00 H new ATOM 1729 N PRO B 44 11.516 19.331 26.396 1.00 0.00 N ATOM 1730 CA PRO B 44 12.360 20.500 26.614 1.00 0.00 C ATOM 1731 C PRO B 44 13.788 20.298 26.083 1.00 0.00 C ATOM 1732 O PRO B 44 14.350 19.200 26.128 1.00 0.00 O ATOM 1733 CB PRO B 44 12.329 20.751 28.126 1.00 0.00 C ATOM 1734 CG PRO B 44 12.127 19.353 28.706 1.00 0.00 C ATOM 1735 CD PRO B 44 11.233 18.675 27.667 1.00 0.00 C ATOM 0 HA PRO B 44 11.989 21.364 26.062 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.256 21.203 28.478 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.519 21.424 28.406 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.073 18.827 28.829 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.652 19.388 29.686 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.444 17.607 27.609 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.181 18.778 27.932 1.00 0.00 H new ATOM 1743 N GLY B 45 14.395 21.384 25.600 1.00 0.00 N ATOM 1744 CA GLY B 45 15.793 21.438 25.155 1.00 0.00 C ATOM 1745 C GLY B 45 16.062 20.848 23.767 1.00 0.00 C ATOM 1746 O GLY B 45 17.226 20.721 23.392 1.00 0.00 O ATOM 0 H GLY B 45 13.914 22.279 25.504 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.118 22.478 25.159 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.409 20.909 25.882 1.00 0.00 H new ATOM 1750 N LEU B 46 15.027 20.477 23.007 1.00 0.00 N ATOM 1751 CA LEU B 46 15.147 20.014 21.619 1.00 0.00 C ATOM 1752 C LEU B 46 14.960 21.141 20.588 1.00 0.00 C ATOM 1753 O LEU B 46 14.417 22.208 20.889 1.00 0.00 O ATOM 1754 CB LEU B 46 14.159 18.861 21.344 1.00 0.00 C ATOM 1755 CG LEU B 46 14.313 17.616 22.239 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.427 16.496 21.682 1.00 0.00 C ATOM 1757 CD2 LEU B 46 15.745 17.067 22.298 1.00 0.00 C ATOM 0 H LEU B 46 14.064 20.490 23.344 1.00 0.00 H new ATOM 0 HA LEU B 46 16.168 19.650 21.501 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.144 19.243 21.457 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.270 18.553 20.304 1.00 0.00 H new ATOM 0 HG LEU B 46 14.030 17.927 23.244 1.00 0.00 H new ATOM 0 HD11 LEU B 46 13.527 15.608 22.307 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.387 16.822 21.679 1.00 0.00 H new ATOM 0 HD13 LEU B 46 13.736 16.260 20.664 1.00 0.00 H new ATOM 0 HD21 LEU B 46 15.773 16.192 22.947 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.068 16.786 21.296 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.412 17.833 22.693 1.00 0.00 H new ATOM 1769 N ALA B 47 15.363 20.847 19.352 1.00 0.00 N ATOM 1770 CA ALA B 47 15.058 21.589 18.129 1.00 0.00 C ATOM 1771 C ALA B 47 14.792 20.621 16.961 1.00 0.00 C ATOM 1772 O ALA B 47 15.222 19.463 16.993 1.00 0.00 O ATOM 1773 CB ALA B 47 16.210 22.555 17.828 1.00 0.00 C ATOM 0 H ALA B 47 15.948 20.033 19.167 1.00 0.00 H new ATOM 0 HA ALA B 47 14.148 22.174 18.266 1.00 0.00 H new ATOM 0 HB1 ALA B 47 15.989 23.112 16.917 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.328 23.251 18.659 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.133 21.990 17.694 1.00 0.00 H new ATOM 1779 N ILE B 48 14.087 21.075 15.920 1.00 0.00 N ATOM 1780 CA ILE B 48 13.798 20.269 14.721 1.00 0.00 C ATOM 1781 C ILE B 48 15.045 20.226 13.819 1.00 0.00 C ATOM 1782 O ILE B 48 15.547 21.274 13.402 1.00 0.00 O ATOM 1783 CB ILE B 48 12.542 20.801 13.988 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.289 20.817 14.903 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.264 19.949 12.728 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.154 21.697 14.364 1.00 0.00 C ATOM 0 H ILE B 48 13.697 22.017 15.881 1.00 0.00 H new ATOM 0 HA ILE B 48 13.566 19.245 15.012 1.00 0.00 H new ATOM 0 HB ILE B 48 12.747 21.832 13.699 1.00 0.00 H new ATOM 0 HG12 ILE B 48 10.923 19.797 15.023 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.575 21.172 15.893 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.379 20.330 12.219 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.121 20.003 12.056 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.096 18.912 13.020 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.309 21.663 15.052 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.504 22.725 14.270 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.841 21.329 13.387 1.00 0.00 H new ATOM 1798 N GLY B 49 15.569 19.026 13.543 1.00 0.00 N ATOM 1799 CA GLY B 49 16.834 18.804 12.826 1.00 0.00 C ATOM 1800 C GLY B 49 16.673 18.510 11.331 1.00 0.00 C ATOM 1801 O GLY B 49 17.308 19.164 10.502 1.00 0.00 O ATOM 0 H GLY B 49 15.113 18.157 13.819 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.464 19.686 12.944 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.360 17.971 13.293 1.00 0.00 H new ATOM 1805 N ARG B 50 15.817 17.548 10.969 1.00 0.00 N ATOM 1806 CA ARG B 50 15.578 17.115 9.581 1.00 0.00 C ATOM 1807 C ARG B 50 14.126 16.699 9.353 1.00 0.00 C ATOM 1808 O ARG B 50 13.490 16.150 10.247 1.00 0.00 O ATOM 1809 CB ARG B 50 16.577 15.989 9.255 1.00 0.00 C ATOM 1810 CG ARG B 50 16.375 15.357 7.871 1.00 0.00 C ATOM 1811 CD ARG B 50 17.532 14.439 7.481 1.00 0.00 C ATOM 1812 NE ARG B 50 17.605 13.228 8.328 1.00 0.00 N ATOM 1813 CZ ARG B 50 18.561 12.315 8.317 1.00 0.00 C ATOM 1814 NH1 ARG B 50 19.578 12.384 7.506 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 18.525 11.304 9.133 1.00 0.00 N ATOM 0 H ARG B 50 15.255 17.034 11.648 1.00 0.00 H new ATOM 0 HA ARG B 50 15.742 17.949 8.898 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.590 16.387 9.317 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.493 15.211 10.014 1.00 0.00 H new ATOM 0 HG2 ARG B 50 15.445 14.789 7.865 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.272 16.145 7.125 1.00 0.00 H new ATOM 0 HD2 ARG B 50 17.421 14.143 6.438 1.00 0.00 H new ATOM 0 HD3 ARG B 50 18.470 14.989 7.558 1.00 0.00 H new ATOM 0 HE ARG B 50 16.840 13.083 8.987 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.656 13.162 6.851 1.00 0.00 H new ATOM 0 HH12 ARG B 50 20.297 11.660 7.526 1.00 0.00 H new ATOM 0 HH21 ARG B 50 17.753 11.208 9.792 1.00 0.00 H new ATOM 0 HH22 ARG B 50 19.269 10.607 9.114 1.00 0.00 H new ATOM 1829 N VAL B 51 13.632 16.919 8.134 1.00 0.00 N ATOM 1830 CA VAL B 51 12.278 16.588 7.663 1.00 0.00 C ATOM 1831 C VAL B 51 12.376 15.895 6.299 1.00 0.00 C ATOM 1832 O VAL B 51 13.112 16.367 5.432 1.00 0.00 O ATOM 1833 CB VAL B 51 11.405 17.852 7.550 1.00 0.00 C ATOM 1834 CG1 VAL B 51 9.957 17.527 7.159 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.376 18.667 8.845 1.00 0.00 C ATOM 0 H VAL B 51 14.194 17.357 7.405 1.00 0.00 H new ATOM 0 HA VAL B 51 11.809 15.921 8.386 1.00 0.00 H new ATOM 0 HB VAL B 51 11.873 18.444 6.763 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.382 18.451 7.092 1.00 0.00 H new ATOM 0 HG12 VAL B 51 9.946 17.022 6.193 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.513 16.877 7.913 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.746 19.546 8.708 1.00 0.00 H new ATOM 0 HG22 VAL B 51 10.973 18.054 9.652 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.388 18.982 9.099 1.00 0.00 H new ATOM 1845 N ASP B 52 11.630 14.809 6.088 1.00 0.00 N ATOM 1846 CA ASP B 52 11.617 14.022 4.847 1.00 0.00 C ATOM 1847 C ASP B 52 10.176 13.596 4.498 1.00 0.00 C ATOM 1848 O ASP B 52 9.565 12.787 5.202 1.00 0.00 O ATOM 1849 CB ASP B 52 12.587 12.832 5.001 1.00 0.00 C ATOM 1850 CG ASP B 52 12.795 12.005 3.722 1.00 0.00 C ATOM 1851 OD1 ASP B 52 13.887 11.411 3.556 1.00 0.00 O ATOM 1852 OD2 ASP B 52 11.866 11.911 2.888 1.00 0.00 O1- ATOM 0 H ASP B 52 10.997 14.439 6.797 1.00 0.00 H new ATOM 0 HA ASP B 52 11.964 14.622 4.006 1.00 0.00 H new ATOM 0 HB2 ASP B 52 13.554 13.209 5.335 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.213 12.175 5.786 1.00 0.00 H new ATOM 1857 N LEU B 53 9.627 14.165 3.412 1.00 0.00 N ATOM 1858 CA LEU B 53 8.240 13.964 2.982 1.00 0.00 C ATOM 1859 C LEU B 53 8.067 12.694 2.119 1.00 0.00 C ATOM 1860 O LEU B 53 6.964 12.147 2.039 1.00 0.00 O ATOM 1861 CB LEU B 53 7.729 15.210 2.224 1.00 0.00 C ATOM 1862 CG LEU B 53 7.700 16.562 2.971 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.062 16.476 4.360 1.00 0.00 C ATOM 1864 CD2 LEU B 53 9.051 17.271 3.095 1.00 0.00 C ATOM 0 H LEU B 53 10.149 14.790 2.798 1.00 0.00 H new ATOM 0 HA LEU B 53 7.641 13.819 3.881 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.347 15.335 1.335 1.00 0.00 H new ATOM 0 HB3 LEU B 53 6.716 14.998 1.881 1.00 0.00 H new ATOM 0 HG LEU B 53 7.073 17.168 2.317 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.075 17.460 4.828 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.032 16.132 4.267 1.00 0.00 H new ATOM 0 HD13 LEU B 53 7.624 15.774 4.976 1.00 0.00 H new ATOM 0 HD21 LEU B 53 8.921 18.209 3.635 1.00 0.00 H new ATOM 0 HD22 LEU B 53 9.748 16.633 3.638 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.447 17.476 2.100 1.00 0.00 H new ATOM 1876 N ARG B 54 9.150 12.186 1.519 1.00 0.00 N ATOM 1877 CA ARG B 54 9.202 10.889 0.813 1.00 0.00 C ATOM 1878 C ARG B 54 9.075 9.733 1.809 1.00 0.00 C ATOM 1879 O ARG B 54 8.250 8.835 1.619 1.00 0.00 O ATOM 1880 CB ARG B 54 10.518 10.837 0.011 1.00 0.00 C ATOM 1881 CG ARG B 54 11.054 9.438 -0.373 1.00 0.00 C ATOM 1882 CD ARG B 54 12.531 9.505 -0.782 1.00 0.00 C ATOM 1883 NE ARG B 54 13.384 9.863 0.373 1.00 0.00 N ATOM 1884 CZ ARG B 54 14.686 9.692 0.491 1.00 0.00 C ATOM 1885 NH1 ARG B 54 15.412 9.159 -0.451 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 15.288 10.056 1.582 1.00 0.00 N ATOM 0 H ARG B 54 10.044 12.677 1.508 1.00 0.00 H new ATOM 0 HA ARG B 54 8.366 10.788 0.121 1.00 0.00 H new ATOM 0 HB2 ARG B 54 10.378 11.409 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.288 11.347 0.590 1.00 0.00 H new ATOM 0 HG2 ARG B 54 10.938 8.757 0.470 1.00 0.00 H new ATOM 0 HG3 ARG B 54 10.464 9.032 -1.195 1.00 0.00 H new ATOM 0 HD2 ARG B 54 12.844 8.542 -1.186 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.659 10.241 -1.576 1.00 0.00 H new ATOM 0 HE ARG B 54 12.911 10.291 1.169 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.975 8.856 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.417 9.045 -0.318 1.00 0.00 H new ATOM 0 HH21 ARG B 54 14.754 10.473 2.344 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.295 9.925 1.677 1.00 0.00 H new ATOM 1900 N SER B 55 9.877 9.768 2.872 1.00 0.00 N ATOM 1901 CA SER B 55 9.890 8.731 3.920 1.00 0.00 C ATOM 1902 C SER B 55 8.792 8.919 4.977 1.00 0.00 C ATOM 1903 O SER B 55 8.402 7.953 5.633 1.00 0.00 O ATOM 1904 CB SER B 55 11.266 8.685 4.599 1.00 0.00 C ATOM 1905 OG SER B 55 12.276 8.367 3.647 1.00 0.00 O ATOM 0 H SER B 55 10.545 10.521 3.038 1.00 0.00 H new ATOM 0 HA SER B 55 9.685 7.784 3.421 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.483 9.648 5.062 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.261 7.942 5.396 1.00 0.00 H new ATOM 0 HG SER B 55 13.149 8.342 4.092 1.00 0.00 H new ATOM 1911 N GLY B 56 8.279 10.145 5.156 1.00 0.00 N ATOM 1912 CA GLY B 56 7.327 10.487 6.218 1.00 0.00 C ATOM 1913 C GLY B 56 7.982 10.502 7.606 1.00 0.00 C ATOM 1914 O GLY B 56 7.472 9.876 8.536 1.00 0.00 O ATOM 0 H GLY B 56 8.518 10.936 4.558 1.00 0.00 H new ATOM 0 HA2 GLY B 56 6.894 11.466 6.013 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.508 9.768 6.213 1.00 0.00 H new ATOM 1918 N VAL B 57 9.131 11.176 7.742 1.00 0.00 N ATOM 1919 CA VAL B 57 9.973 11.168 8.957 1.00 0.00 C ATOM 1920 C VAL B 57 10.417 12.584 9.338 1.00 0.00 C ATOM 1921 O VAL B 57 10.801 13.373 8.474 1.00 0.00 O ATOM 1922 CB VAL B 57 11.188 10.230 8.795 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.105 10.224 10.029 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.753 8.775 8.561 1.00 0.00 C ATOM 0 H VAL B 57 9.515 11.757 6.996 1.00 0.00 H new ATOM 0 HA VAL B 57 9.363 10.781 9.773 1.00 0.00 H new ATOM 0 HB VAL B 57 11.729 10.621 7.933 1.00 0.00 H new ATOM 0 HG11 VAL B 57 12.942 9.547 9.857 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.483 11.231 10.206 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.541 9.890 10.900 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.635 8.145 8.452 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.164 8.430 9.411 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.151 8.717 7.654 1.00 0.00 H new ATOM 1934 N ILE B 58 10.428 12.879 10.642 1.00 0.00 N ATOM 1935 CA ILE B 58 11.063 14.061 11.248 1.00 0.00 C ATOM 1936 C ILE B 58 12.046 13.613 12.331 1.00 0.00 C ATOM 1937 O ILE B 58 11.703 12.785 13.177 1.00 0.00 O ATOM 1938 CB ILE B 58 10.008 15.041 11.805 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.069 15.550 10.689 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.663 16.247 12.495 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.718 14.827 10.712 1.00 0.00 C ATOM 0 H ILE B 58 9.978 12.280 11.334 1.00 0.00 H new ATOM 0 HA ILE B 58 11.616 14.601 10.479 1.00 0.00 H new ATOM 0 HB ILE B 58 9.426 14.485 12.540 1.00 0.00 H new ATOM 0 HG12 ILE B 58 8.910 16.622 10.808 1.00 0.00 H new ATOM 0 HG13 ILE B 58 9.544 15.403 9.719 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.889 16.914 12.874 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.281 15.901 13.323 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.285 16.783 11.778 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.085 15.213 9.912 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.875 13.758 10.567 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.232 14.995 11.673 1.00 0.00 H new ATOM 1953 N SER B 59 13.254 14.179 12.335 1.00 0.00 N ATOM 1954 CA SER B 59 14.293 13.920 13.336 1.00 0.00 C ATOM 1955 C SER B 59 14.590 15.174 14.166 1.00 0.00 C ATOM 1956 O SER B 59 14.855 16.246 13.608 1.00 0.00 O ATOM 1957 CB SER B 59 15.560 13.397 12.657 1.00 0.00 C ATOM 1958 OG SER B 59 16.542 13.077 13.624 1.00 0.00 O ATOM 0 H SER B 59 13.546 14.849 11.623 1.00 0.00 H new ATOM 0 HA SER B 59 13.926 13.156 14.021 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.324 12.514 12.063 1.00 0.00 H new ATOM 0 HB3 SER B 59 15.949 14.149 11.970 1.00 0.00 H new ATOM 0 HG SER B 59 17.346 12.742 13.175 1.00 0.00 H new ATOM 1964 N LEU B 60 14.528 15.046 15.492 1.00 0.00 N ATOM 1965 CA LEU B 60 14.854 16.100 16.456 1.00 0.00 C ATOM 1966 C LEU B 60 16.286 15.957 16.997 1.00 0.00 C ATOM 1967 O LEU B 60 16.820 14.850 17.106 1.00 0.00 O ATOM 1968 CB LEU B 60 13.836 16.114 17.613 1.00 0.00 C ATOM 1969 CG LEU B 60 12.353 16.128 17.200 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.484 16.259 18.448 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.008 17.282 16.260 1.00 0.00 C ATOM 0 H LEU B 60 14.240 14.176 15.941 1.00 0.00 H new ATOM 0 HA LEU B 60 14.797 17.052 15.929 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.012 15.238 18.237 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.030 16.990 18.232 1.00 0.00 H new ATOM 0 HG LEU B 60 12.164 15.194 16.671 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.433 16.269 18.160 1.00 0.00 H new ATOM 0 HD12 LEU B 60 11.670 15.414 19.111 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.728 17.187 18.965 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.949 17.239 16.004 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.224 18.230 16.753 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.604 17.202 15.351 1.00 0.00 H new ATOM 1983 N ILE B 61 16.886 17.087 17.371 1.00 0.00 N ATOM 1984 CA ILE B 61 18.253 17.196 17.914 1.00 0.00 C ATOM 1985 C ILE B 61 18.256 18.030 19.198 1.00 0.00 C ATOM 1986 O ILE B 61 17.343 18.814 19.451 1.00 0.00 O ATOM 1987 CB ILE B 61 19.243 17.753 16.858 1.00 0.00 C ATOM 1988 CG1 ILE B 61 18.927 19.200 16.419 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.311 16.828 15.631 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.778 20.257 17.131 1.00 0.00 C ATOM 0 H ILE B 61 16.420 17.992 17.304 1.00 0.00 H new ATOM 0 HA ILE B 61 18.599 16.194 18.168 1.00 0.00 H new ATOM 0 HB ILE B 61 20.217 17.782 17.347 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.081 19.286 15.343 1.00 0.00 H new ATOM 0 HG13 ILE B 61 17.874 19.406 16.608 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.011 17.239 14.904 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.647 15.838 15.940 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.322 16.750 15.179 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.501 21.249 16.773 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.606 20.199 18.206 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.832 20.077 16.922 1.00 0.00 H new ATOM 2002 N GLU B 62 19.286 17.856 20.022 1.00 0.00 N ATOM 2003 CA GLU B 62 19.476 18.613 21.270 1.00 0.00 C ATOM 2004 C GLU B 62 20.012 20.028 20.978 1.00 0.00 C ATOM 2005 O GLU B 62 21.079 20.197 20.382 1.00 0.00 O ATOM 2006 CB GLU B 62 20.420 17.868 22.223 1.00 0.00 C ATOM 2007 CG GLU B 62 19.803 16.571 22.760 1.00 0.00 C ATOM 2008 CD GLU B 62 20.723 15.903 23.798 1.00 0.00 C ATOM 2009 OE1 GLU B 62 20.329 15.797 24.985 1.00 0.00 O ATOM 2010 OE2 GLU B 62 21.849 15.479 23.436 1.00 0.00 O1- ATOM 0 H GLU B 62 20.026 17.177 19.845 1.00 0.00 H new ATOM 0 HA GLU B 62 18.504 18.708 21.755 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.349 17.637 21.703 1.00 0.00 H new ATOM 0 HB3 GLU B 62 20.676 18.519 23.059 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.835 16.786 23.213 1.00 0.00 H new ATOM 0 HG3 GLU B 62 19.622 15.883 21.934 1.00 0.00 H new