USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 851 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 5 LYS NZ :NH3+ -123:sc= 0.054 (180deg=-0.0245) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -64:sc= 0.0832 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 -175:sc= 0 (180deg=-0.0397) USER MOD Single : B 5 LYS NZ :NH3+ -152:sc= 1.22 (180deg=1.02) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HD1:sc= -0.0203 X(o=-0.02,f=-0.02) 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 87 N ALA A 4 10.912 11.164 3.788 1.00 0.00 N ATOM 88 CA ALA A 4 9.703 11.349 4.583 1.00 0.00 C ATOM 89 C ALA A 4 8.644 12.242 3.893 1.00 0.00 C ATOM 90 O ALA A 4 8.844 12.762 2.784 1.00 0.00 O ATOM 91 CB ALA A 4 10.129 11.930 5.939 1.00 0.00 C ATOM 0 HA ALA A 4 9.212 10.384 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.248 12.082 6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.809 11.237 6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.633 12.884 5.784 1.00 0.00 H new ATOM 97 N LYS A 5 7.525 12.454 4.594 1.00 0.00 N ATOM 98 CA LYS A 5 6.452 13.415 4.265 1.00 0.00 C ATOM 99 C LYS A 5 6.005 14.178 5.515 1.00 0.00 C ATOM 100 O LYS A 5 5.966 13.603 6.605 1.00 0.00 O ATOM 101 CB LYS A 5 5.294 12.692 3.550 1.00 0.00 C ATOM 102 CG LYS A 5 4.681 11.521 4.347 1.00 0.00 C ATOM 103 CD LYS A 5 3.595 10.806 3.521 1.00 0.00 C ATOM 104 CE LYS A 5 3.013 9.586 4.252 1.00 0.00 C ATOM 105 NZ LYS A 5 4.001 8.483 4.386 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.328 11.937 5.451 1.00 0.00 H new ATOM 0 HA LYS A 5 6.834 14.164 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.509 13.417 3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.654 12.314 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.463 10.812 4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.251 11.894 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.792 11.508 3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.017 10.488 2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.672 9.887 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.139 9.224 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.617 7.619 3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.884 8.748 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.193 8.310 5.393 1.00 0.00 H new ATOM 119 N VAL A 6 5.667 15.461 5.371 1.00 0.00 N ATOM 120 CA VAL A 6 5.206 16.340 6.469 1.00 0.00 C ATOM 121 C VAL A 6 3.680 16.441 6.451 1.00 0.00 C ATOM 122 O VAL A 6 3.080 16.508 5.376 1.00 0.00 O ATOM 123 CB VAL A 6 5.834 17.748 6.398 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.564 18.573 7.669 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.352 17.712 6.187 1.00 0.00 C ATOM 0 H VAL A 6 5.704 15.937 4.470 1.00 0.00 H new ATOM 0 HA VAL A 6 5.533 15.889 7.406 1.00 0.00 H new ATOM 0 HB VAL A 6 5.356 18.216 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.026 19.555 7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.489 18.690 7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.986 18.059 8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.738 18.731 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.822 17.180 7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.577 17.200 5.251 1.00 0.00 H new ATOM 135 N VAL A 7 3.045 16.508 7.627 1.00 0.00 N ATOM 136 CA VAL A 7 1.625 16.862 7.821 1.00 0.00 C ATOM 137 C VAL A 7 1.461 17.878 8.959 1.00 0.00 C ATOM 138 O VAL A 7 2.209 17.861 9.940 1.00 0.00 O ATOM 139 CB VAL A 7 0.748 15.605 8.008 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.087 14.817 9.278 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.751 15.934 8.047 1.00 0.00 C ATOM 0 H VAL A 7 3.521 16.310 8.507 1.00 0.00 H new ATOM 0 HA VAL A 7 1.269 17.348 6.913 1.00 0.00 H new ATOM 0 HB VAL A 7 0.971 14.992 7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.435 13.946 9.351 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.126 14.490 9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.941 15.453 10.151 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.322 15.015 8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.954 16.611 8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.043 16.410 7.111 1.00 0.00 H new ATOM 151 N LEU A 8 0.488 18.782 8.819 1.00 0.00 N ATOM 152 CA LEU A 8 0.205 19.849 9.781 1.00 0.00 C ATOM 153 C LEU A 8 -1.267 20.290 9.781 1.00 0.00 C ATOM 154 O LEU A 8 -1.969 20.173 8.770 1.00 0.00 O ATOM 155 CB LEU A 8 1.128 21.051 9.515 1.00 0.00 C ATOM 156 CG LEU A 8 1.009 21.656 8.095 1.00 0.00 C ATOM 157 CD1 LEU A 8 0.937 23.181 8.156 1.00 0.00 C ATOM 158 CD2 LEU A 8 2.195 21.261 7.212 1.00 0.00 C ATOM 0 H LEU A 8 -0.139 18.792 8.015 1.00 0.00 H new ATOM 0 HA LEU A 8 0.402 19.443 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.909 21.829 10.246 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.160 20.742 9.678 1.00 0.00 H new ATOM 0 HG LEU A 8 0.092 21.258 7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.854 23.582 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.066 23.481 8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.840 23.569 8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.076 21.704 6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.120 21.621 7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.235 20.176 7.121 1.00 0.00 H new ATOM 266 N VAL A 16 -2.625 20.560 5.719 1.00 0.00 N ATOM 267 CA VAL A 16 -1.641 20.586 4.618 1.00 0.00 C ATOM 268 C VAL A 16 -0.699 19.385 4.732 1.00 0.00 C ATOM 269 O VAL A 16 -0.303 19.001 5.833 1.00 0.00 O ATOM 270 CB VAL A 16 -0.848 21.917 4.603 1.00 0.00 C ATOM 271 CG1 VAL A 16 0.165 22.001 3.453 1.00 0.00 C ATOM 272 CG2 VAL A 16 -1.764 23.146 4.498 1.00 0.00 C ATOM 0 HA VAL A 16 -2.179 20.520 3.672 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.319 21.922 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.688 22.956 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.886 21.188 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.358 21.918 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.158 24.052 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.343 23.090 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.441 23.169 5.352 1.00 0.00 H new ATOM 282 N GLU A 17 -0.316 18.811 3.588 1.00 0.00 N ATOM 283 CA GLU A 17 0.656 17.715 3.458 1.00 0.00 C ATOM 284 C GLU A 17 1.731 18.046 2.407 1.00 0.00 C ATOM 285 O GLU A 17 1.430 18.648 1.371 1.00 0.00 O ATOM 286 CB GLU A 17 -0.037 16.391 3.104 1.00 0.00 C ATOM 287 CG GLU A 17 -0.932 15.852 4.222 1.00 0.00 C ATOM 288 CD GLU A 17 -1.665 14.556 3.826 1.00 0.00 C ATOM 289 OE1 GLU A 17 -1.097 13.706 3.095 1.00 0.00 O ATOM 290 OE2 GLU A 17 -2.835 14.371 4.251 1.00 0.00 O1- ATOM 0 H GLU A 17 -0.689 19.108 2.687 1.00 0.00 H new ATOM 0 HA GLU A 17 1.142 17.600 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.638 16.533 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.722 15.646 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.326 15.665 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.666 16.611 4.492 1.00 0.00 H new ATOM 297 N ILE A 18 2.985 17.641 2.655 1.00 0.00 N ATOM 298 CA ILE A 18 4.151 17.893 1.791 1.00 0.00 C ATOM 299 C ILE A 18 4.938 16.591 1.614 1.00 0.00 C ATOM 300 O ILE A 18 5.537 16.096 2.573 1.00 0.00 O ATOM 301 CB ILE A 18 5.044 19.021 2.375 1.00 0.00 C ATOM 302 CG1 ILE A 18 4.295 20.368 2.500 1.00 0.00 C ATOM 303 CG2 ILE A 18 6.314 19.218 1.523 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.933 21.293 3.538 1.00 0.00 C ATOM 0 H ILE A 18 3.225 17.110 3.492 1.00 0.00 H new ATOM 0 HA ILE A 18 3.808 18.233 0.814 1.00 0.00 H new ATOM 0 HB ILE A 18 5.323 18.699 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.284 20.866 1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.257 20.180 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.922 20.014 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.888 18.292 1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.031 19.488 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.371 22.226 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.920 20.808 4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.963 21.505 3.252 1.00 0.00 H new ATOM 316 N GLY A 19 4.959 16.036 0.397 1.00 0.00 N ATOM 317 CA GLY A 19 5.749 14.849 0.040 1.00 0.00 C ATOM 318 C GLY A 19 7.182 15.162 -0.418 1.00 0.00 C ATOM 319 O GLY A 19 7.490 16.293 -0.805 1.00 0.00 O ATOM 0 H GLY A 19 4.417 16.406 -0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.792 14.182 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.235 14.310 -0.755 1.00 0.00 H new ATOM 323 N ASP A 20 8.044 14.141 -0.400 1.00 0.00 N ATOM 324 CA ASP A 20 9.439 14.171 -0.890 1.00 0.00 C ATOM 325 C ASP A 20 10.281 15.327 -0.300 1.00 0.00 C ATOM 326 O ASP A 20 11.011 16.037 -1.003 1.00 0.00 O ATOM 327 CB ASP A 20 9.484 14.074 -2.424 1.00 0.00 C ATOM 328 CG ASP A 20 8.747 12.860 -3.017 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.550 11.833 -2.321 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.397 12.912 -4.219 1.00 0.00 O1- ATOM 0 H ASP A 20 7.784 13.227 -0.028 1.00 0.00 H new ATOM 0 HA ASP A 20 9.936 13.279 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.054 14.983 -2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.526 14.039 -2.741 1.00 0.00 H new ATOM 335 N VAL A 21 10.143 15.549 1.015 1.00 0.00 N ATOM 336 CA VAL A 21 10.874 16.592 1.756 1.00 0.00 C ATOM 337 C VAL A 21 12.346 16.203 1.952 1.00 0.00 C ATOM 338 O VAL A 21 12.653 15.063 2.303 1.00 0.00 O ATOM 339 CB VAL A 21 10.144 16.939 3.069 1.00 0.00 C ATOM 340 CG1 VAL A 21 9.933 15.759 4.023 1.00 0.00 C ATOM 341 CG2 VAL A 21 10.852 18.050 3.842 1.00 0.00 C ATOM 0 H VAL A 21 9.513 15.003 1.603 1.00 0.00 H new ATOM 0 HA VAL A 21 10.887 17.507 1.164 1.00 0.00 H new ATOM 0 HB VAL A 21 9.162 17.268 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.412 16.102 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.337 14.993 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.900 15.341 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.303 18.262 4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.865 17.732 4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.894 18.950 3.229 1.00 0.00 H new ATOM 351 N LEU A 22 13.271 17.146 1.738 1.00 0.00 N ATOM 352 CA LEU A 22 14.708 16.967 1.979 1.00 0.00 C ATOM 353 C LEU A 22 15.131 17.463 3.368 1.00 0.00 C ATOM 354 O LEU A 22 16.022 16.881 3.991 1.00 0.00 O ATOM 355 CB LEU A 22 15.517 17.699 0.893 1.00 0.00 C ATOM 356 CG LEU A 22 15.348 17.159 -0.539 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.188 18.009 -1.490 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.786 15.701 -0.670 1.00 0.00 C ATOM 0 H LEU A 22 13.037 18.074 1.385 1.00 0.00 H new ATOM 0 HA LEU A 22 14.914 15.898 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.233 18.751 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.573 17.651 1.158 1.00 0.00 H new ATOM 0 HG LEU A 22 14.288 17.212 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.076 17.635 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.852 19.045 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.236 17.954 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.646 15.370 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.838 15.612 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.187 15.080 -0.005 1.00 0.00 H new ATOM 370 N GLU A 23 14.510 18.538 3.862 1.00 0.00 N ATOM 371 CA GLU A 23 14.867 19.181 5.131 1.00 0.00 C ATOM 372 C GLU A 23 13.689 19.953 5.747 1.00 0.00 C ATOM 373 O GLU A 23 12.913 20.596 5.029 1.00 0.00 O ATOM 374 CB GLU A 23 16.087 20.088 4.895 1.00 0.00 C ATOM 375 CG GLU A 23 16.599 20.797 6.159 1.00 0.00 C ATOM 376 CD GLU A 23 17.972 21.478 5.959 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.392 22.238 6.867 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.633 21.318 4.903 1.00 0.00 O1- ATOM 0 H GLU A 23 13.733 18.994 3.384 1.00 0.00 H new ATOM 0 HA GLU A 23 15.122 18.411 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.895 19.489 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.828 20.840 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.870 21.546 6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.674 20.072 6.969 1.00 0.00 H new ATOM 385 N VAL A 24 13.586 19.926 7.083 1.00 0.00 N ATOM 386 CA VAL A 24 12.605 20.681 7.891 1.00 0.00 C ATOM 387 C VAL A 24 13.316 21.348 9.080 1.00 0.00 C ATOM 388 O VAL A 24 14.174 20.727 9.710 1.00 0.00 O ATOM 389 CB VAL A 24 11.464 19.779 8.411 1.00 0.00 C ATOM 390 CG1 VAL A 24 10.303 20.606 8.984 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.902 18.810 7.369 1.00 0.00 C ATOM 0 H VAL A 24 14.207 19.356 7.658 1.00 0.00 H new ATOM 0 HA VAL A 24 12.161 21.439 7.245 1.00 0.00 H new ATOM 0 HB VAL A 24 11.932 19.184 9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.520 19.936 9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.664 21.214 9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.900 21.255 8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.106 18.215 7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.503 19.374 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.696 18.150 7.021 1.00 0.00 H new ATOM 401 N ARG A 25 12.941 22.582 9.433 1.00 0.00 N ATOM 402 CA ARG A 25 13.443 23.335 10.601 1.00 0.00 C ATOM 403 C ARG A 25 12.299 23.987 11.375 1.00 0.00 C ATOM 404 O ARG A 25 11.321 24.437 10.775 1.00 0.00 O ATOM 405 CB ARG A 25 14.458 24.410 10.169 1.00 0.00 C ATOM 406 CG ARG A 25 15.702 23.848 9.472 1.00 0.00 C ATOM 407 CD ARG A 25 16.730 24.966 9.247 1.00 0.00 C ATOM 408 NE ARG A 25 17.876 24.480 8.465 1.00 0.00 N ATOM 409 CZ ARG A 25 18.980 25.127 8.165 1.00 0.00 C ATOM 410 NH1 ARG A 25 19.228 26.340 8.574 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 19.860 24.538 7.414 1.00 0.00 N ATOM 0 H ARG A 25 12.253 23.109 8.896 1.00 0.00 H new ATOM 0 HA ARG A 25 13.942 22.621 11.256 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.964 25.113 9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.770 24.974 11.048 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.141 23.056 10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.423 23.402 8.517 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.258 25.799 8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.076 25.345 10.208 1.00 0.00 H new ATOM 0 HE ARG A 25 17.806 23.525 8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.549 26.831 9.155 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.101 26.798 8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.687 23.593 7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.725 25.020 7.168 1.00 0.00 H new ATOM 425 N ALA A 26 12.436 24.085 12.694 1.00 0.00 N ATOM 426 CA ALA A 26 11.492 24.738 13.598 1.00 0.00 C ATOM 427 C ALA A 26 12.167 25.877 14.382 1.00 0.00 C ATOM 428 O ALA A 26 13.225 25.693 14.988 1.00 0.00 O ATOM 429 CB ALA A 26 10.892 23.690 14.535 1.00 0.00 C ATOM 0 H ALA A 26 13.242 23.695 13.184 1.00 0.00 H new ATOM 0 HA ALA A 26 10.691 25.192 13.015 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.186 24.170 15.213 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.373 22.932 13.948 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.688 23.220 15.113 1.00 0.00 H new ATOM 464 N ALA A 30 8.012 30.269 13.486 1.00 0.00 N ATOM 465 CA ALA A 30 7.505 29.447 12.377 1.00 0.00 C ATOM 466 C ALA A 30 8.311 28.150 12.140 1.00 0.00 C ATOM 467 O ALA A 30 9.517 28.074 12.398 1.00 0.00 O ATOM 468 CB ALA A 30 7.533 30.292 11.089 1.00 0.00 C ATOM 0 HA ALA A 30 6.494 29.141 12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.160 29.697 10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.903 31.172 11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.556 30.605 10.882 1.00 0.00 H new ATOM 474 N VAL A 31 7.656 27.147 11.546 1.00 0.00 N ATOM 475 CA VAL A 31 8.315 26.006 10.869 1.00 0.00 C ATOM 476 C VAL A 31 8.598 26.350 9.401 1.00 0.00 C ATOM 477 O VAL A 31 7.827 27.078 8.769 1.00 0.00 O ATOM 478 CB VAL A 31 7.490 24.711 11.016 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.965 23.550 10.134 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.565 24.227 12.465 1.00 0.00 C ATOM 0 H VAL A 31 6.638 27.097 11.517 1.00 0.00 H new ATOM 0 HA VAL A 31 9.272 25.820 11.356 1.00 0.00 H new ATOM 0 HB VAL A 31 6.480 24.975 10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.328 22.681 10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.910 23.843 9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.995 23.299 10.387 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.983 23.312 12.573 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.604 24.030 12.729 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.161 24.994 13.126 1.00 0.00 H new ATOM 490 N ARG A 32 9.690 25.802 8.855 1.00 0.00 N ATOM 491 CA ARG A 32 10.138 25.946 7.457 1.00 0.00 C ATOM 492 C ARG A 32 10.563 24.587 6.884 1.00 0.00 C ATOM 493 O ARG A 32 11.141 23.773 7.603 1.00 0.00 O ATOM 494 CB ARG A 32 11.298 26.957 7.391 1.00 0.00 C ATOM 495 CG ARG A 32 10.860 28.396 7.704 1.00 0.00 C ATOM 496 CD ARG A 32 12.064 29.336 7.755 1.00 0.00 C ATOM 497 NE ARG A 32 11.649 30.746 7.894 1.00 0.00 N ATOM 498 CZ ARG A 32 12.416 31.819 7.778 1.00 0.00 C ATOM 499 NH1 ARG A 32 13.694 31.736 7.535 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 11.910 33.012 7.907 1.00 0.00 N ATOM 0 H ARG A 32 10.320 25.215 9.401 1.00 0.00 H new ATOM 0 HA ARG A 32 9.311 26.318 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.074 26.658 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.743 26.927 6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.158 28.740 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.334 28.420 8.659 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.705 29.061 8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.656 29.219 6.848 1.00 0.00 H new ATOM 0 HE ARG A 32 10.664 30.912 8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.134 30.822 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.254 32.585 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.915 33.126 8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.509 33.833 7.816 1.00 0.00 H new ATOM 514 N VAL A 33 10.280 24.326 5.606 1.00 0.00 N ATOM 515 CA VAL A 33 10.515 23.015 4.954 1.00 0.00 C ATOM 516 C VAL A 33 10.849 23.161 3.462 1.00 0.00 C ATOM 517 O VAL A 33 10.313 24.051 2.794 1.00 0.00 O ATOM 518 CB VAL A 33 9.378 21.990 5.259 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.152 22.537 6.010 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.853 21.203 4.051 1.00 0.00 C ATOM 0 H VAL A 33 9.876 25.021 4.978 1.00 0.00 H new ATOM 0 HA VAL A 33 11.410 22.584 5.404 1.00 0.00 H new ATOM 0 HB VAL A 33 9.928 21.321 5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.431 21.734 6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.464 22.934 6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.690 23.331 5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.067 20.521 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.450 21.896 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.668 20.632 3.606 1.00 0.00 H new ATOM 530 N THR A 34 11.718 22.285 2.936 1.00 0.00 N ATOM 531 CA THR A 34 12.191 22.312 1.531 1.00 0.00 C ATOM 532 C THR A 34 12.159 20.927 0.873 1.00 0.00 C ATOM 533 O THR A 34 12.633 19.942 1.447 1.00 0.00 O ATOM 534 CB THR A 34 13.615 22.898 1.426 1.00 0.00 C ATOM 535 OG1 THR A 34 13.681 24.175 2.032 1.00 0.00 O ATOM 536 CG2 THR A 34 14.078 23.081 -0.019 1.00 0.00 C ATOM 0 H THR A 34 12.123 21.522 3.479 1.00 0.00 H new ATOM 0 HA THR A 34 11.496 22.958 0.994 1.00 0.00 H new ATOM 0 HB THR A 34 14.258 22.177 1.930 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.592 24.527 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.086 23.496 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.078 22.116 -0.526 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.401 23.762 -0.535 1.00 0.00 H new ATOM 544 N THR A 35 11.615 20.841 -0.343 1.00 0.00 N ATOM 545 CA THR A 35 11.471 19.600 -1.136 1.00 0.00 C ATOM 546 C THR A 35 12.509 19.470 -2.257 1.00 0.00 C ATOM 547 O THR A 35 13.162 20.444 -2.636 1.00 0.00 O ATOM 548 CB THR A 35 10.064 19.497 -1.756 1.00 0.00 C ATOM 549 OG1 THR A 35 9.878 20.506 -2.722 1.00 0.00 O ATOM 550 CG2 THR A 35 8.933 19.594 -0.733 1.00 0.00 C ATOM 0 H THR A 35 11.246 21.659 -0.828 1.00 0.00 H new ATOM 0 HA THR A 35 11.635 18.787 -0.429 1.00 0.00 H new ATOM 0 HB THR A 35 10.016 18.506 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.911 21.384 -2.288 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.973 19.513 -1.243 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.028 18.785 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.990 20.552 -0.217 1.00 0.00 H new ATOM 558 N LEU A 36 12.626 18.269 -2.853 1.00 0.00 N ATOM 559 CA LEU A 36 13.442 18.052 -4.065 1.00 0.00 C ATOM 560 C LEU A 36 12.889 18.727 -5.341 1.00 0.00 C ATOM 561 O LEU A 36 13.587 18.792 -6.355 1.00 0.00 O ATOM 562 CB LEU A 36 13.767 16.559 -4.282 1.00 0.00 C ATOM 563 CG LEU A 36 12.614 15.536 -4.291 1.00 0.00 C ATOM 564 CD1 LEU A 36 11.428 15.897 -5.185 1.00 0.00 C ATOM 565 CD2 LEU A 36 13.165 14.201 -4.793 1.00 0.00 C ATOM 0 H LEU A 36 12.162 17.427 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 36 14.382 18.568 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.292 16.472 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 36 14.467 16.258 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 36 12.239 15.506 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.672 15.114 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.999 16.843 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.766 15.991 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.366 13.460 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.562 14.327 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.961 13.863 -4.129 1.00 0.00 H new ATOM 577 N PHE A 37 11.668 19.273 -5.294 1.00 0.00 N ATOM 578 CA PHE A 37 11.089 20.102 -6.363 1.00 0.00 C ATOM 579 C PHE A 37 11.635 21.551 -6.354 1.00 0.00 C ATOM 580 O PHE A 37 11.166 22.381 -7.131 1.00 0.00 O ATOM 581 CB PHE A 37 9.554 20.086 -6.246 1.00 0.00 C ATOM 582 CG PHE A 37 8.929 18.702 -6.144 1.00 0.00 C ATOM 583 CD1 PHE A 37 9.004 17.808 -7.229 1.00 0.00 C ATOM 584 CD2 PHE A 37 8.294 18.297 -4.954 1.00 0.00 C ATOM 585 CE1 PHE A 37 8.445 16.520 -7.126 1.00 0.00 C ATOM 586 CE2 PHE A 37 7.747 17.006 -4.848 1.00 0.00 C ATOM 587 CZ PHE A 37 7.818 16.117 -5.935 1.00 0.00 C ATOM 0 H PHE A 37 11.042 19.150 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 37 11.386 19.673 -7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.266 20.663 -5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.134 20.595 -7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.492 18.111 -8.143 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.227 18.980 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.498 15.841 -7.964 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.271 16.696 -3.929 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.392 15.128 -5.855 1.00 0.00 H new ATOM 597 N ASP A 38 12.563 21.861 -5.437 1.00 0.00 N ATOM 598 CA ASP A 38 13.033 23.191 -5.007 1.00 0.00 C ATOM 599 C ASP A 38 11.921 24.131 -4.482 1.00 0.00 C ATOM 600 O ASP A 38 12.161 25.311 -4.214 1.00 0.00 O ATOM 601 CB ASP A 38 14.023 23.818 -6.013 1.00 0.00 C ATOM 602 CG ASP A 38 13.432 24.309 -7.345 1.00 0.00 C ATOM 603 OD1 ASP A 38 12.558 25.208 -7.350 1.00 0.00 O ATOM 604 OD2 ASP A 38 13.914 23.858 -8.416 1.00 0.00 O1- ATOM 0 H ASP A 38 13.049 21.122 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 38 13.624 23.025 -4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.515 24.661 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.796 23.082 -6.234 1.00 0.00 H new ATOM 609 N GLU A 39 10.715 23.604 -4.254 1.00 0.00 N ATOM 610 CA GLU A 39 9.618 24.310 -3.598 1.00 0.00 C ATOM 611 C GLU A 39 9.859 24.427 -2.084 1.00 0.00 C ATOM 612 O GLU A 39 10.134 23.433 -1.403 1.00 0.00 O ATOM 613 CB GLU A 39 8.284 23.616 -3.912 1.00 0.00 C ATOM 614 CG GLU A 39 7.081 24.410 -3.387 1.00 0.00 C ATOM 615 CD GLU A 39 5.739 23.786 -3.819 1.00 0.00 C ATOM 616 OE1 GLU A 39 4.879 24.508 -4.385 1.00 0.00 O ATOM 617 OE2 GLU A 39 5.522 22.574 -3.576 1.00 0.00 O1- ATOM 0 H GLU A 39 10.471 22.652 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 39 9.571 25.326 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.189 23.486 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.281 22.620 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.125 24.456 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.137 25.436 -3.752 1.00 0.00 H new ATOM 624 N GLU A 40 9.739 25.648 -1.563 1.00 0.00 N ATOM 625 CA GLU A 40 9.832 25.971 -0.132 1.00 0.00 C ATOM 626 C GLU A 40 8.441 26.200 0.484 1.00 0.00 C ATOM 627 O GLU A 40 7.530 26.726 -0.165 1.00 0.00 O ATOM 628 CB GLU A 40 10.705 27.217 0.077 1.00 0.00 C ATOM 629 CG GLU A 40 12.173 26.986 -0.308 1.00 0.00 C ATOM 630 CD GLU A 40 13.023 28.271 -0.205 1.00 0.00 C ATOM 631 OE1 GLU A 40 12.558 29.371 -0.598 1.00 0.00 O ATOM 632 OE2 GLU A 40 14.188 28.193 0.259 1.00 0.00 O1- ATOM 0 H GLU A 40 9.568 26.470 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 40 10.291 25.119 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.304 28.040 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.652 27.521 1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.599 26.220 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.222 26.603 -1.327 1.00 0.00 H new ATOM 639 N HIS A 41 8.307 25.856 1.766 1.00 0.00 N ATOM 640 CA HIS A 41 7.091 25.989 2.573 1.00 0.00 C ATOM 641 C HIS A 41 7.422 26.601 3.940 1.00 0.00 C ATOM 642 O HIS A 41 8.485 26.331 4.504 1.00 0.00 O ATOM 643 CB HIS A 41 6.438 24.608 2.741 1.00 0.00 C ATOM 644 CG HIS A 41 6.037 23.929 1.444 1.00 0.00 C ATOM 645 ND1 HIS A 41 4.839 24.137 0.755 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.787 23.007 0.766 1.00 0.00 C ATOM 647 CE1 HIS A 41 4.895 23.331 -0.318 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.048 22.645 -0.337 1.00 0.00 N ATOM 0 H HIS A 41 9.081 25.457 2.297 1.00 0.00 H new ATOM 0 HA HIS A 41 6.392 26.654 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.130 23.958 3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.552 24.715 3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.764 22.637 1.041 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.118 23.247 -1.064 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.329 21.970 -1.048 1.00 0.00 H new ATOM 656 N ALA A 42 6.517 27.418 4.484 1.00 0.00 N ATOM 657 CA ALA A 42 6.667 28.057 5.796 1.00 0.00 C ATOM 658 C ALA A 42 5.311 28.264 6.498 1.00 0.00 C ATOM 659 O ALA A 42 4.322 28.627 5.852 1.00 0.00 O ATOM 660 CB ALA A 42 7.421 29.386 5.637 1.00 0.00 C ATOM 0 H ALA A 42 5.643 27.659 4.017 1.00 0.00 H new ATOM 0 HA ALA A 42 7.247 27.392 6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.532 29.860 6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.406 29.197 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.860 30.045 4.975 1.00 0.00 H new ATOM 666 N PHE A 43 5.280 28.048 7.817 1.00 0.00 N ATOM 667 CA PHE A 43 4.053 28.005 8.627 1.00 0.00 C ATOM 668 C PHE A 43 4.254 28.652 10.015 1.00 0.00 C ATOM 669 O PHE A 43 4.836 28.026 10.910 1.00 0.00 O ATOM 670 CB PHE A 43 3.597 26.543 8.768 1.00 0.00 C ATOM 671 CG PHE A 43 3.385 25.808 7.461 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.312 24.829 7.049 1.00 0.00 C ATOM 673 CD2 PHE A 43 2.275 26.111 6.649 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.127 24.157 5.832 1.00 0.00 C ATOM 675 CE2 PHE A 43 2.099 25.439 5.424 1.00 0.00 C ATOM 676 CZ PHE A 43 3.021 24.461 5.019 1.00 0.00 C ATOM 0 H PHE A 43 6.126 27.894 8.366 1.00 0.00 H new ATOM 0 HA PHE A 43 3.282 28.585 8.120 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.339 26.002 9.355 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.666 26.522 9.334 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.164 24.597 7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.561 26.857 6.965 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.836 23.405 5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.254 25.676 4.795 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.881 23.942 4.082 1.00 0.00 H new ATOM 686 N PRO A 44 3.793 29.899 10.225 1.00 0.00 N ATOM 687 CA PRO A 44 3.868 30.577 11.518 1.00 0.00 C ATOM 688 C PRO A 44 3.096 29.867 12.645 1.00 0.00 C ATOM 689 O PRO A 44 2.047 29.256 12.426 1.00 0.00 O ATOM 690 CB PRO A 44 3.350 31.999 11.280 1.00 0.00 C ATOM 691 CG PRO A 44 3.620 32.221 9.794 1.00 0.00 C ATOM 692 CD PRO A 44 3.351 30.839 9.204 1.00 0.00 C ATOM 0 HA PRO A 44 4.898 30.573 11.874 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.289 32.086 11.514 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.874 32.728 11.898 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.962 32.979 9.370 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.643 32.549 9.611 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.293 30.706 8.977 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.898 30.695 8.272 1.00 0.00 H new ATOM 700 N GLY A 45 3.603 29.987 13.874 1.00 0.00 N ATOM 701 CA GLY A 45 2.980 29.472 15.109 1.00 0.00 C ATOM 702 C GLY A 45 3.120 27.958 15.345 1.00 0.00 C ATOM 703 O GLY A 45 2.564 27.442 16.319 1.00 0.00 O ATOM 0 H GLY A 45 4.489 30.461 14.050 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.416 29.996 15.960 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.919 29.722 15.091 1.00 0.00 H new ATOM 707 N LEU A 46 3.846 27.239 14.482 1.00 0.00 N ATOM 708 CA LEU A 46 4.112 25.798 14.612 1.00 0.00 C ATOM 709 C LEU A 46 5.507 25.483 15.173 1.00 0.00 C ATOM 710 O LEU A 46 6.417 26.318 15.147 1.00 0.00 O ATOM 711 CB LEU A 46 3.888 25.089 13.259 1.00 0.00 C ATOM 712 CG LEU A 46 2.461 25.186 12.689 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.369 24.369 11.403 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.391 24.612 13.621 1.00 0.00 C ATOM 0 H LEU A 46 4.276 27.650 13.654 1.00 0.00 H new ATOM 0 HA LEU A 46 3.402 25.413 15.344 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.581 25.508 12.530 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.144 24.036 13.374 1.00 0.00 H new ATOM 0 HG LEU A 46 2.278 26.250 12.540 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.359 24.438 11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.078 24.759 10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.604 23.326 11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.411 24.714 13.156 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.597 23.558 13.806 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.402 25.155 14.566 1.00 0.00 H new ATOM 726 N ALA A 47 5.666 24.241 15.623 1.00 0.00 N ATOM 727 CA ALA A 47 6.916 23.542 15.906 1.00 0.00 C ATOM 728 C ALA A 47 6.788 22.063 15.477 1.00 0.00 C ATOM 729 O ALA A 47 5.674 21.549 15.329 1.00 0.00 O ATOM 730 CB ALA A 47 7.257 23.696 17.394 1.00 0.00 C ATOM 0 H ALA A 47 4.857 23.649 15.815 1.00 0.00 H new ATOM 0 HA ALA A 47 7.737 23.975 15.335 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.190 23.175 17.609 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.368 24.753 17.634 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.456 23.269 17.997 1.00 0.00 H new ATOM 736 N ILE A 48 7.903 21.345 15.266 1.00 0.00 N ATOM 737 CA ILE A 48 7.860 19.903 14.952 1.00 0.00 C ATOM 738 C ILE A 48 7.450 19.128 16.220 1.00 0.00 C ATOM 739 O ILE A 48 8.079 19.256 17.272 1.00 0.00 O ATOM 740 CB ILE A 48 9.199 19.403 14.362 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.596 20.128 13.053 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.124 17.891 14.083 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.117 20.190 12.855 1.00 0.00 C ATOM 0 H ILE A 48 8.844 21.736 15.306 1.00 0.00 H new ATOM 0 HA ILE A 48 7.114 19.724 14.177 1.00 0.00 H new ATOM 0 HB ILE A 48 9.961 19.624 15.109 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.143 19.615 12.205 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.193 21.141 13.065 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.072 17.550 13.668 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.923 17.359 15.013 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.324 17.692 13.371 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.342 20.708 11.923 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.571 20.728 13.688 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.520 19.178 12.814 1.00 0.00 H new ATOM 755 N GLY A 49 6.370 18.345 16.124 1.00 0.00 N ATOM 756 CA GLY A 49 5.760 17.622 17.240 1.00 0.00 C ATOM 757 C GLY A 49 6.147 16.145 17.316 1.00 0.00 C ATOM 758 O GLY A 49 6.260 15.608 18.417 1.00 0.00 O ATOM 0 H GLY A 49 5.883 18.194 15.240 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.045 18.109 18.173 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.676 17.698 17.158 1.00 0.00 H new ATOM 762 N ARG A 50 6.347 15.481 16.177 1.00 0.00 N ATOM 763 CA ARG A 50 6.583 14.027 16.101 1.00 0.00 C ATOM 764 C ARG A 50 7.292 13.643 14.805 1.00 0.00 C ATOM 765 O ARG A 50 7.016 14.238 13.762 1.00 0.00 O ATOM 766 CB ARG A 50 5.214 13.331 16.233 1.00 0.00 C ATOM 767 CG ARG A 50 5.195 11.801 16.095 1.00 0.00 C ATOM 768 CD ARG A 50 3.748 11.323 16.247 1.00 0.00 C ATOM 769 NE ARG A 50 3.664 9.856 16.297 1.00 0.00 N ATOM 770 CZ ARG A 50 2.883 9.040 15.612 1.00 0.00 C ATOM 771 NH1 ARG A 50 2.054 9.437 14.691 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 2.942 7.774 15.880 1.00 0.00 N ATOM 0 H ARG A 50 6.351 15.938 15.265 1.00 0.00 H new ATOM 0 HA ARG A 50 7.244 13.707 16.907 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.795 13.589 17.206 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.547 13.748 15.478 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.594 11.502 15.126 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.828 11.343 16.855 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.319 11.744 17.157 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.152 11.694 15.413 1.00 0.00 H new ATOM 0 HE ARG A 50 4.299 9.404 16.954 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.981 10.429 14.463 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.477 8.757 14.197 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.578 7.435 16.601 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.352 7.117 15.370 1.00 0.00 H new ATOM 786 N VAL A 51 8.125 12.603 14.857 1.00 0.00 N ATOM 787 CA VAL A 51 8.561 11.857 13.666 1.00 0.00 C ATOM 788 C VAL A 51 8.382 10.355 13.919 1.00 0.00 C ATOM 789 O VAL A 51 8.869 9.824 14.916 1.00 0.00 O ATOM 790 CB VAL A 51 10.011 12.186 13.248 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.306 11.614 11.854 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.306 13.693 13.225 1.00 0.00 C ATOM 0 H VAL A 51 8.520 12.249 15.728 1.00 0.00 H new ATOM 0 HA VAL A 51 7.935 12.166 12.829 1.00 0.00 H new ATOM 0 HB VAL A 51 10.652 11.729 14.002 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.331 11.853 11.572 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.177 10.532 11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.619 12.050 11.129 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.341 13.857 12.924 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.640 14.183 12.515 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.147 14.110 14.220 1.00 0.00 H new ATOM 802 N ASP A 52 7.682 9.664 13.018 1.00 0.00 N ATOM 803 CA ASP A 52 7.497 8.210 13.036 1.00 0.00 C ATOM 804 C ASP A 52 8.132 7.599 11.778 1.00 0.00 C ATOM 805 O ASP A 52 7.690 7.833 10.653 1.00 0.00 O ATOM 806 CB ASP A 52 6.003 7.879 13.175 1.00 0.00 C ATOM 807 CG ASP A 52 5.717 6.380 13.343 1.00 0.00 C ATOM 808 OD1 ASP A 52 4.622 6.027 13.837 1.00 0.00 O ATOM 809 OD2 ASP A 52 6.588 5.526 13.055 1.00 0.00 O1- ATOM 0 H ASP A 52 7.213 10.113 12.231 1.00 0.00 H new ATOM 0 HA ASP A 52 8.000 7.770 13.897 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.599 8.416 14.034 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.475 8.244 12.294 1.00 0.00 H new ATOM 814 N LEU A 53 9.219 6.852 11.975 1.00 0.00 N ATOM 815 CA LEU A 53 10.056 6.307 10.904 1.00 0.00 C ATOM 816 C LEU A 53 9.483 5.010 10.306 1.00 0.00 C ATOM 817 O LEU A 53 9.872 4.623 9.202 1.00 0.00 O ATOM 818 CB LEU A 53 11.496 6.120 11.425 1.00 0.00 C ATOM 819 CG LEU A 53 12.275 7.390 11.831 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.256 8.458 10.739 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.830 8.037 13.148 1.00 0.00 C ATOM 0 H LEU A 53 9.550 6.603 12.907 1.00 0.00 H new ATOM 0 HA LEU A 53 10.069 7.022 10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.458 5.457 12.290 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.069 5.605 10.654 1.00 0.00 H new ATOM 0 HG LEU A 53 13.288 7.015 11.980 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.817 9.330 11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.711 8.059 9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.226 8.747 10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.438 8.920 13.343 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.782 8.327 13.075 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.953 7.324 13.963 1.00 0.00 H new ATOM 833 N ARG A 54 8.520 4.363 10.982 1.00 0.00 N ATOM 834 CA ARG A 54 7.815 3.163 10.483 1.00 0.00 C ATOM 835 C ARG A 54 6.880 3.506 9.313 1.00 0.00 C ATOM 836 O ARG A 54 6.750 2.718 8.380 1.00 0.00 O ATOM 837 CB ARG A 54 7.016 2.521 11.627 1.00 0.00 C ATOM 838 CG ARG A 54 7.889 2.125 12.834 1.00 0.00 C ATOM 839 CD ARG A 54 7.046 1.847 14.086 1.00 0.00 C ATOM 840 NE ARG A 54 6.405 3.084 14.578 1.00 0.00 N ATOM 841 CZ ARG A 54 6.103 3.414 15.821 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.410 2.676 16.850 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 5.474 4.523 16.041 1.00 0.00 N ATOM 0 H ARG A 54 8.202 4.660 11.904 1.00 0.00 H new ATOM 0 HA ARG A 54 8.561 2.458 10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.245 3.217 11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.505 1.635 11.251 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.472 1.238 12.585 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.600 2.924 13.045 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.282 1.104 13.857 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.678 1.425 14.868 1.00 0.00 H new ATOM 0 HE ARG A 54 6.164 3.773 13.865 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.908 1.796 16.716 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.153 2.978 17.789 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.219 5.128 15.260 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.233 4.792 16.995 1.00 0.00 H new ATOM 857 N SER A 55 6.270 4.692 9.360 1.00 0.00 N ATOM 858 CA SER A 55 5.380 5.248 8.325 1.00 0.00 C ATOM 859 C SER A 55 6.032 6.369 7.489 1.00 0.00 C ATOM 860 O SER A 55 5.490 6.766 6.453 1.00 0.00 O ATOM 861 CB SER A 55 4.100 5.758 8.994 1.00 0.00 C ATOM 862 OG SER A 55 4.398 6.776 9.944 1.00 0.00 O ATOM 0 H SER A 55 6.384 5.323 10.153 1.00 0.00 H new ATOM 0 HA SER A 55 5.156 4.445 7.622 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.419 6.148 8.237 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.588 4.932 9.488 1.00 0.00 H new ATOM 0 HG SER A 55 3.567 7.090 10.359 1.00 0.00 H new ATOM 868 N GLY A 56 7.194 6.890 7.909 1.00 0.00 N ATOM 869 CA GLY A 56 7.908 7.992 7.253 1.00 0.00 C ATOM 870 C GLY A 56 7.219 9.357 7.402 1.00 0.00 C ATOM 871 O GLY A 56 7.297 10.183 6.491 1.00 0.00 O ATOM 0 H GLY A 56 7.676 6.545 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.914 8.057 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.013 7.763 6.193 1.00 0.00 H new ATOM 875 N VAL A 57 6.502 9.586 8.508 1.00 0.00 N ATOM 876 CA VAL A 57 5.700 10.801 8.753 1.00 0.00 C ATOM 877 C VAL A 57 6.379 11.750 9.745 1.00 0.00 C ATOM 878 O VAL A 57 6.698 11.361 10.870 1.00 0.00 O ATOM 879 CB VAL A 57 4.277 10.429 9.217 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.439 11.663 9.601 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.512 9.695 8.112 1.00 0.00 C ATOM 0 H VAL A 57 6.459 8.919 9.279 1.00 0.00 H new ATOM 0 HA VAL A 57 5.623 11.338 7.808 1.00 0.00 H new ATOM 0 HB VAL A 57 4.414 9.792 10.091 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.447 11.344 9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.928 12.196 10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.348 12.324 8.739 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.512 9.445 8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.436 10.337 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.043 8.780 7.848 1.00 0.00 H new ATOM 891 N ILE A 58 6.541 13.014 9.343 1.00 0.00 N ATOM 892 CA ILE A 58 6.827 14.170 10.210 1.00 0.00 C ATOM 893 C ILE A 58 5.494 14.878 10.498 1.00 0.00 C ATOM 894 O ILE A 58 4.718 15.125 9.575 1.00 0.00 O ATOM 895 CB ILE A 58 7.833 15.117 9.510 1.00 0.00 C ATOM 896 CG1 ILE A 58 9.201 14.422 9.307 1.00 0.00 C ATOM 897 CG2 ILE A 58 8.007 16.446 10.276 1.00 0.00 C ATOM 898 CD1 ILE A 58 10.162 15.193 8.397 1.00 0.00 C ATOM 0 H ILE A 58 6.474 13.275 8.359 1.00 0.00 H new ATOM 0 HA ILE A 58 7.281 13.854 11.149 1.00 0.00 H new ATOM 0 HB ILE A 58 7.417 15.356 8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.673 14.280 10.279 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.034 13.431 8.886 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.721 17.079 9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.047 16.958 10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.376 16.241 11.281 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.097 14.641 8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.713 15.312 7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.361 16.175 8.826 1.00 0.00 H new ATOM 910 N SER A 59 5.224 15.249 11.751 1.00 0.00 N ATOM 911 CA SER A 59 3.992 15.932 12.162 1.00 0.00 C ATOM 912 C SER A 59 4.284 17.206 12.950 1.00 0.00 C ATOM 913 O SER A 59 5.109 17.194 13.863 1.00 0.00 O ATOM 914 CB SER A 59 3.118 14.975 12.977 1.00 0.00 C ATOM 915 OG SER A 59 1.867 15.563 13.289 1.00 0.00 O ATOM 0 H SER A 59 5.867 15.081 12.525 1.00 0.00 H new ATOM 0 HA SER A 59 3.454 16.231 11.263 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.960 14.055 12.415 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.634 14.702 13.897 1.00 0.00 H new ATOM 0 HG SER A 59 1.328 14.930 13.808 1.00 0.00 H new ATOM 921 N LEU A 60 3.615 18.313 12.605 1.00 0.00 N ATOM 922 CA LEU A 60 3.744 19.616 13.279 1.00 0.00 C ATOM 923 C LEU A 60 2.611 19.861 14.298 1.00 0.00 C ATOM 924 O LEU A 60 1.486 19.387 14.131 1.00 0.00 O ATOM 925 CB LEU A 60 3.818 20.766 12.258 1.00 0.00 C ATOM 926 CG LEU A 60 4.791 20.569 11.072 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.846 21.860 10.251 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.214 20.240 11.522 1.00 0.00 C ATOM 0 H LEU A 60 2.952 18.330 11.830 1.00 0.00 H new ATOM 0 HA LEU A 60 4.680 19.591 13.836 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.818 20.931 11.856 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.103 21.675 12.787 1.00 0.00 H new ATOM 0 HG LEU A 60 4.415 19.729 10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.530 21.729 9.413 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.850 22.094 9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.197 22.677 10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.852 20.113 10.647 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.599 21.054 12.136 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.208 19.318 12.104 1.00 0.00 H new ATOM 940 N ILE A 61 2.904 20.660 15.327 1.00 0.00 N ATOM 941 CA ILE A 61 1.997 21.070 16.418 1.00 0.00 C ATOM 942 C ILE A 61 2.120 22.571 16.696 1.00 0.00 C ATOM 943 O ILE A 61 3.118 23.193 16.331 1.00 0.00 O ATOM 944 CB ILE A 61 2.226 20.215 17.694 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.676 20.202 18.243 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.775 18.766 17.447 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.044 21.395 19.128 1.00 0.00 C ATOM 0 H ILE A 61 3.834 21.065 15.433 1.00 0.00 H new ATOM 0 HA ILE A 61 0.972 20.885 16.096 1.00 0.00 H new ATOM 0 HB ILE A 61 1.623 20.703 18.460 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.824 19.286 18.815 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.367 20.167 17.401 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.940 18.175 18.348 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.715 18.753 17.194 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.350 18.341 16.624 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.077 21.295 19.462 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.935 22.318 18.558 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.383 21.423 19.994 1.00 0.00 H new ATOM 959 N GLU A 62 1.124 23.174 17.343 1.00 0.00 N ATOM 960 CA GLU A 62 1.172 24.587 17.754 1.00 0.00 C ATOM 961 C GLU A 62 2.217 24.815 18.863 1.00 0.00 C ATOM 962 O GLU A 62 2.224 24.105 19.874 1.00 0.00 O ATOM 963 CB GLU A 62 -0.217 25.068 18.202 1.00 0.00 C ATOM 964 CG GLU A 62 -1.212 25.117 17.035 1.00 0.00 C ATOM 965 CD GLU A 62 -2.574 25.713 17.449 1.00 0.00 C ATOM 966 OE1 GLU A 62 -3.139 26.525 16.669 1.00 0.00 O ATOM 967 OE2 GLU A 62 -3.111 25.353 18.527 1.00 0.00 O1- ATOM 0 H GLU A 62 0.258 22.701 17.600 1.00 0.00 H new ATOM 0 HA GLU A 62 1.477 25.176 16.889 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.599 24.403 18.976 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.131 26.059 18.647 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.789 25.712 16.225 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.362 24.110 16.646 1.00 0.00 H new ATOM 974 N GLU A 63 3.094 25.811 18.695 1.00 0.00 N ATOM 975 CA GLU A 63 4.297 25.999 19.526 1.00 0.00 C ATOM 976 C GLU A 63 4.017 26.431 20.980 1.00 0.00 C ATOM 977 O GLU A 63 4.865 26.237 21.855 1.00 0.00 O ATOM 978 CB GLU A 63 5.274 26.955 18.812 1.00 0.00 C ATOM 979 CG GLU A 63 4.817 28.417 18.697 1.00 0.00 C ATOM 980 CD GLU A 63 5.139 29.296 19.925 1.00 0.00 C ATOM 981 OE1 GLU A 63 4.320 30.196 20.241 1.00 0.00 O ATOM 982 OE2 GLU A 63 6.203 29.123 20.565 1.00 0.00 O1- ATOM 0 H GLU A 63 2.990 26.520 17.970 1.00 0.00 H new ATOM 0 HA GLU A 63 4.759 25.018 19.633 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.226 26.933 19.342 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.459 26.572 17.808 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.284 28.861 17.818 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.740 28.434 18.528 1.00 0.00 H new ATOM 1115 N MET B 3 15.790 3.245 10.011 1.00 0.00 N ATOM 1116 CA MET B 3 15.502 4.072 11.193 1.00 0.00 C ATOM 1117 C MET B 3 16.453 5.277 11.293 1.00 0.00 C ATOM 1118 O MET B 3 17.595 5.227 10.822 1.00 0.00 O ATOM 1119 CB MET B 3 15.588 3.210 12.459 1.00 0.00 C ATOM 1120 CG MET B 3 14.395 2.262 12.613 1.00 0.00 C ATOM 1121 SD MET B 3 14.571 1.052 13.945 1.00 0.00 S ATOM 1122 CE MET B 3 15.725 -0.122 13.161 1.00 0.00 C ATOM 0 HA MET B 3 14.491 4.468 11.092 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.509 2.627 12.434 1.00 0.00 H new ATOM 0 HB3 MET B 3 15.645 3.860 13.332 1.00 0.00 H new ATOM 0 HG2 MET B 3 13.497 2.853 12.792 1.00 0.00 H new ATOM 0 HG3 MET B 3 14.245 1.731 11.673 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.871 -0.981 13.816 1.00 0.00 H new ATOM 0 HE2 MET B 3 15.312 -0.458 12.210 1.00 0.00 H new ATOM 0 HE3 MET B 3 16.682 0.370 12.988 1.00 0.00 H new ATOM 1132 N ALA B 4 15.969 6.362 11.900 1.00 0.00 N ATOM 1133 CA ALA B 4 16.708 7.617 12.053 1.00 0.00 C ATOM 1134 C ALA B 4 17.620 7.642 13.296 1.00 0.00 C ATOM 1135 O ALA B 4 17.463 6.861 14.240 1.00 0.00 O ATOM 1136 CB ALA B 4 15.707 8.779 12.077 1.00 0.00 C ATOM 0 H ALA B 4 15.034 6.394 12.307 1.00 0.00 H new ATOM 0 HA ALA B 4 17.380 7.716 11.201 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.245 9.720 12.191 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.144 8.793 11.144 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.020 8.650 12.914 1.00 0.00 H new ATOM 1142 N LYS B 5 18.557 8.594 13.293 1.00 0.00 N ATOM 1143 CA LYS B 5 19.352 9.042 14.446 1.00 0.00 C ATOM 1144 C LYS B 5 18.727 10.298 15.072 1.00 0.00 C ATOM 1145 O LYS B 5 18.286 11.185 14.343 1.00 0.00 O ATOM 1146 CB LYS B 5 20.780 9.302 13.935 1.00 0.00 C ATOM 1147 CG LYS B 5 21.714 9.916 14.984 1.00 0.00 C ATOM 1148 CD LYS B 5 23.130 10.054 14.414 1.00 0.00 C ATOM 1149 CE LYS B 5 24.027 10.771 15.424 1.00 0.00 C ATOM 1150 NZ LYS B 5 25.460 10.638 15.070 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.796 9.102 12.442 1.00 0.00 H new ATOM 0 HA LYS B 5 19.374 8.286 15.231 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.208 8.361 13.588 1.00 0.00 H new ATOM 0 HB3 LYS B 5 20.731 9.967 13.073 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.339 10.893 15.288 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.732 9.290 15.876 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.538 9.069 14.186 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.102 10.612 13.478 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.758 11.826 15.466 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.857 10.359 16.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 26.037 10.688 15.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.618 9.723 14.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 25.732 11.409 14.427 1.00 0.00 H new ATOM 1164 N VAL B 6 18.746 10.408 16.403 1.00 0.00 N ATOM 1165 CA VAL B 6 18.401 11.628 17.164 1.00 0.00 C ATOM 1166 C VAL B 6 19.645 12.160 17.881 1.00 0.00 C ATOM 1167 O VAL B 6 20.454 11.377 18.379 1.00 0.00 O ATOM 1168 CB VAL B 6 17.228 11.390 18.141 1.00 0.00 C ATOM 1169 CG1 VAL B 6 16.853 12.647 18.933 1.00 0.00 C ATOM 1170 CG2 VAL B 6 15.957 10.908 17.425 1.00 0.00 C ATOM 0 H VAL B 6 19.009 9.629 17.007 1.00 0.00 H new ATOM 0 HA VAL B 6 18.057 12.386 16.461 1.00 0.00 H new ATOM 0 HB VAL B 6 17.593 10.619 18.820 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.024 12.421 19.603 1.00 0.00 H new ATOM 0 HG12 VAL B 6 17.711 12.979 19.517 1.00 0.00 H new ATOM 0 HG13 VAL B 6 16.557 13.437 18.243 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.163 10.756 18.156 1.00 0.00 H new ATOM 0 HG22 VAL B 6 15.642 11.657 16.698 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.163 9.969 16.912 1.00 0.00 H new ATOM 1180 N VAL B 7 19.809 13.482 17.942 1.00 0.00 N ATOM 1181 CA VAL B 7 20.923 14.169 18.616 1.00 0.00 C ATOM 1182 C VAL B 7 20.456 15.421 19.369 1.00 0.00 C ATOM 1183 O VAL B 7 19.571 16.149 18.915 1.00 0.00 O ATOM 1184 CB VAL B 7 22.076 14.465 17.631 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.663 15.329 16.432 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.265 15.168 18.299 1.00 0.00 C ATOM 0 H VAL B 7 19.150 14.130 17.510 1.00 0.00 H new ATOM 0 HA VAL B 7 21.317 13.491 19.373 1.00 0.00 H new ATOM 0 HB VAL B 7 22.363 13.473 17.282 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.526 15.493 15.787 1.00 0.00 H new ATOM 0 HG12 VAL B 7 20.881 14.820 15.869 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.288 16.289 16.787 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.043 15.350 17.558 1.00 0.00 H new ATOM 0 HG22 VAL B 7 22.936 16.118 18.720 1.00 0.00 H new ATOM 0 HG23 VAL B 7 23.661 14.536 19.094 1.00 0.00 H new ATOM 1196 N LEU B 8 21.059 15.676 20.531 1.00 0.00 N ATOM 1197 CA LEU B 8 20.791 16.824 21.406 1.00 0.00 C ATOM 1198 C LEU B 8 22.077 17.314 22.088 1.00 0.00 C ATOM 1199 O LEU B 8 23.000 16.527 22.309 1.00 0.00 O ATOM 1200 CB LEU B 8 19.695 16.444 22.423 1.00 0.00 C ATOM 1201 CG LEU B 8 20.097 15.390 23.481 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.561 16.032 24.791 1.00 0.00 C ATOM 1203 CD2 LEU B 8 18.923 14.463 23.816 1.00 0.00 C ATOM 0 H LEU B 8 21.781 15.061 20.907 1.00 0.00 H new ATOM 0 HA LEU B 8 20.427 17.660 20.808 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.377 17.349 22.941 1.00 0.00 H new ATOM 0 HB3 LEU B 8 18.830 16.070 21.875 1.00 0.00 H new ATOM 0 HG LEU B 8 20.918 14.826 23.038 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.832 15.252 25.502 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.427 16.665 24.599 1.00 0.00 H new ATOM 0 HD13 LEU B 8 19.754 16.636 25.206 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.237 13.733 24.562 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.095 15.052 24.210 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.601 13.943 22.914 1.00 0.00 H new ATOM 1215 N THR B 9 22.116 18.593 22.470 1.00 0.00 N ATOM 1216 CA THR B 9 23.204 19.188 23.267 1.00 0.00 C ATOM 1217 C THR B 9 22.653 19.728 24.589 1.00 0.00 C ATOM 1218 O THR B 9 21.745 20.560 24.582 1.00 0.00 O ATOM 1219 CB THR B 9 23.932 20.293 22.486 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.378 19.811 21.236 1.00 0.00 O ATOM 1221 CG2 THR B 9 25.171 20.804 23.224 1.00 0.00 C ATOM 0 H THR B 9 21.382 19.260 22.232 1.00 0.00 H new ATOM 0 HA THR B 9 23.933 18.407 23.483 1.00 0.00 H new ATOM 0 HB THR B 9 23.208 21.100 22.369 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.837 20.530 20.753 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.651 21.583 22.632 1.00 0.00 H new ATOM 0 HG22 THR B 9 24.876 21.212 24.191 1.00 0.00 H new ATOM 0 HG23 THR B 9 25.870 19.981 23.375 1.00 0.00 H new ATOM 1229 N LYS B 10 23.182 19.247 25.724 1.00 0.00 N ATOM 1230 CA LYS B 10 22.782 19.678 27.079 1.00 0.00 C ATOM 1231 C LYS B 10 23.276 21.096 27.402 1.00 0.00 C ATOM 1232 O LYS B 10 24.190 21.607 26.750 1.00 0.00 O ATOM 1233 CB LYS B 10 23.284 18.661 28.120 1.00 0.00 C ATOM 1234 CG LYS B 10 22.642 17.274 27.920 1.00 0.00 C ATOM 1235 CD LYS B 10 23.068 16.238 28.969 1.00 0.00 C ATOM 1236 CE LYS B 10 24.562 15.908 28.889 1.00 0.00 C ATOM 1237 NZ LYS B 10 24.937 14.857 29.871 1.00 0.00 N1+ ATOM 0 H LYS B 10 23.913 18.535 25.730 1.00 0.00 H new ATOM 0 HA LYS B 10 21.693 19.713 27.116 1.00 0.00 H new ATOM 0 HB2 LYS B 10 24.368 18.573 28.049 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.058 19.025 29.122 1.00 0.00 H new ATOM 0 HG2 LYS B 10 21.557 17.379 27.946 1.00 0.00 H new ATOM 0 HG3 LYS B 10 22.903 16.903 26.929 1.00 0.00 H new ATOM 0 HD2 LYS B 10 22.835 16.616 29.965 1.00 0.00 H new ATOM 0 HD3 LYS B 10 22.489 15.325 28.830 1.00 0.00 H new ATOM 0 HE2 LYS B 10 24.809 15.572 27.882 1.00 0.00 H new ATOM 0 HE3 LYS B 10 25.146 16.809 29.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 25.954 14.656 29.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 24.723 15.189 30.833 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 24.396 13.990 29.675 1.00 0.00 H new ATOM 1251 N ALA B 11 22.711 21.721 28.436 1.00 0.00 N ATOM 1252 CA ALA B 11 23.044 23.088 28.854 1.00 0.00 C ATOM 1253 C ALA B 11 24.528 23.268 29.272 1.00 0.00 C ATOM 1254 O ALA B 11 25.096 24.352 29.124 1.00 0.00 O ATOM 1255 CB ALA B 11 22.097 23.476 30.000 1.00 0.00 C ATOM 0 H ALA B 11 21.996 21.285 29.018 1.00 0.00 H new ATOM 0 HA ALA B 11 22.912 23.748 27.997 1.00 0.00 H new ATOM 0 HB1 ALA B 11 22.323 24.490 30.331 1.00 0.00 H new ATOM 0 HB2 ALA B 11 21.065 23.429 29.651 1.00 0.00 H new ATOM 0 HB3 ALA B 11 22.230 22.785 30.832 1.00 0.00 H new ATOM 1261 N ASP B 12 25.172 22.196 29.751 1.00 0.00 N ATOM 1262 CA ASP B 12 26.606 22.135 30.084 1.00 0.00 C ATOM 1263 C ASP B 12 27.527 21.943 28.845 1.00 0.00 C ATOM 1264 O ASP B 12 28.745 21.795 28.978 1.00 0.00 O ATOM 1265 CB ASP B 12 26.807 21.013 31.118 1.00 0.00 C ATOM 1266 CG ASP B 12 28.150 21.081 31.872 1.00 0.00 C ATOM 1267 OD1 ASP B 12 28.668 20.003 32.256 1.00 0.00 O ATOM 1268 OD2 ASP B 12 28.661 22.191 32.156 1.00 0.00 O1- ATOM 0 H ASP B 12 24.693 21.313 29.925 1.00 0.00 H new ATOM 0 HA ASP B 12 26.903 23.098 30.500 1.00 0.00 H new ATOM 0 HB2 ASP B 12 25.994 21.052 31.843 1.00 0.00 H new ATOM 0 HB3 ASP B 12 26.736 20.050 30.611 1.00 0.00 H new ATOM 1273 N GLY B 13 26.953 21.916 27.635 1.00 0.00 N ATOM 1274 CA GLY B 13 27.650 21.695 26.359 1.00 0.00 C ATOM 1275 C GLY B 13 27.899 20.224 25.995 1.00 0.00 C ATOM 1276 O GLY B 13 28.486 19.950 24.946 1.00 0.00 O ATOM 0 H GLY B 13 25.950 22.053 27.512 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.068 22.156 25.561 1.00 0.00 H new ATOM 0 HA3 GLY B 13 28.609 22.211 26.393 1.00 0.00 H new ATOM 1280 N GLY B 14 27.470 19.270 26.831 1.00 0.00 N ATOM 1281 CA GLY B 14 27.623 17.829 26.593 1.00 0.00 C ATOM 1282 C GLY B 14 26.599 17.286 25.591 1.00 0.00 C ATOM 1283 O GLY B 14 25.398 17.284 25.867 1.00 0.00 O ATOM 0 H GLY B 14 26.997 19.483 27.710 1.00 0.00 H new ATOM 0 HA2 GLY B 14 28.629 17.630 26.223 1.00 0.00 H new ATOM 0 HA3 GLY B 14 27.520 17.295 27.538 1.00 0.00 H new ATOM 1287 N ARG B 15 27.061 16.817 24.425 1.00 0.00 N ATOM 1288 CA ARG B 15 26.228 16.207 23.386 1.00 0.00 C ATOM 1289 C ARG B 15 25.835 14.763 23.715 1.00 0.00 C ATOM 1290 O ARG B 15 26.631 14.008 24.277 1.00 0.00 O ATOM 1291 CB ARG B 15 26.958 16.333 22.038 1.00 0.00 C ATOM 1292 CG ARG B 15 25.938 16.474 20.902 1.00 0.00 C ATOM 1293 CD ARG B 15 26.582 16.852 19.566 1.00 0.00 C ATOM 1294 NE ARG B 15 27.458 15.775 19.049 1.00 0.00 N ATOM 1295 CZ ARG B 15 28.606 15.888 18.411 1.00 0.00 C ATOM 1296 NH1 ARG B 15 29.166 17.040 18.159 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 29.205 14.810 18.010 1.00 0.00 N ATOM 0 H ARG B 15 28.049 16.853 24.174 1.00 0.00 H new ATOM 0 HA ARG B 15 25.280 16.742 23.329 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.620 17.199 22.053 1.00 0.00 H new ATOM 0 HB3 ARG B 15 27.583 15.456 21.870 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.399 15.534 20.786 1.00 0.00 H new ATOM 0 HG3 ARG B 15 25.203 17.232 21.173 1.00 0.00 H new ATOM 0 HD2 ARG B 15 25.802 17.067 18.835 1.00 0.00 H new ATOM 0 HD3 ARG B 15 27.164 17.765 19.689 1.00 0.00 H new ATOM 0 HE ARG B 15 27.130 14.822 19.207 1.00 0.00 H new ATOM 0 HH11 ARG B 15 28.714 17.903 18.459 1.00 0.00 H new ATOM 0 HH12 ARG B 15 30.056 17.077 17.662 1.00 0.00 H new ATOM 0 HH21 ARG B 15 28.787 13.897 18.190 1.00 0.00 H new ATOM 0 HH22 ARG B 15 30.094 14.875 17.514 1.00 0.00 H new ATOM 1311 N VAL B 16 24.620 14.371 23.322 1.00 0.00 N ATOM 1312 CA VAL B 16 24.058 13.017 23.459 1.00 0.00 C ATOM 1313 C VAL B 16 23.438 12.592 22.126 1.00 0.00 C ATOM 1314 O VAL B 16 22.730 13.371 21.482 1.00 0.00 O ATOM 1315 CB VAL B 16 23.032 12.931 24.617 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.463 11.515 24.780 1.00 0.00 C ATOM 1317 CG2 VAL B 16 23.631 13.364 25.964 1.00 0.00 C ATOM 0 H VAL B 16 23.967 15.017 22.878 1.00 0.00 H new ATOM 0 HA VAL B 16 24.863 12.328 23.714 1.00 0.00 H new ATOM 0 HB VAL B 16 22.232 13.618 24.340 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.749 11.503 25.603 1.00 0.00 H new ATOM 0 HG12 VAL B 16 21.961 11.216 23.860 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.274 10.819 24.993 1.00 0.00 H new ATOM 0 HG21 VAL B 16 22.872 13.285 26.742 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.473 12.718 26.212 1.00 0.00 H new ATOM 0 HG23 VAL B 16 23.974 14.396 25.895 1.00 0.00 H new ATOM 1327 N GLU B 17 23.712 11.355 21.698 1.00 0.00 N ATOM 1328 CA GLU B 17 23.337 10.804 20.384 1.00 0.00 C ATOM 1329 C GLU B 17 22.701 9.412 20.526 1.00 0.00 C ATOM 1330 O GLU B 17 23.173 8.576 21.306 1.00 0.00 O ATOM 1331 CB GLU B 17 24.579 10.741 19.471 1.00 0.00 C ATOM 1332 CG GLU B 17 25.098 12.129 19.077 1.00 0.00 C ATOM 1333 CD GLU B 17 26.483 12.088 18.414 1.00 0.00 C ATOM 1334 OE1 GLU B 17 26.701 11.273 17.485 1.00 0.00 O ATOM 1335 OE2 GLU B 17 27.353 12.910 18.791 1.00 0.00 O1- ATOM 0 H GLU B 17 24.219 10.683 22.275 1.00 0.00 H new ATOM 0 HA GLU B 17 22.595 11.462 19.933 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.371 10.193 19.981 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.333 10.181 18.569 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.388 12.595 18.394 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.146 12.758 19.966 1.00 0.00 H new ATOM 1342 N ILE B 18 21.622 9.159 19.775 1.00 0.00 N ATOM 1343 CA ILE B 18 20.774 7.961 19.878 1.00 0.00 C ATOM 1344 C ILE B 18 20.483 7.428 18.470 1.00 0.00 C ATOM 1345 O ILE B 18 19.779 8.074 17.692 1.00 0.00 O ATOM 1346 CB ILE B 18 19.457 8.275 20.642 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.753 8.852 22.045 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.570 7.016 20.738 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.504 9.268 22.827 1.00 0.00 C ATOM 0 H ILE B 18 21.303 9.805 19.053 1.00 0.00 H new ATOM 0 HA ILE B 18 21.301 7.195 20.447 1.00 0.00 H new ATOM 0 HB ILE B 18 18.912 9.033 20.079 1.00 0.00 H new ATOM 0 HG12 ILE B 18 20.300 8.108 22.624 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.407 9.717 21.939 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.653 7.257 21.276 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.321 6.669 19.735 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.108 6.232 21.271 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.798 9.662 23.800 1.00 0.00 H new ATOM 0 HD12 ILE B 18 17.966 10.036 22.272 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.857 8.402 22.967 1.00 0.00 H new ATOM 1361 N GLY B 19 21.026 6.255 18.132 1.00 0.00 N ATOM 1362 CA GLY B 19 20.769 5.581 16.857 1.00 0.00 C ATOM 1363 C GLY B 19 19.485 4.742 16.855 1.00 0.00 C ATOM 1364 O GLY B 19 19.005 4.302 17.900 1.00 0.00 O ATOM 0 H GLY B 19 21.662 5.742 18.742 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.706 6.329 16.066 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.615 4.936 16.619 1.00 0.00 H new ATOM 1368 N ASP B 20 18.971 4.474 15.654 1.00 0.00 N ATOM 1369 CA ASP B 20 17.911 3.497 15.373 1.00 0.00 C ATOM 1370 C ASP B 20 16.596 3.718 16.161 1.00 0.00 C ATOM 1371 O ASP B 20 16.044 2.783 16.754 1.00 0.00 O ATOM 1372 CB ASP B 20 18.461 2.055 15.450 1.00 0.00 C ATOM 1373 CG ASP B 20 19.681 1.771 14.553 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.459 0.838 14.876 1.00 0.00 O ATOM 1375 OD2 ASP B 20 19.873 2.449 13.515 1.00 0.00 O1- ATOM 0 H ASP B 20 19.294 4.951 14.812 1.00 0.00 H new ATOM 0 HA ASP B 20 17.597 3.669 14.343 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.732 1.841 16.484 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.663 1.364 15.180 1.00 0.00 H new ATOM 1380 N VAL B 21 16.070 4.952 16.172 1.00 0.00 N ATOM 1381 CA VAL B 21 14.720 5.220 16.681 1.00 0.00 C ATOM 1382 C VAL B 21 13.636 4.799 15.679 1.00 0.00 C ATOM 1383 O VAL B 21 13.704 5.111 14.483 1.00 0.00 O ATOM 1384 CB VAL B 21 14.529 6.681 17.146 1.00 0.00 C ATOM 1385 CG1 VAL B 21 15.562 7.084 18.204 1.00 0.00 C ATOM 1386 CG2 VAL B 21 14.515 7.749 16.047 1.00 0.00 C ATOM 0 H VAL B 21 16.561 5.780 15.834 1.00 0.00 H new ATOM 0 HA VAL B 21 14.605 4.599 17.569 1.00 0.00 H new ATOM 0 HB VAL B 21 13.523 6.663 17.564 1.00 0.00 H new ATOM 0 HG11 VAL B 21 15.392 8.118 18.503 1.00 0.00 H new ATOM 0 HG12 VAL B 21 15.465 6.434 19.074 1.00 0.00 H new ATOM 0 HG13 VAL B 21 16.565 6.987 17.789 1.00 0.00 H new ATOM 0 HG21 VAL B 21 14.375 8.732 16.497 1.00 0.00 H new ATOM 0 HG22 VAL B 21 15.462 7.729 15.508 1.00 0.00 H new ATOM 0 HG23 VAL B 21 13.698 7.547 15.354 1.00 0.00 H new ATOM 1396 N LEU B 22 12.604 4.118 16.176 1.00 0.00 N ATOM 1397 CA LEU B 22 11.345 3.885 15.463 1.00 0.00 C ATOM 1398 C LEU B 22 10.483 5.158 15.462 1.00 0.00 C ATOM 1399 O LEU B 22 9.764 5.421 14.500 1.00 0.00 O ATOM 1400 CB LEU B 22 10.575 2.747 16.161 1.00 0.00 C ATOM 1401 CG LEU B 22 11.210 1.346 16.048 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.462 0.380 16.974 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.107 0.786 14.633 1.00 0.00 C ATOM 0 H LEU B 22 12.619 3.703 17.107 1.00 0.00 H new ATOM 0 HA LEU B 22 11.566 3.612 14.431 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.473 2.996 17.217 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.568 2.705 15.745 1.00 0.00 H new ATOM 0 HG LEU B 22 12.261 1.443 16.320 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.906 -0.613 16.899 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.534 0.733 18.003 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.414 0.332 16.679 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.566 -0.202 14.598 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.058 0.708 14.348 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.623 1.451 13.940 1.00 0.00 H new ATOM 1415 N GLU B 23 10.531 5.934 16.548 1.00 0.00 N ATOM 1416 CA GLU B 23 9.662 7.086 16.790 1.00 0.00 C ATOM 1417 C GLU B 23 10.299 8.094 17.761 1.00 0.00 C ATOM 1418 O GLU B 23 11.035 7.714 18.676 1.00 0.00 O ATOM 1419 CB GLU B 23 8.302 6.575 17.316 1.00 0.00 C ATOM 1420 CG GLU B 23 7.300 7.689 17.636 1.00 0.00 C ATOM 1421 CD GLU B 23 5.907 7.160 17.973 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.716 5.989 18.376 1.00 0.00 O ATOM 1423 OE2 GLU B 23 4.934 7.939 17.876 1.00 0.00 O1- ATOM 0 H GLU B 23 11.196 5.772 17.305 1.00 0.00 H new ATOM 0 HA GLU B 23 9.513 7.623 15.853 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.864 5.908 16.573 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.471 5.983 18.215 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.673 8.275 18.476 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.230 8.363 16.782 1.00 0.00 H new ATOM 1430 N VAL B 24 9.975 9.377 17.589 1.00 0.00 N ATOM 1431 CA VAL B 24 10.329 10.492 18.485 1.00 0.00 C ATOM 1432 C VAL B 24 9.147 11.460 18.608 1.00 0.00 C ATOM 1433 O VAL B 24 8.444 11.710 17.627 1.00 0.00 O ATOM 1434 CB VAL B 24 11.629 11.176 18.014 1.00 0.00 C ATOM 1435 CG1 VAL B 24 11.584 11.676 16.569 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.060 12.344 18.905 1.00 0.00 C ATOM 0 H VAL B 24 9.432 9.687 16.783 1.00 0.00 H new ATOM 0 HA VAL B 24 10.532 10.110 19.485 1.00 0.00 H new ATOM 0 HB VAL B 24 12.363 10.373 18.085 1.00 0.00 H new ATOM 0 HG11 VAL B 24 12.535 12.144 16.316 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.403 10.836 15.899 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.781 12.405 16.461 1.00 0.00 H new ATOM 0 HG21 VAL B 24 12.981 12.778 18.516 1.00 0.00 H new ATOM 0 HG22 VAL B 24 11.277 13.102 18.915 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.229 11.984 19.920 1.00 0.00 H new ATOM 1446 N ARG B 25 8.918 12.003 19.813 1.00 0.00 N ATOM 1447 CA ARG B 25 7.801 12.906 20.150 1.00 0.00 C ATOM 1448 C ARG B 25 8.275 14.060 21.030 1.00 0.00 C ATOM 1449 O ARG B 25 8.910 13.819 22.052 1.00 0.00 O ATOM 1450 CB ARG B 25 6.691 12.149 20.902 1.00 0.00 C ATOM 1451 CG ARG B 25 6.090 10.954 20.145 1.00 0.00 C ATOM 1452 CD ARG B 25 4.972 10.322 20.984 1.00 0.00 C ATOM 1453 NE ARG B 25 4.553 9.025 20.424 1.00 0.00 N ATOM 1454 CZ ARG B 25 3.911 8.051 21.042 1.00 0.00 C ATOM 1455 NH1 ARG B 25 3.430 8.188 22.249 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 3.752 6.908 20.445 1.00 0.00 N ATOM 0 H ARG B 25 9.527 11.820 20.611 1.00 0.00 H new ATOM 0 HA ARG B 25 7.411 13.297 19.210 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.093 11.793 21.851 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.890 12.850 21.138 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.696 11.281 19.183 1.00 0.00 H new ATOM 0 HG3 ARG B 25 6.864 10.215 19.937 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.317 10.184 22.009 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.117 10.997 21.023 1.00 0.00 H new ATOM 0 HE ARG B 25 4.786 8.861 19.445 1.00 0.00 H new ATOM 0 HH11 ARG B 25 3.545 9.071 22.747 1.00 0.00 H new ATOM 0 HH12 ARG B 25 2.940 7.412 22.694 1.00 0.00 H new ATOM 0 HH21 ARG B 25 4.122 6.768 19.505 1.00 0.00 H new ATOM 0 HH22 ARG B 25 3.257 6.151 20.916 1.00 0.00 H new ATOM 1470 N ALA B 26 7.914 15.294 20.688 1.00 0.00 N ATOM 1471 CA ALA B 26 7.937 16.442 21.589 1.00 0.00 C ATOM 1472 C ALA B 26 6.566 16.567 22.286 1.00 0.00 C ATOM 1473 O ALA B 26 5.546 16.816 21.638 1.00 0.00 O ATOM 1474 CB ALA B 26 8.303 17.690 20.779 1.00 0.00 C ATOM 0 H ALA B 26 7.588 15.529 19.750 1.00 0.00 H new ATOM 0 HA ALA B 26 8.686 16.319 22.371 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.325 18.558 21.438 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.285 17.554 20.325 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.560 17.847 19.997 1.00 0.00 H new ATOM 1509 N ALA B 30 8.933 18.216 27.052 1.00 0.00 N ATOM 1510 CA ALA B 30 10.059 17.287 26.940 1.00 0.00 C ATOM 1511 C ALA B 30 10.099 16.625 25.547 1.00 0.00 C ATOM 1512 O ALA B 30 9.131 16.689 24.788 1.00 0.00 O ATOM 1513 CB ALA B 30 9.912 16.230 28.049 1.00 0.00 C ATOM 0 HA ALA B 30 10.999 17.826 27.059 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.739 15.523 27.990 1.00 0.00 H new ATOM 0 HB2 ALA B 30 9.923 16.720 29.023 1.00 0.00 H new ATOM 0 HB3 ALA B 30 8.970 15.697 27.921 1.00 0.00 H new ATOM 1519 N VAL B 31 11.192 15.930 25.225 1.00 0.00 N ATOM 1520 CA VAL B 31 11.234 14.959 24.113 1.00 0.00 C ATOM 1521 C VAL B 31 11.337 13.530 24.641 1.00 0.00 C ATOM 1522 O VAL B 31 12.049 13.274 25.614 1.00 0.00 O ATOM 1523 CB VAL B 31 12.338 15.280 23.087 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.513 14.186 22.023 1.00 0.00 C ATOM 1525 CG2 VAL B 31 11.989 16.568 22.338 1.00 0.00 C ATOM 0 H VAL B 31 12.077 16.020 25.724 1.00 0.00 H new ATOM 0 HA VAL B 31 10.291 15.046 23.573 1.00 0.00 H new ATOM 0 HB VAL B 31 13.261 15.368 23.661 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.305 14.474 21.332 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.778 13.246 22.508 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.580 14.060 21.473 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.772 16.791 21.614 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.039 16.441 21.818 1.00 0.00 H new ATOM 0 HG23 VAL B 31 11.906 17.391 23.048 1.00 0.00 H new ATOM 1535 N ARG B 32 10.656 12.585 23.987 1.00 0.00 N ATOM 1536 CA ARG B 32 10.788 11.139 24.206 1.00 0.00 C ATOM 1537 C ARG B 32 11.085 10.410 22.900 1.00 0.00 C ATOM 1538 O ARG B 32 10.685 10.861 21.825 1.00 0.00 O ATOM 1539 CB ARG B 32 9.535 10.551 24.886 1.00 0.00 C ATOM 1540 CG ARG B 32 9.257 11.196 26.251 1.00 0.00 C ATOM 1541 CD ARG B 32 8.084 10.550 27.008 1.00 0.00 C ATOM 1542 NE ARG B 32 8.463 9.259 27.616 1.00 0.00 N ATOM 1543 CZ ARG B 32 8.225 8.041 27.156 1.00 0.00 C ATOM 1544 NH1 ARG B 32 7.591 7.797 26.049 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 8.614 6.987 27.811 1.00 0.00 N ATOM 0 H ARG B 32 9.973 12.812 23.264 1.00 0.00 H new ATOM 0 HA ARG B 32 11.632 10.989 24.879 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.671 10.693 24.237 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.664 9.476 25.014 1.00 0.00 H new ATOM 0 HG2 ARG B 32 10.155 11.130 26.865 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.046 12.256 26.107 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.737 11.229 27.786 1.00 0.00 H new ATOM 0 HD3 ARG B 32 7.250 10.397 26.323 1.00 0.00 H new ATOM 0 HE ARG B 32 8.971 9.312 28.499 1.00 0.00 H new ATOM 0 HH11 ARG B 32 7.244 8.569 25.479 1.00 0.00 H new ATOM 0 HH12 ARG B 32 7.440 6.834 25.749 1.00 0.00 H new ATOM 0 HH21 ARG B 32 9.112 7.091 28.695 1.00 0.00 H new ATOM 0 HH22 ARG B 32 8.421 6.056 27.440 1.00 0.00 H new ATOM 1559 N VAL B 33 11.753 9.267 23.010 1.00 0.00 N ATOM 1560 CA VAL B 33 12.155 8.389 21.889 1.00 0.00 C ATOM 1561 C VAL B 33 11.812 6.925 22.160 1.00 0.00 C ATOM 1562 O VAL B 33 11.765 6.496 23.314 1.00 0.00 O ATOM 1563 CB VAL B 33 13.660 8.522 21.550 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.019 9.912 21.030 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.574 8.207 22.741 1.00 0.00 C ATOM 0 H VAL B 33 12.047 8.901 23.916 1.00 0.00 H new ATOM 0 HA VAL B 33 11.581 8.725 21.025 1.00 0.00 H new ATOM 0 HB VAL B 33 13.829 7.782 20.768 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.085 9.953 20.807 1.00 0.00 H new ATOM 0 HG12 VAL B 33 13.451 10.119 20.123 1.00 0.00 H new ATOM 0 HG13 VAL B 33 13.778 10.657 21.788 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.616 8.318 22.440 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.357 8.895 23.558 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.399 7.184 23.073 1.00 0.00 H new ATOM 1575 N THR B 34 11.602 6.147 21.093 1.00 0.00 N ATOM 1576 CA THR B 34 11.372 4.693 21.124 1.00 0.00 C ATOM 1577 C THR B 34 12.310 4.000 20.137 1.00 0.00 C ATOM 1578 O THR B 34 12.403 4.426 18.985 1.00 0.00 O ATOM 1579 CB THR B 34 9.911 4.366 20.761 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.011 5.054 21.607 1.00 0.00 O ATOM 1581 CG2 THR B 34 9.593 2.877 20.886 1.00 0.00 C ATOM 0 H THR B 34 11.586 6.525 20.146 1.00 0.00 H new ATOM 0 HA THR B 34 11.571 4.333 22.133 1.00 0.00 H new ATOM 0 HB THR B 34 9.794 4.678 19.723 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.090 4.831 21.355 1.00 0.00 H new ATOM 0 HG21 THR B 34 8.551 2.704 20.618 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.239 2.310 20.216 1.00 0.00 H new ATOM 0 HG23 THR B 34 9.762 2.554 21.913 1.00 0.00 H new ATOM 1589 N THR B 35 13.011 2.943 20.555 1.00 0.00 N ATOM 1590 CA THR B 35 14.026 2.239 19.739 1.00 0.00 C ATOM 1591 C THR B 35 13.597 0.832 19.317 1.00 0.00 C ATOM 1592 O THR B 35 12.625 0.270 19.825 1.00 0.00 O ATOM 1593 CB THR B 35 15.386 2.168 20.457 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.325 1.250 21.526 1.00 0.00 O ATOM 1595 CG2 THR B 35 15.863 3.522 20.993 1.00 0.00 C ATOM 0 H THR B 35 12.894 2.539 21.484 1.00 0.00 H new ATOM 0 HA THR B 35 14.127 2.837 18.833 1.00 0.00 H new ATOM 0 HB THR B 35 16.106 1.842 19.707 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.196 1.212 21.974 1.00 0.00 H new ATOM 0 HG21 THR B 35 16.827 3.399 21.487 1.00 0.00 H new ATOM 0 HG22 THR B 35 15.966 4.225 20.166 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.136 3.907 21.708 1.00 0.00 H new ATOM 1603 N LEU B 36 14.363 0.236 18.398 1.00 0.00 N ATOM 1604 CA LEU B 36 14.201 -1.150 17.922 1.00 0.00 C ATOM 1605 C LEU B 36 14.237 -2.236 19.018 1.00 0.00 C ATOM 1606 O LEU B 36 13.763 -3.356 18.793 1.00 0.00 O ATOM 1607 CB LEU B 36 15.264 -1.434 16.840 1.00 0.00 C ATOM 1608 CG LEU B 36 16.704 -1.736 17.317 1.00 0.00 C ATOM 1609 CD1 LEU B 36 17.580 -2.050 16.103 1.00 0.00 C ATOM 1610 CD2 LEU B 36 17.356 -0.574 18.071 1.00 0.00 C ATOM 0 H LEU B 36 15.141 0.718 17.947 1.00 0.00 H new ATOM 0 HA LEU B 36 13.192 -1.214 17.515 1.00 0.00 H new ATOM 0 HB2 LEU B 36 14.922 -2.281 16.246 1.00 0.00 H new ATOM 0 HB3 LEU B 36 15.304 -0.573 16.173 1.00 0.00 H new ATOM 0 HG LEU B 36 16.628 -2.579 18.003 1.00 0.00 H new ATOM 0 HD11 LEU B 36 18.597 -2.264 16.433 1.00 0.00 H new ATOM 0 HD12 LEU B 36 17.179 -2.918 15.579 1.00 0.00 H new ATOM 0 HD13 LEU B 36 17.590 -1.193 15.430 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.364 -0.857 18.375 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.405 0.300 17.421 1.00 0.00 H new ATOM 0 HD23 LEU B 36 16.764 -0.336 18.955 1.00 0.00 H new ATOM 1622 N PHE B 37 14.779 -1.933 20.202 1.00 0.00 N ATOM 1623 CA PHE B 37 14.827 -2.831 21.367 1.00 0.00 C ATOM 1624 C PHE B 37 13.524 -2.824 22.194 1.00 0.00 C ATOM 1625 O PHE B 37 13.466 -3.473 23.239 1.00 0.00 O ATOM 1626 CB PHE B 37 16.042 -2.455 22.239 1.00 0.00 C ATOM 1627 CG PHE B 37 17.376 -2.439 21.503 1.00 0.00 C ATOM 1628 CD1 PHE B 37 18.201 -1.294 21.548 1.00 0.00 C ATOM 1629 CD2 PHE B 37 17.804 -3.575 20.789 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.442 -1.283 20.887 1.00 0.00 C ATOM 1631 CE2 PHE B 37 19.040 -3.556 20.109 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.859 -2.411 20.159 1.00 0.00 C ATOM 0 H PHE B 37 15.211 -1.027 20.385 1.00 0.00 H new ATOM 0 HA PHE B 37 14.933 -3.851 20.999 1.00 0.00 H new ATOM 0 HB2 PHE B 37 15.870 -1.469 22.672 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.109 -3.160 23.068 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.877 -0.420 22.094 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.186 -4.460 20.762 1.00 0.00 H new ATOM 0 HE1 PHE B 37 20.074 -0.409 20.939 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.359 -4.422 19.548 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.806 -2.400 19.639 1.00 0.00 H new ATOM 1642 N ASP B 38 12.499 -2.075 21.768 1.00 0.00 N ATOM 1643 CA ASP B 38 11.310 -1.704 22.556 1.00 0.00 C ATOM 1644 C ASP B 38 11.631 -0.883 23.829 1.00 0.00 C ATOM 1645 O ASP B 38 10.778 -0.727 24.708 1.00 0.00 O ATOM 1646 CB ASP B 38 10.390 -2.914 22.835 1.00 0.00 C ATOM 1647 CG ASP B 38 10.008 -3.739 21.594 1.00 0.00 C ATOM 1648 OD1 ASP B 38 9.778 -4.966 21.745 1.00 0.00 O ATOM 1649 OD2 ASP B 38 9.871 -3.175 20.478 1.00 0.00 O1- ATOM 0 H ASP B 38 12.472 -1.693 20.823 1.00 0.00 H new ATOM 0 HA ASP B 38 10.743 -1.021 21.923 1.00 0.00 H new ATOM 0 HB2 ASP B 38 10.885 -3.570 23.551 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.477 -2.555 23.310 1.00 0.00 H new ATOM 1654 N GLU B 39 12.849 -0.339 23.935 1.00 0.00 N ATOM 1655 CA GLU B 39 13.227 0.627 24.970 1.00 0.00 C ATOM 1656 C GLU B 39 12.673 2.026 24.673 1.00 0.00 C ATOM 1657 O GLU B 39 12.471 2.408 23.518 1.00 0.00 O ATOM 1658 CB GLU B 39 14.752 0.710 25.128 1.00 0.00 C ATOM 1659 CG GLU B 39 15.357 -0.560 25.739 1.00 0.00 C ATOM 1660 CD GLU B 39 16.886 -0.468 25.943 1.00 0.00 C ATOM 1661 OE1 GLU B 39 17.487 0.625 25.775 1.00 0.00 O ATOM 1662 OE2 GLU B 39 17.502 -1.504 26.300 1.00 0.00 O1- ATOM 0 H GLU B 39 13.610 -0.562 23.294 1.00 0.00 H new ATOM 0 HA GLU B 39 12.790 0.268 25.902 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.204 0.889 24.153 1.00 0.00 H new ATOM 0 HB3 GLU B 39 15.001 1.565 25.757 1.00 0.00 H new ATOM 0 HG2 GLU B 39 14.880 -0.756 26.699 1.00 0.00 H new ATOM 0 HG3 GLU B 39 15.134 -1.409 25.092 1.00 0.00 H new ATOM 1669 N GLU B 40 12.484 2.809 25.737 1.00 0.00 N ATOM 1670 CA GLU B 40 12.105 4.221 25.674 1.00 0.00 C ATOM 1671 C GLU B 40 12.985 5.085 26.586 1.00 0.00 C ATOM 1672 O GLU B 40 13.395 4.649 27.667 1.00 0.00 O ATOM 1673 CB GLU B 40 10.621 4.423 26.035 1.00 0.00 C ATOM 1674 CG GLU B 40 9.657 3.786 25.022 1.00 0.00 C ATOM 1675 CD GLU B 40 8.181 3.964 25.419 1.00 0.00 C ATOM 1676 OE1 GLU B 40 7.364 3.048 25.151 1.00 0.00 O ATOM 1677 OE2 GLU B 40 7.814 5.017 25.995 1.00 0.00 O1- ATOM 0 H GLU B 40 12.593 2.469 26.692 1.00 0.00 H new ATOM 0 HA GLU B 40 12.259 4.541 24.643 1.00 0.00 H new ATOM 0 HB2 GLU B 40 10.433 3.999 27.021 1.00 0.00 H new ATOM 0 HB3 GLU B 40 10.413 5.491 26.102 1.00 0.00 H new ATOM 0 HG2 GLU B 40 9.822 4.230 24.040 1.00 0.00 H new ATOM 0 HG3 GLU B 40 9.880 2.723 24.932 1.00 0.00 H new ATOM 1684 N HIS B 41 13.244 6.321 26.151 1.00 0.00 N ATOM 1685 CA HIS B 41 14.081 7.316 26.843 1.00 0.00 C ATOM 1686 C HIS B 41 13.443 8.710 26.774 1.00 0.00 C ATOM 1687 O HIS B 41 12.654 8.987 25.871 1.00 0.00 O ATOM 1688 CB HIS B 41 15.514 7.314 26.272 1.00 0.00 C ATOM 1689 CG HIS B 41 16.213 5.976 26.368 1.00 0.00 C ATOM 1690 ND1 HIS B 41 16.884 5.496 27.496 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.262 5.020 25.392 1.00 0.00 C ATOM 1692 CE1 HIS B 41 17.319 4.266 27.175 1.00 0.00 C ATOM 1693 NE2 HIS B 41 16.954 3.951 25.920 1.00 0.00 N ATOM 0 H HIS B 41 12.863 6.674 25.273 1.00 0.00 H new ATOM 0 HA HIS B 41 14.146 7.041 27.896 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.478 7.619 25.226 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.106 8.060 26.801 1.00 0.00 H new ATOM 0 HD2 HIS B 41 15.840 5.089 24.400 1.00 0.00 H new ATOM 0 HE1 HIS B 41 17.883 3.621 27.833 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.154 3.073 25.441 1.00 0.00 H new ATOM 1701 N ALA B 42 13.760 9.581 27.741 1.00 0.00 N ATOM 1702 CA ALA B 42 13.100 10.882 27.922 1.00 0.00 C ATOM 1703 C ALA B 42 14.077 12.010 28.320 1.00 0.00 C ATOM 1704 O ALA B 42 15.015 11.784 29.088 1.00 0.00 O ATOM 1705 CB ALA B 42 11.978 10.730 28.961 1.00 0.00 C ATOM 0 H ALA B 42 14.491 9.400 28.429 1.00 0.00 H new ATOM 0 HA ALA B 42 12.683 11.183 26.961 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.481 11.690 29.103 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.254 9.995 28.610 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.402 10.397 29.908 1.00 0.00 H new ATOM 1711 N PHE B 43 13.827 13.227 27.821 1.00 0.00 N ATOM 1712 CA PHE B 43 14.724 14.387 27.906 1.00 0.00 C ATOM 1713 C PHE B 43 13.912 15.679 28.142 1.00 0.00 C ATOM 1714 O PHE B 43 13.415 16.287 27.183 1.00 0.00 O ATOM 1715 CB PHE B 43 15.575 14.449 26.624 1.00 0.00 C ATOM 1716 CG PHE B 43 16.404 13.195 26.386 1.00 0.00 C ATOM 1717 CD1 PHE B 43 15.923 12.182 25.531 1.00 0.00 C ATOM 1718 CD2 PHE B 43 17.617 13.013 27.076 1.00 0.00 C ATOM 1719 CE1 PHE B 43 16.631 10.976 25.403 1.00 0.00 C ATOM 1720 CE2 PHE B 43 18.328 11.812 26.933 1.00 0.00 C ATOM 1721 CZ PHE B 43 17.831 10.788 26.111 1.00 0.00 C ATOM 0 H PHE B 43 12.960 13.439 27.327 1.00 0.00 H new ATOM 0 HA PHE B 43 15.398 14.286 28.757 1.00 0.00 H new ATOM 0 HB2 PHE B 43 14.919 14.609 25.769 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.241 15.310 26.680 1.00 0.00 H new ATOM 0 HD1 PHE B 43 15.010 12.334 24.975 1.00 0.00 H new ATOM 0 HD2 PHE B 43 18.000 13.796 27.714 1.00 0.00 H new ATOM 0 HE1 PHE B 43 16.254 10.194 24.761 1.00 0.00 H new ATOM 0 HE2 PHE B 43 19.262 11.675 27.458 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.370 9.856 26.023 1.00 0.00 H new ATOM 1731 N PRO B 44 13.728 16.104 29.411 1.00 0.00 N ATOM 1732 CA PRO B 44 12.980 17.315 29.764 1.00 0.00 C ATOM 1733 C PRO B 44 13.598 18.612 29.223 1.00 0.00 C ATOM 1734 O PRO B 44 14.819 18.739 29.087 1.00 0.00 O ATOM 1735 CB PRO B 44 12.887 17.333 31.293 1.00 0.00 C ATOM 1736 CG PRO B 44 13.022 15.859 31.666 1.00 0.00 C ATOM 1737 CD PRO B 44 14.012 15.344 30.623 1.00 0.00 C ATOM 0 HA PRO B 44 11.996 17.279 29.296 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.679 17.935 31.738 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.939 17.750 31.634 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.398 15.730 32.681 1.00 0.00 H new ATOM 0 HG3 PRO B 44 12.067 15.337 31.611 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.041 15.495 30.950 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.885 14.275 30.455 1.00 0.00 H new ATOM 1745 N GLY B 45 12.739 19.597 28.944 1.00 0.00 N ATOM 1746 CA GLY B 45 13.117 20.938 28.480 1.00 0.00 C ATOM 1747 C GLY B 45 13.426 21.039 26.978 1.00 0.00 C ATOM 1748 O GLY B 45 13.829 22.107 26.520 1.00 0.00 O ATOM 0 H GLY B 45 11.730 19.481 29.037 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.309 21.630 28.717 1.00 0.00 H new ATOM 0 HA3 GLY B 45 13.993 21.267 29.039 1.00 0.00 H new ATOM 1752 N LEU B 46 13.250 19.956 26.210 1.00 0.00 N ATOM 1753 CA LEU B 46 13.512 19.896 24.766 1.00 0.00 C ATOM 1754 C LEU B 46 12.237 19.862 23.903 1.00 0.00 C ATOM 1755 O LEU B 46 11.158 19.478 24.359 1.00 0.00 O ATOM 1756 CB LEU B 46 14.405 18.686 24.432 1.00 0.00 C ATOM 1757 CG LEU B 46 15.769 18.621 25.144 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.567 17.443 24.593 1.00 0.00 C ATOM 1759 CD2 LEU B 46 16.616 19.880 24.947 1.00 0.00 C ATOM 0 H LEU B 46 12.911 19.071 26.587 1.00 0.00 H new ATOM 0 HA LEU B 46 14.028 20.823 24.517 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.852 17.778 24.671 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.581 18.679 23.356 1.00 0.00 H new ATOM 0 HG LEU B 46 15.556 18.517 26.208 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.534 17.392 25.094 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.018 16.518 24.769 1.00 0.00 H new ATOM 0 HD13 LEU B 46 16.720 17.576 23.522 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.563 19.768 25.475 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.808 20.027 23.884 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.081 20.744 25.342 1.00 0.00 H new ATOM 1771 N ALA B 47 12.412 20.215 22.630 1.00 0.00 N ATOM 1772 CA ALA B 47 11.494 20.002 21.509 1.00 0.00 C ATOM 1773 C ALA B 47 12.293 19.609 20.242 1.00 0.00 C ATOM 1774 O ALA B 47 13.507 19.818 20.176 1.00 0.00 O ATOM 1775 CB ALA B 47 10.657 21.269 21.303 1.00 0.00 C ATOM 0 H ALA B 47 13.262 20.693 22.332 1.00 0.00 H new ATOM 0 HA ALA B 47 10.811 19.180 21.723 1.00 0.00 H new ATOM 0 HB1 ALA B 47 9.970 21.120 20.470 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.089 21.481 22.209 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.316 22.109 21.084 1.00 0.00 H new ATOM 1781 N ILE B 48 11.629 19.039 19.231 1.00 0.00 N ATOM 1782 CA ILE B 48 12.278 18.696 17.953 1.00 0.00 C ATOM 1783 C ILE B 48 12.533 19.989 17.157 1.00 0.00 C ATOM 1784 O ILE B 48 11.608 20.775 16.924 1.00 0.00 O ATOM 1785 CB ILE B 48 11.453 17.664 17.152 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.208 16.350 17.938 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.156 17.338 15.817 1.00 0.00 C ATOM 1788 CD1 ILE B 48 9.961 15.604 17.452 1.00 0.00 C ATOM 0 H ILE B 48 10.637 18.803 19.270 1.00 0.00 H new ATOM 0 HA ILE B 48 13.236 18.217 18.152 1.00 0.00 H new ATOM 0 HB ILE B 48 10.481 18.121 16.964 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.078 15.702 17.837 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.102 16.578 18.998 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.564 16.610 15.263 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.256 18.249 15.227 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.145 16.925 16.018 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.833 14.691 18.034 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.085 16.240 17.577 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.077 15.350 16.398 1.00 0.00 H new ATOM 1800 N GLY B 49 13.787 20.222 16.751 1.00 0.00 N ATOM 1801 CA GLY B 49 14.242 21.489 16.159 1.00 0.00 C ATOM 1802 C GLY B 49 14.545 21.438 14.658 1.00 0.00 C ATOM 1803 O GLY B 49 14.316 22.427 13.960 1.00 0.00 O ATOM 0 H GLY B 49 14.528 19.525 16.825 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.479 22.247 16.333 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.140 21.814 16.684 1.00 0.00 H new ATOM 1807 N ARG B 50 15.056 20.312 14.152 1.00 0.00 N ATOM 1808 CA ARG B 50 15.444 20.138 12.739 1.00 0.00 C ATOM 1809 C ARG B 50 15.464 18.661 12.342 1.00 0.00 C ATOM 1810 O ARG B 50 15.768 17.799 13.163 1.00 0.00 O ATOM 1811 CB ARG B 50 16.799 20.846 12.507 1.00 0.00 C ATOM 1812 CG ARG B 50 17.486 20.559 11.164 1.00 0.00 C ATOM 1813 CD ARG B 50 18.743 21.427 11.023 1.00 0.00 C ATOM 1814 NE ARG B 50 19.536 21.017 9.850 1.00 0.00 N ATOM 1815 CZ ARG B 50 20.678 21.526 9.439 1.00 0.00 C ATOM 1816 NH1 ARG B 50 21.198 22.595 9.975 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 21.338 20.949 8.479 1.00 0.00 N ATOM 0 H ARG B 50 15.217 19.479 14.718 1.00 0.00 H new ATOM 0 HA ARG B 50 14.701 20.600 12.089 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.644 21.922 12.591 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.479 20.559 13.309 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.753 19.504 11.101 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.799 20.764 10.343 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.458 22.474 10.926 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.350 21.344 11.924 1.00 0.00 H new ATOM 0 HE ARG B 50 19.156 20.251 9.293 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.717 23.067 10.741 1.00 0.00 H new ATOM 0 HH12 ARG B 50 22.086 22.959 9.628 1.00 0.00 H new ATOM 0 HH21 ARG B 50 20.971 20.102 8.045 1.00 0.00 H new ATOM 0 HH22 ARG B 50 22.223 21.343 8.160 1.00 0.00 H new ATOM 1831 N VAL B 51 15.165 18.374 11.072 1.00 0.00 N ATOM 1832 CA VAL B 51 15.194 17.028 10.470 1.00 0.00 C ATOM 1833 C VAL B 51 15.815 17.092 9.070 1.00 0.00 C ATOM 1834 O VAL B 51 15.301 17.798 8.201 1.00 0.00 O ATOM 1835 CB VAL B 51 13.784 16.402 10.399 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.855 14.956 9.894 1.00 0.00 C ATOM 1837 CG2 VAL B 51 13.056 16.392 11.752 1.00 0.00 C ATOM 0 H VAL B 51 14.885 19.095 10.407 1.00 0.00 H new ATOM 0 HA VAL B 51 15.806 16.391 11.109 1.00 0.00 H new ATOM 0 HB VAL B 51 13.223 17.031 9.708 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.850 14.535 9.852 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.297 14.940 8.898 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.468 14.363 10.573 1.00 0.00 H new ATOM 0 HG21 VAL B 51 12.072 15.939 11.632 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.636 15.815 12.473 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.944 17.415 12.112 1.00 0.00 H new ATOM 1847 N ASP B 52 16.892 16.341 8.844 1.00 0.00 N ATOM 1848 CA ASP B 52 17.577 16.233 7.545 1.00 0.00 C ATOM 1849 C ASP B 52 17.347 14.843 6.935 1.00 0.00 C ATOM 1850 O ASP B 52 17.985 13.863 7.332 1.00 0.00 O ATOM 1851 CB ASP B 52 19.088 16.513 7.686 1.00 0.00 C ATOM 1852 CG ASP B 52 19.469 17.963 8.031 1.00 0.00 C ATOM 1853 OD1 ASP B 52 18.609 18.798 8.374 1.00 0.00 O ATOM 1854 OD2 ASP B 52 20.674 18.296 7.939 1.00 0.00 O1- ATOM 0 H ASP B 52 17.327 15.775 9.573 1.00 0.00 H new ATOM 0 HA ASP B 52 17.156 16.986 6.878 1.00 0.00 H new ATOM 0 HB2 ASP B 52 19.490 15.858 8.459 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.578 16.241 6.751 1.00 0.00 H new ATOM 1859 N LEU B 53 16.452 14.744 5.949 1.00 0.00 N ATOM 1860 CA LEU B 53 16.109 13.473 5.298 1.00 0.00 C ATOM 1861 C LEU B 53 17.204 12.990 4.333 1.00 0.00 C ATOM 1862 O LEU B 53 17.270 11.799 4.021 1.00 0.00 O ATOM 1863 CB LEU B 53 14.742 13.576 4.587 1.00 0.00 C ATOM 1864 CG LEU B 53 13.498 13.848 5.458 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.445 12.937 6.686 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.346 15.308 5.896 1.00 0.00 C ATOM 0 H LEU B 53 15.942 15.545 5.577 1.00 0.00 H new ATOM 0 HA LEU B 53 16.035 12.721 6.083 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.810 14.370 3.843 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.575 12.645 4.045 1.00 0.00 H new ATOM 0 HG LEU B 53 12.657 13.621 4.803 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.553 13.164 7.269 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.414 11.896 6.365 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.331 13.101 7.299 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.448 15.414 6.504 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.217 15.605 6.481 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.265 15.945 5.016 1.00 0.00 H new ATOM 1878 N ARG B 54 18.106 13.891 3.907 1.00 0.00 N ATOM 1879 CA ARG B 54 19.330 13.568 3.144 1.00 0.00 C ATOM 1880 C ARG B 54 20.341 12.728 3.945 1.00 0.00 C ATOM 1881 O ARG B 54 21.151 12.021 3.342 1.00 0.00 O ATOM 1882 CB ARG B 54 19.987 14.873 2.661 1.00 0.00 C ATOM 1883 CG ARG B 54 19.108 15.632 1.647 1.00 0.00 C ATOM 1884 CD ARG B 54 19.785 16.909 1.125 1.00 0.00 C ATOM 1885 NE ARG B 54 20.978 16.615 0.302 1.00 0.00 N ATOM 1886 CZ ARG B 54 21.893 17.478 -0.113 1.00 0.00 C ATOM 1887 NH1 ARG B 54 21.837 18.746 0.185 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 22.900 17.082 -0.843 1.00 0.00 N ATOM 0 H ARG B 54 18.004 14.890 4.087 1.00 0.00 H new ATOM 0 HA ARG B 54 19.029 12.955 2.294 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.186 15.516 3.519 1.00 0.00 H new ATOM 0 HB3 ARG B 54 20.950 14.645 2.204 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.878 14.976 0.807 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.159 15.893 2.116 1.00 0.00 H new ATOM 0 HD2 ARG B 54 19.070 17.481 0.533 1.00 0.00 H new ATOM 0 HD3 ARG B 54 20.074 17.536 1.969 1.00 0.00 H new ATOM 0 HE ARG B 54 21.110 15.643 0.024 1.00 0.00 H new ATOM 0 HH11 ARG B 54 21.070 19.102 0.756 1.00 0.00 H new ATOM 0 HH12 ARG B 54 22.560 19.382 -0.152 1.00 0.00 H new ATOM 0 HH21 ARG B 54 22.988 16.099 -1.100 1.00 0.00 H new ATOM 0 HH22 ARG B 54 23.599 17.756 -1.157 1.00 0.00 H new ATOM 1902 N SER B 55 20.281 12.782 5.280 1.00 0.00 N ATOM 1903 CA SER B 55 21.203 12.084 6.202 1.00 0.00 C ATOM 1904 C SER B 55 20.504 11.138 7.199 1.00 0.00 C ATOM 1905 O SER B 55 21.165 10.275 7.785 1.00 0.00 O ATOM 1906 CB SER B 55 22.045 13.109 6.979 1.00 0.00 C ATOM 1907 OG SER B 55 22.791 13.938 6.098 1.00 0.00 O ATOM 0 H SER B 55 19.571 13.327 5.770 1.00 0.00 H new ATOM 0 HA SER B 55 21.834 11.458 5.571 1.00 0.00 H new ATOM 0 HB2 SER B 55 21.392 13.726 7.597 1.00 0.00 H new ATOM 0 HB3 SER B 55 22.724 12.588 7.654 1.00 0.00 H new ATOM 0 HG SER B 55 23.315 14.581 6.619 1.00 0.00 H new ATOM 1913 N GLY B 56 19.191 11.284 7.416 1.00 0.00 N ATOM 1914 CA GLY B 56 18.417 10.513 8.396 1.00 0.00 C ATOM 1915 C GLY B 56 18.663 10.939 9.852 1.00 0.00 C ATOM 1916 O GLY B 56 18.624 10.091 10.750 1.00 0.00 O ATOM 0 H GLY B 56 18.624 11.958 6.902 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.356 10.618 8.171 1.00 0.00 H new ATOM 0 HA3 GLY B 56 18.663 9.456 8.290 1.00 0.00 H new ATOM 1920 N VAL B 57 18.961 12.222 10.092 1.00 0.00 N ATOM 1921 CA VAL B 57 19.315 12.769 11.419 1.00 0.00 C ATOM 1922 C VAL B 57 18.298 13.820 11.889 1.00 0.00 C ATOM 1923 O VAL B 57 17.875 14.694 11.127 1.00 0.00 O ATOM 1924 CB VAL B 57 20.756 13.327 11.461 1.00 0.00 C ATOM 1925 CG1 VAL B 57 21.190 13.676 12.896 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.788 12.329 10.921 1.00 0.00 C ATOM 0 H VAL B 57 18.964 12.929 9.357 1.00 0.00 H new ATOM 0 HA VAL B 57 19.277 11.933 12.118 1.00 0.00 H new ATOM 0 HB VAL B 57 20.730 14.218 10.833 1.00 0.00 H new ATOM 0 HG11 VAL B 57 22.208 14.065 12.884 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.518 14.430 13.306 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.151 12.780 13.516 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.783 12.771 10.973 1.00 0.00 H new ATOM 0 HG22 VAL B 57 21.763 11.419 11.521 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.552 12.087 9.885 1.00 0.00 H new ATOM 1936 N ILE B 58 17.916 13.723 13.161 1.00 0.00 N ATOM 1937 CA ILE B 58 16.919 14.542 13.864 1.00 0.00 C ATOM 1938 C ILE B 58 17.624 15.304 15.004 1.00 0.00 C ATOM 1939 O ILE B 58 18.187 14.687 15.906 1.00 0.00 O ATOM 1940 CB ILE B 58 15.798 13.616 14.391 1.00 0.00 C ATOM 1941 CG1 ILE B 58 15.005 12.985 13.224 1.00 0.00 C ATOM 1942 CG2 ILE B 58 14.869 14.339 15.382 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.062 11.842 13.608 1.00 0.00 C ATOM 0 H ILE B 58 18.323 13.019 13.777 1.00 0.00 H new ATOM 0 HA ILE B 58 16.464 15.275 13.198 1.00 0.00 H new ATOM 0 HB ILE B 58 16.278 12.808 14.944 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.421 13.768 12.740 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.715 12.614 12.485 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.097 13.650 15.726 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.449 14.689 16.236 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.401 15.190 14.887 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.556 11.472 12.716 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.636 11.034 14.061 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.322 12.205 14.321 1.00 0.00 H new ATOM 1955 N SER B 59 17.609 16.636 14.971 1.00 0.00 N ATOM 1956 CA SER B 59 18.235 17.505 15.976 1.00 0.00 C ATOM 1957 C SER B 59 17.189 18.098 16.925 1.00 0.00 C ATOM 1958 O SER B 59 16.174 18.649 16.480 1.00 0.00 O ATOM 1959 CB SER B 59 19.011 18.648 15.310 1.00 0.00 C ATOM 1960 OG SER B 59 19.942 18.173 14.344 1.00 0.00 O ATOM 0 H SER B 59 17.149 17.158 14.225 1.00 0.00 H new ATOM 0 HA SER B 59 18.926 16.886 16.548 1.00 0.00 H new ATOM 0 HB2 SER B 59 18.309 19.331 14.831 1.00 0.00 H new ATOM 0 HB3 SER B 59 19.541 19.219 16.073 1.00 0.00 H new ATOM 0 HG SER B 59 20.413 18.933 13.943 1.00 0.00 H new ATOM 1966 N LEU B 60 17.435 18.016 18.232 1.00 0.00 N ATOM 1967 CA LEU B 60 16.597 18.620 19.280 1.00 0.00 C ATOM 1968 C LEU B 60 17.133 19.997 19.724 1.00 0.00 C ATOM 1969 O LEU B 60 18.339 20.264 19.658 1.00 0.00 O ATOM 1970 CB LEU B 60 16.453 17.660 20.472 1.00 0.00 C ATOM 1971 CG LEU B 60 16.083 16.200 20.132 1.00 0.00 C ATOM 1972 CD1 LEU B 60 15.846 15.430 21.434 1.00 0.00 C ATOM 1973 CD2 LEU B 60 14.817 16.091 19.279 1.00 0.00 C ATOM 0 H LEU B 60 18.242 17.516 18.606 1.00 0.00 H new ATOM 0 HA LEU B 60 15.607 18.791 18.858 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.393 17.655 21.023 1.00 0.00 H new ATOM 0 HB3 LEU B 60 15.692 18.059 21.143 1.00 0.00 H new ATOM 0 HG LEU B 60 16.912 15.785 19.559 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.584 14.397 21.203 1.00 0.00 H new ATOM 0 HD12 LEU B 60 16.753 15.448 22.038 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.032 15.896 21.989 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.607 15.042 19.072 1.00 0.00 H new ATOM 0 HD22 LEU B 60 13.977 16.530 19.817 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.964 16.624 18.340 1.00 0.00 H new ATOM 1985 N ILE B 61 16.236 20.851 20.219 1.00 0.00 N ATOM 1986 CA ILE B 61 16.498 22.213 20.734 1.00 0.00 C ATOM 1987 C ILE B 61 15.754 22.455 22.057 1.00 0.00 C ATOM 1988 O ILE B 61 14.810 21.734 22.381 1.00 0.00 O ATOM 1989 CB ILE B 61 16.165 23.294 19.678 1.00 0.00 C ATOM 1990 CG1 ILE B 61 14.730 23.254 19.094 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.181 23.227 18.525 1.00 0.00 C ATOM 1992 CD1 ILE B 61 13.641 23.925 19.943 1.00 0.00 C ATOM 0 H ILE B 61 15.248 20.605 20.279 1.00 0.00 H new ATOM 0 HA ILE B 61 17.565 22.292 20.941 1.00 0.00 H new ATOM 0 HB ILE B 61 16.227 24.236 20.223 1.00 0.00 H new ATOM 0 HG12 ILE B 61 14.744 23.730 18.114 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.451 22.212 18.938 1.00 0.00 H new ATOM 0 HG21 ILE B 61 16.942 23.990 17.784 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.184 23.400 18.914 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.138 22.243 18.059 1.00 0.00 H new ATOM 0 HD11 ILE B 61 12.679 23.836 19.438 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.586 23.437 20.916 1.00 0.00 H new ATOM 0 HD13 ILE B 61 13.884 24.979 20.079 1.00 0.00 H new ATOM 2004 N GLU B 62 16.163 23.462 22.834 1.00 0.00 N ATOM 2005 CA GLU B 62 15.465 23.848 24.076 1.00 0.00 C ATOM 2006 C GLU B 62 14.087 24.469 23.772 1.00 0.00 C ATOM 2007 O GLU B 62 13.967 25.335 22.904 1.00 0.00 O ATOM 2008 CB GLU B 62 16.334 24.792 24.922 1.00 0.00 C ATOM 2009 CG GLU B 62 17.595 24.091 25.453 1.00 0.00 C ATOM 2010 CD GLU B 62 18.359 24.949 26.481 1.00 0.00 C ATOM 2011 OE1 GLU B 62 18.722 24.426 27.566 1.00 0.00 O ATOM 2012 OE2 GLU B 62 18.622 26.147 26.218 1.00 0.00 O1- ATOM 0 H GLU B 62 16.982 24.033 22.626 1.00 0.00 H new ATOM 0 HA GLU B 62 15.292 22.944 24.660 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.624 25.654 24.321 1.00 0.00 H new ATOM 0 HB3 GLU B 62 15.749 25.170 25.760 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.314 23.144 25.913 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.255 23.856 24.618 1.00 0.00 H new ATOM 2019 N GLU B 63 13.040 24.020 24.474 1.00 0.00 N ATOM 2020 CA GLU B 63 11.632 24.251 24.096 1.00 0.00 C ATOM 2021 C GLU B 63 11.139 25.700 24.287 1.00 0.00 C ATOM 2022 O GLU B 63 10.205 26.121 23.597 1.00 0.00 O ATOM 2023 CB GLU B 63 10.737 23.229 24.819 1.00 0.00 C ATOM 2024 CG GLU B 63 10.678 23.331 26.357 1.00 0.00 C ATOM 2025 CD GLU B 63 9.540 24.213 26.899 1.00 0.00 C ATOM 2026 OE1 GLU B 63 8.390 24.122 26.407 1.00 0.00 O ATOM 2027 OE2 GLU B 63 9.779 24.981 27.863 1.00 0.00 O1- ATOM 0 H GLU B 63 13.143 23.479 25.332 1.00 0.00 H new ATOM 0 HA GLU B 63 11.565 24.100 23.019 1.00 0.00 H new ATOM 0 HB2 GLU B 63 9.723 23.329 24.431 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.081 22.229 24.557 1.00 0.00 H new ATOM 0 HG2 GLU B 63 10.571 22.328 26.770 1.00 0.00 H new ATOM 0 HG3 GLU B 63 11.628 23.725 26.718 1.00 0.00 H new