USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 CYS SG : rot 180:sc= -0.219 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 1.31 (180deg=1.23) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0436 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 80:sc= 0.761 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.15) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot -63:sc= 0.0279 USER MOD Single : B 41 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 2 5.196 11.459 0.238 1.00 0.00 N ATOM 60 CA CYS A 2 4.589 12.789 0.389 1.00 0.00 C ATOM 61 C CYS A 2 5.624 13.873 0.003 1.00 0.00 C ATOM 62 O CYS A 2 6.823 13.593 -0.078 1.00 0.00 O ATOM 63 CB CYS A 2 4.076 12.958 1.830 1.00 0.00 C ATOM 64 SG CYS A 2 3.147 14.485 2.158 1.00 0.00 S ATOM 0 HA CYS A 2 3.734 12.897 -0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.439 12.107 2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.929 12.920 2.507 1.00 0.00 H new ATOM 0 HG CYS A 2 2.770 14.505 3.402 1.00 0.00 H new ATOM 69 N MET A 3 5.185 15.113 -0.233 1.00 0.00 N ATOM 70 CA MET A 3 6.044 16.291 -0.445 1.00 0.00 C ATOM 71 C MET A 3 5.376 17.558 0.106 1.00 0.00 C ATOM 72 O MET A 3 4.152 17.601 0.269 1.00 0.00 O ATOM 73 CB MET A 3 6.436 16.436 -1.927 1.00 0.00 C ATOM 74 CG MET A 3 5.261 16.766 -2.854 1.00 0.00 C ATOM 75 SD MET A 3 5.758 16.968 -4.587 1.00 0.00 S ATOM 76 CE MET A 3 4.152 17.433 -5.296 1.00 0.00 C ATOM 0 H MET A 3 4.191 15.336 -0.284 1.00 0.00 H new ATOM 0 HA MET A 3 6.970 16.145 0.112 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.188 17.220 -2.018 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.900 15.508 -2.262 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.518 15.972 -2.786 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.781 17.682 -2.511 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.262 17.600 -6.368 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.433 16.632 -5.125 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.796 18.347 -4.821 1.00 0.00 H new ATOM 86 N ALA A 4 6.181 18.577 0.407 1.00 0.00 N ATOM 87 CA ALA A 4 5.768 19.802 1.095 1.00 0.00 C ATOM 88 C ALA A 4 6.226 21.077 0.356 1.00 0.00 C ATOM 89 O ALA A 4 6.836 21.007 -0.720 1.00 0.00 O ATOM 90 CB ALA A 4 6.321 19.730 2.529 1.00 0.00 C ATOM 0 H ALA A 4 7.173 18.573 0.171 1.00 0.00 H new ATOM 0 HA ALA A 4 4.680 19.868 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.033 20.628 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.914 18.853 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.408 19.658 2.497 1.00 0.00 H new ATOM 96 N LYS A 5 5.962 22.239 0.953 1.00 0.00 N ATOM 97 CA LYS A 5 6.565 23.526 0.571 1.00 0.00 C ATOM 98 C LYS A 5 7.212 24.227 1.770 1.00 0.00 C ATOM 99 O LYS A 5 6.679 24.193 2.879 1.00 0.00 O ATOM 100 CB LYS A 5 5.546 24.411 -0.179 1.00 0.00 C ATOM 101 CG LYS A 5 4.299 24.754 0.646 1.00 0.00 C ATOM 102 CD LYS A 5 3.309 25.646 -0.120 1.00 0.00 C ATOM 103 CE LYS A 5 3.845 27.074 -0.291 1.00 0.00 C ATOM 104 NZ LYS A 5 2.913 27.928 -1.066 1.00 0.00 N1+ ATOM 0 H LYS A 5 5.310 22.319 1.733 1.00 0.00 H new ATOM 0 HA LYS A 5 7.378 23.330 -0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.036 25.336 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.238 23.901 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.798 23.832 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.602 25.259 1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.111 25.212 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.359 25.676 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.013 27.518 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.811 27.041 -0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.363 28.845 -1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.679 27.460 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.042 28.079 -0.517 1.00 0.00 H new ATOM 118 N VAL A 6 8.359 24.865 1.552 1.00 0.00 N ATOM 119 CA VAL A 6 9.062 25.677 2.565 1.00 0.00 C ATOM 120 C VAL A 6 8.659 27.145 2.422 1.00 0.00 C ATOM 121 O VAL A 6 8.486 27.629 1.300 1.00 0.00 O ATOM 122 CB VAL A 6 10.587 25.476 2.469 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.401 26.518 3.253 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.959 24.096 3.024 1.00 0.00 C ATOM 0 H VAL A 6 8.842 24.837 0.654 1.00 0.00 H new ATOM 0 HA VAL A 6 8.767 25.346 3.561 1.00 0.00 H new ATOM 0 HB VAL A 6 10.833 25.580 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.465 26.311 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.182 27.515 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.134 26.469 4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.038 23.955 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.650 24.028 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.455 23.323 2.445 1.00 0.00 H new ATOM 134 N VAL A 7 8.552 27.864 3.549 1.00 0.00 N ATOM 135 CA VAL A 7 8.286 29.312 3.610 1.00 0.00 C ATOM 136 C VAL A 7 9.189 30.030 4.622 1.00 0.00 C ATOM 137 O VAL A 7 9.439 29.531 5.727 1.00 0.00 O ATOM 138 CB VAL A 7 6.783 29.596 3.812 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.224 29.057 5.140 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.460 31.091 3.716 1.00 0.00 C ATOM 0 H VAL A 7 8.651 27.442 4.473 1.00 0.00 H new ATOM 0 HA VAL A 7 8.551 29.739 2.643 1.00 0.00 H new ATOM 0 HB VAL A 7 6.296 29.059 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.163 29.294 5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.357 27.976 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.755 29.518 5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.391 31.243 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.013 31.633 4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.746 31.463 2.732 1.00 0.00 H new ATOM 150 N LEU A 8 9.687 31.208 4.235 1.00 0.00 N ATOM 151 CA LEU A 8 10.533 32.113 5.028 1.00 0.00 C ATOM 152 C LEU A 8 10.331 33.574 4.576 1.00 0.00 C ATOM 153 O LEU A 8 9.774 33.824 3.506 1.00 0.00 O ATOM 154 CB LEU A 8 12.006 31.658 4.931 1.00 0.00 C ATOM 155 CG LEU A 8 12.649 31.811 3.531 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.498 33.085 3.409 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.568 30.628 3.226 1.00 0.00 C ATOM 0 H LEU A 8 9.501 31.580 3.304 1.00 0.00 H new ATOM 0 HA LEU A 8 10.243 32.069 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.595 32.229 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.067 30.612 5.230 1.00 0.00 H new ATOM 0 HG LEU A 8 11.818 31.860 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.925 33.143 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.871 33.959 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.301 33.059 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.009 30.756 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.360 30.580 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.991 29.704 3.249 1.00 0.00 H new ATOM 265 N VAL A 16 9.473 34.455 0.755 1.00 0.00 N ATOM 266 CA VAL A 16 10.138 33.502 -0.149 1.00 0.00 C ATOM 267 C VAL A 16 9.577 32.102 0.106 1.00 0.00 C ATOM 268 O VAL A 16 9.407 31.686 1.254 1.00 0.00 O ATOM 269 CB VAL A 16 11.665 33.547 0.039 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.409 32.471 -0.762 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.233 34.913 -0.369 1.00 0.00 C ATOM 0 HA VAL A 16 9.939 33.776 -1.185 1.00 0.00 H new ATOM 0 HB VAL A 16 11.825 33.361 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.481 32.560 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.070 31.484 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.206 32.603 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.314 34.915 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.006 35.103 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.784 35.692 0.246 1.00 0.00 H new ATOM 281 N GLU A 17 9.287 31.373 -0.970 1.00 0.00 N ATOM 282 CA GLU A 17 8.659 30.048 -0.938 1.00 0.00 C ATOM 283 C GLU A 17 9.331 29.072 -1.923 1.00 0.00 C ATOM 284 O GLU A 17 9.786 29.479 -2.997 1.00 0.00 O ATOM 285 CB GLU A 17 7.155 30.163 -1.248 1.00 0.00 C ATOM 286 CG GLU A 17 6.356 30.961 -0.202 1.00 0.00 C ATOM 287 CD GLU A 17 4.899 31.220 -0.627 1.00 0.00 C ATOM 288 OE1 GLU A 17 4.363 32.309 -0.304 1.00 0.00 O ATOM 289 OE2 GLU A 17 4.261 30.341 -1.256 1.00 0.00 O1- ATOM 0 H GLU A 17 9.487 31.695 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 17 8.790 29.646 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.031 30.636 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.733 29.161 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.362 30.418 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.852 31.915 -0.025 1.00 0.00 H new ATOM 296 N ILE A 18 9.381 27.782 -1.568 1.00 0.00 N ATOM 297 CA ILE A 18 9.948 26.695 -2.389 1.00 0.00 C ATOM 298 C ILE A 18 8.944 25.536 -2.439 1.00 0.00 C ATOM 299 O ILE A 18 8.566 25.014 -1.391 1.00 0.00 O ATOM 300 CB ILE A 18 11.314 26.221 -1.831 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.345 27.363 -1.716 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.903 25.089 -2.705 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.546 27.012 -0.830 1.00 0.00 C ATOM 0 H ILE A 18 9.018 27.451 -0.674 1.00 0.00 H new ATOM 0 HA ILE A 18 10.128 27.066 -3.398 1.00 0.00 H new ATOM 0 HB ILE A 18 11.116 25.850 -0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.702 27.622 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.852 28.248 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.862 24.773 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.216 24.243 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.047 25.452 -3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.231 27.859 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.200 26.781 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.062 26.146 -1.244 1.00 0.00 H new ATOM 315 N GLY A 19 8.514 25.134 -3.636 1.00 0.00 N ATOM 316 CA GLY A 19 7.572 24.029 -3.860 1.00 0.00 C ATOM 317 C GLY A 19 8.248 22.665 -4.089 1.00 0.00 C ATOM 318 O GLY A 19 9.453 22.580 -4.339 1.00 0.00 O ATOM 0 H GLY A 19 8.818 25.578 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.906 23.953 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.951 24.265 -4.724 1.00 0.00 H new ATOM 322 N ASP A 20 7.447 21.593 -4.020 1.00 0.00 N ATOM 323 CA ASP A 20 7.837 20.188 -4.265 1.00 0.00 C ATOM 324 C ASP A 20 9.040 19.718 -3.421 1.00 0.00 C ATOM 325 O ASP A 20 9.892 18.959 -3.879 1.00 0.00 O ATOM 326 CB ASP A 20 7.973 19.882 -5.773 1.00 0.00 C ATOM 327 CG ASP A 20 6.853 20.475 -6.654 1.00 0.00 C ATOM 328 OD1 ASP A 20 7.136 20.863 -7.814 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.674 20.541 -6.221 1.00 0.00 O1- ATOM 0 H ASP A 20 6.459 21.681 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 20 7.011 19.576 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.932 20.264 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.991 18.801 -5.910 1.00 0.00 H new ATOM 334 N VAL A 21 9.134 20.193 -2.178 1.00 0.00 N ATOM 335 CA VAL A 21 10.218 19.887 -1.235 1.00 0.00 C ATOM 336 C VAL A 21 10.106 18.451 -0.730 1.00 0.00 C ATOM 337 O VAL A 21 9.064 18.043 -0.216 1.00 0.00 O ATOM 338 CB VAL A 21 10.239 20.901 -0.071 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.314 20.551 0.956 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.513 22.315 -0.595 1.00 0.00 C ATOM 0 H VAL A 21 8.435 20.823 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 21 11.168 19.977 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 21 9.260 20.860 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.301 21.285 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.117 19.560 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.292 20.557 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.524 23.016 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.479 22.335 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.731 22.600 -1.298 1.00 0.00 H new ATOM 350 N LEU A 22 11.192 17.691 -0.870 1.00 0.00 N ATOM 351 CA LEU A 22 11.264 16.273 -0.516 1.00 0.00 C ATOM 352 C LEU A 22 12.094 16.016 0.758 1.00 0.00 C ATOM 353 O LEU A 22 11.867 15.018 1.445 1.00 0.00 O ATOM 354 CB LEU A 22 11.792 15.506 -1.743 1.00 0.00 C ATOM 355 CG LEU A 22 11.404 14.017 -1.739 1.00 0.00 C ATOM 356 CD1 LEU A 22 9.914 13.820 -2.028 1.00 0.00 C ATOM 357 CD2 LEU A 22 12.206 13.252 -2.789 1.00 0.00 C ATOM 0 H LEU A 22 12.069 18.054 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 22 10.269 15.909 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.406 15.973 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.878 15.592 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 22 11.626 13.634 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.679 12.756 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.325 14.330 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.676 14.234 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.918 12.201 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.003 13.668 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.270 13.341 -2.570 1.00 0.00 H new ATOM 369 N GLU A 23 12.991 16.932 1.126 1.00 0.00 N ATOM 370 CA GLU A 23 13.698 16.935 2.415 1.00 0.00 C ATOM 371 C GLU A 23 14.162 18.337 2.857 1.00 0.00 C ATOM 372 O GLU A 23 14.531 19.184 2.037 1.00 0.00 O ATOM 373 CB GLU A 23 14.883 15.949 2.404 1.00 0.00 C ATOM 374 CG GLU A 23 15.978 16.283 1.382 1.00 0.00 C ATOM 375 CD GLU A 23 17.085 15.216 1.326 1.00 0.00 C ATOM 376 OE1 GLU A 23 17.524 14.728 2.398 1.00 0.00 O ATOM 377 OE2 GLU A 23 17.548 14.873 0.213 1.00 0.00 O1- ATOM 0 H GLU A 23 13.255 17.712 0.524 1.00 0.00 H new ATOM 0 HA GLU A 23 12.969 16.603 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.328 15.924 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.505 14.948 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.528 16.386 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.421 17.247 1.632 1.00 0.00 H new ATOM 384 N VAL A 24 14.191 18.557 4.181 1.00 0.00 N ATOM 385 CA VAL A 24 14.674 19.783 4.853 1.00 0.00 C ATOM 386 C VAL A 24 15.550 19.412 6.050 1.00 0.00 C ATOM 387 O VAL A 24 15.232 18.478 6.790 1.00 0.00 O ATOM 388 CB VAL A 24 13.520 20.707 5.300 1.00 0.00 C ATOM 389 CG1 VAL A 24 14.017 22.034 5.885 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.592 21.052 4.137 1.00 0.00 C ATOM 0 H VAL A 24 13.865 17.856 4.846 1.00 0.00 H new ATOM 0 HA VAL A 24 15.264 20.340 4.125 1.00 0.00 H new ATOM 0 HB VAL A 24 12.989 20.142 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.163 22.643 6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.642 21.836 6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.599 22.567 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.793 21.703 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.159 21.563 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.161 20.137 3.731 1.00 0.00 H new ATOM 400 N ARG A 25 16.671 20.121 6.236 1.00 0.00 N ATOM 401 CA ARG A 25 17.707 19.804 7.235 1.00 0.00 C ATOM 402 C ARG A 25 18.224 21.055 7.939 1.00 0.00 C ATOM 403 O ARG A 25 18.460 22.079 7.292 1.00 0.00 O ATOM 404 CB ARG A 25 18.875 19.029 6.585 1.00 0.00 C ATOM 405 CG ARG A 25 18.471 17.743 5.839 1.00 0.00 C ATOM 406 CD ARG A 25 18.183 17.935 4.347 1.00 0.00 C ATOM 407 NE ARG A 25 19.429 18.173 3.591 1.00 0.00 N ATOM 408 CZ ARG A 25 19.548 18.777 2.424 1.00 0.00 C ATOM 409 NH1 ARG A 25 18.540 19.317 1.808 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 20.709 18.842 1.848 1.00 0.00 N ATOM 0 H ARG A 25 16.890 20.951 5.685 1.00 0.00 H new ATOM 0 HA ARG A 25 17.242 19.171 7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.385 19.691 5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.595 18.769 7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 25 19.269 17.008 5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.584 17.325 6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.679 17.052 3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.504 18.777 4.210 1.00 0.00 H new ATOM 0 HE ARG A 25 20.291 17.834 4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.610 19.284 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 25 18.678 19.774 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 25 21.525 18.427 2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.805 19.308 0.946 1.00 0.00 H new ATOM 424 N ALA A 26 18.431 20.965 9.250 1.00 0.00 N ATOM 425 CA ALA A 26 19.065 22.007 10.054 1.00 0.00 C ATOM 426 C ALA A 26 20.571 21.722 10.230 1.00 0.00 C ATOM 427 O ALA A 26 20.970 20.693 10.783 1.00 0.00 O ATOM 428 CB ALA A 26 18.332 22.112 11.395 1.00 0.00 C ATOM 0 H ALA A 26 18.157 20.148 9.795 1.00 0.00 H new ATOM 0 HA ALA A 26 18.991 22.968 9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.797 22.887 12.004 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.287 22.367 11.219 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.390 21.157 11.917 1.00 0.00 H new ATOM 434 N GLU A 27 21.411 22.651 9.773 1.00 0.00 N ATOM 435 CA GLU A 27 22.859 22.709 10.040 1.00 0.00 C ATOM 436 C GLU A 27 23.141 23.529 11.315 1.00 0.00 C ATOM 437 O GLU A 27 22.220 24.059 11.953 1.00 0.00 O ATOM 438 CB GLU A 27 23.575 23.332 8.825 1.00 0.00 C ATOM 439 CG GLU A 27 23.459 22.550 7.503 1.00 0.00 C ATOM 440 CD GLU A 27 24.395 21.328 7.395 1.00 0.00 C ATOM 441 OE1 GLU A 27 24.643 20.867 6.249 1.00 0.00 O ATOM 442 OE2 GLU A 27 24.893 20.814 8.429 1.00 0.00 O1- ATOM 0 H GLU A 27 21.093 23.419 9.181 1.00 0.00 H new ATOM 0 HA GLU A 27 23.237 21.699 10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.177 24.335 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.632 23.443 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.429 22.214 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 27 23.671 23.227 6.676 1.00 0.00 H new ATOM 449 N GLY A 28 24.417 23.685 11.683 1.00 0.00 N ATOM 450 CA GLY A 28 24.869 24.562 12.767 1.00 0.00 C ATOM 451 C GLY A 28 24.697 26.053 12.441 1.00 0.00 C ATOM 452 O GLY A 28 25.654 26.735 12.061 1.00 0.00 O ATOM 0 H GLY A 28 25.183 23.192 11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.312 24.327 13.674 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.919 24.360 12.977 1.00 0.00 H new ATOM 456 N GLY A 29 23.470 26.564 12.589 1.00 0.00 N ATOM 457 CA GLY A 29 23.099 27.967 12.330 1.00 0.00 C ATOM 458 C GLY A 29 22.686 28.268 10.882 1.00 0.00 C ATOM 459 O GLY A 29 22.840 29.402 10.434 1.00 0.00 O ATOM 0 H GLY A 29 22.681 25.999 12.902 1.00 0.00 H new ATOM 0 HA2 GLY A 29 22.276 28.238 12.991 1.00 0.00 H new ATOM 0 HA3 GLY A 29 23.943 28.605 12.592 1.00 0.00 H new ATOM 463 N ALA A 30 22.189 27.275 10.142 1.00 0.00 N ATOM 464 CA ALA A 30 21.671 27.403 8.774 1.00 0.00 C ATOM 465 C ALA A 30 20.601 26.330 8.466 1.00 0.00 C ATOM 466 O ALA A 30 20.550 25.284 9.122 1.00 0.00 O ATOM 467 CB ALA A 30 22.846 27.310 7.789 1.00 0.00 C ATOM 0 H ALA A 30 22.133 26.319 10.492 1.00 0.00 H new ATOM 0 HA ALA A 30 21.181 28.371 8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.474 27.404 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.555 28.113 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.344 26.348 7.907 1.00 0.00 H new ATOM 473 N VAL A 31 19.764 26.545 7.444 1.00 0.00 N ATOM 474 CA VAL A 31 18.820 25.533 6.906 1.00 0.00 C ATOM 475 C VAL A 31 19.176 25.160 5.466 1.00 0.00 C ATOM 476 O VAL A 31 19.582 26.023 4.689 1.00 0.00 O ATOM 477 CB VAL A 31 17.353 25.996 7.025 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.362 25.007 6.390 1.00 0.00 C ATOM 479 CG2 VAL A 31 16.950 26.146 8.493 1.00 0.00 C ATOM 0 H VAL A 31 19.716 27.438 6.953 1.00 0.00 H new ATOM 0 HA VAL A 31 18.920 24.636 7.517 1.00 0.00 H new ATOM 0 HB VAL A 31 17.305 26.948 6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.346 25.386 6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.590 24.894 5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.446 24.039 6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.912 26.473 8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.058 25.187 9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.592 26.885 8.973 1.00 0.00 H new ATOM 489 N ARG A 32 18.989 23.884 5.105 1.00 0.00 N ATOM 490 CA ARG A 32 19.093 23.340 3.736 1.00 0.00 C ATOM 491 C ARG A 32 17.779 22.684 3.301 1.00 0.00 C ATOM 492 O ARG A 32 17.113 22.021 4.098 1.00 0.00 O ATOM 493 CB ARG A 32 20.266 22.349 3.649 1.00 0.00 C ATOM 494 CG ARG A 32 21.633 23.035 3.821 1.00 0.00 C ATOM 495 CD ARG A 32 22.765 22.015 3.979 1.00 0.00 C ATOM 496 NE ARG A 32 23.000 21.223 2.760 1.00 0.00 N ATOM 497 CZ ARG A 32 23.932 20.299 2.607 1.00 0.00 C ATOM 498 NH1 ARG A 32 24.744 19.945 3.570 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 24.037 19.700 1.458 1.00 0.00 N ATOM 0 H ARG A 32 18.750 23.165 5.788 1.00 0.00 H new ATOM 0 HA ARG A 32 19.287 24.164 3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.148 21.584 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.237 21.841 2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.833 23.669 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.606 23.686 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.683 22.538 4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.528 21.342 4.803 1.00 0.00 H new ATOM 0 HE ARG A 32 22.389 21.404 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.672 20.388 4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.448 19.226 3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.406 19.946 0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.750 18.984 1.319 1.00 0.00 H new ATOM 513 N VAL A 33 17.420 22.859 2.036 1.00 0.00 N ATOM 514 CA VAL A 33 16.151 22.449 1.411 1.00 0.00 C ATOM 515 C VAL A 33 16.429 21.793 0.057 1.00 0.00 C ATOM 516 O VAL A 33 17.161 22.369 -0.748 1.00 0.00 O ATOM 517 CB VAL A 33 15.229 23.673 1.202 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.890 23.301 0.555 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.938 24.427 2.504 1.00 0.00 C ATOM 0 H VAL A 33 18.040 23.319 1.370 1.00 0.00 H new ATOM 0 HA VAL A 33 15.655 21.738 2.072 1.00 0.00 H new ATOM 0 HB VAL A 33 15.788 24.322 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.283 24.198 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.070 22.849 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.363 22.591 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.286 25.276 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.447 23.758 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.873 24.785 2.934 1.00 0.00 H new ATOM 529 N THR A 34 15.828 20.631 -0.220 1.00 0.00 N ATOM 530 CA THR A 34 16.012 19.916 -1.499 1.00 0.00 C ATOM 531 C THR A 34 14.681 19.417 -2.067 1.00 0.00 C ATOM 532 O THR A 34 13.855 18.842 -1.352 1.00 0.00 O ATOM 533 CB THR A 34 17.044 18.787 -1.362 1.00 0.00 C ATOM 534 OG1 THR A 34 18.313 19.326 -1.031 1.00 0.00 O ATOM 535 CG2 THR A 34 17.256 17.962 -2.628 1.00 0.00 C ATOM 0 H THR A 34 15.201 20.156 0.430 1.00 0.00 H new ATOM 0 HA THR A 34 16.410 20.629 -2.221 1.00 0.00 H new ATOM 0 HB THR A 34 16.635 18.138 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.965 18.599 -0.944 1.00 0.00 H new ATOM 0 HG21 THR A 34 18.001 17.189 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.315 17.496 -2.920 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.604 18.611 -3.431 1.00 0.00 H new ATOM 543 N THR A 35 14.464 19.653 -3.360 1.00 0.00 N ATOM 544 CA THR A 35 13.224 19.308 -4.078 1.00 0.00 C ATOM 545 C THR A 35 13.202 17.875 -4.610 1.00 0.00 C ATOM 546 O THR A 35 14.233 17.207 -4.735 1.00 0.00 O ATOM 547 CB THR A 35 12.930 20.285 -5.234 1.00 0.00 C ATOM 548 OG1 THR A 35 13.807 20.072 -6.319 1.00 0.00 O ATOM 549 CG2 THR A 35 13.028 21.754 -4.820 1.00 0.00 C ATOM 0 H THR A 35 15.159 20.100 -3.958 1.00 0.00 H new ATOM 0 HA THR A 35 12.440 19.394 -3.326 1.00 0.00 H new ATOM 0 HB THR A 35 11.901 20.078 -5.529 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.597 20.704 -7.038 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.810 22.389 -5.678 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.309 21.957 -4.026 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.035 21.964 -4.460 1.00 0.00 H new ATOM 557 N LEU A 36 12.013 17.413 -4.994 1.00 0.00 N ATOM 558 CA LEU A 36 11.758 16.175 -5.736 1.00 0.00 C ATOM 559 C LEU A 36 12.505 16.105 -7.094 1.00 0.00 C ATOM 560 O LEU A 36 12.720 15.019 -7.629 1.00 0.00 O ATOM 561 CB LEU A 36 10.222 16.106 -5.897 1.00 0.00 C ATOM 562 CG LEU A 36 9.657 14.933 -6.717 1.00 0.00 C ATOM 563 CD1 LEU A 36 10.057 13.570 -6.162 1.00 0.00 C ATOM 564 CD2 LEU A 36 8.129 14.999 -6.684 1.00 0.00 C ATOM 0 H LEU A 36 11.153 17.919 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 36 12.145 15.312 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.779 16.068 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.888 17.035 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 36 10.062 15.030 -7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.628 12.784 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.143 13.481 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.686 13.469 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.717 14.172 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.784 14.928 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.796 15.944 -7.114 1.00 0.00 H new ATOM 576 N PHE A 37 12.929 17.254 -7.626 1.00 0.00 N ATOM 577 CA PHE A 37 13.647 17.397 -8.900 1.00 0.00 C ATOM 578 C PHE A 37 15.141 17.747 -8.714 1.00 0.00 C ATOM 579 O PHE A 37 15.781 18.289 -9.619 1.00 0.00 O ATOM 580 CB PHE A 37 12.850 18.348 -9.805 1.00 0.00 C ATOM 581 CG PHE A 37 11.397 17.908 -9.951 1.00 0.00 C ATOM 582 CD1 PHE A 37 11.083 16.785 -10.742 1.00 0.00 C ATOM 583 CD2 PHE A 37 10.381 18.544 -9.205 1.00 0.00 C ATOM 584 CE1 PHE A 37 9.769 16.283 -10.773 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.066 18.039 -9.232 1.00 0.00 C ATOM 586 CZ PHE A 37 8.764 16.910 -10.013 1.00 0.00 C ATOM 0 H PHE A 37 12.776 18.150 -7.163 1.00 0.00 H new ATOM 0 HA PHE A 37 13.700 16.436 -9.411 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.884 19.356 -9.392 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.317 18.390 -10.789 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.855 16.307 -11.327 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.612 19.418 -8.614 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.533 15.420 -11.378 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.291 18.519 -8.653 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.756 16.522 -10.030 1.00 0.00 H new ATOM 596 N ASP A 38 15.703 17.399 -7.549 1.00 0.00 N ATOM 597 CA ASP A 38 17.132 17.489 -7.193 1.00 0.00 C ATOM 598 C ASP A 38 17.734 18.915 -7.168 1.00 0.00 C ATOM 599 O ASP A 38 18.959 19.074 -7.157 1.00 0.00 O ATOM 600 CB ASP A 38 17.980 16.486 -8.011 1.00 0.00 C ATOM 601 CG ASP A 38 17.470 15.033 -7.996 1.00 0.00 C ATOM 602 OD1 ASP A 38 16.897 14.579 -6.976 1.00 0.00 O ATOM 603 OD2 ASP A 38 17.689 14.312 -9.002 1.00 0.00 O1- ATOM 0 H ASP A 38 15.143 17.025 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 38 17.176 17.194 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.023 16.829 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.000 16.500 -7.628 1.00 0.00 H new ATOM 608 N GLU A 39 16.911 19.967 -7.114 1.00 0.00 N ATOM 609 CA GLU A 39 17.366 21.339 -6.840 1.00 0.00 C ATOM 610 C GLU A 39 17.607 21.531 -5.331 1.00 0.00 C ATOM 611 O GLU A 39 16.766 21.153 -4.514 1.00 0.00 O ATOM 612 CB GLU A 39 16.352 22.379 -7.350 1.00 0.00 C ATOM 613 CG GLU A 39 16.097 22.328 -8.864 1.00 0.00 C ATOM 614 CD GLU A 39 17.363 22.537 -9.725 1.00 0.00 C ATOM 615 OE1 GLU A 39 17.431 21.973 -10.847 1.00 0.00 O ATOM 616 OE2 GLU A 39 18.287 23.276 -9.313 1.00 0.00 O1- ATOM 0 H GLU A 39 15.904 19.893 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 39 18.304 21.492 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.406 22.231 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.708 23.375 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.655 21.364 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.364 23.092 -9.124 1.00 0.00 H new ATOM 623 N GLU A 40 18.739 22.133 -4.951 1.00 0.00 N ATOM 624 CA GLU A 40 19.093 22.435 -3.554 1.00 0.00 C ATOM 625 C GLU A 40 19.177 23.941 -3.292 1.00 0.00 C ATOM 626 O GLU A 40 19.714 24.704 -4.104 1.00 0.00 O ATOM 627 CB GLU A 40 20.386 21.708 -3.146 1.00 0.00 C ATOM 628 CG GLU A 40 20.745 21.941 -1.665 1.00 0.00 C ATOM 629 CD GLU A 40 21.848 20.999 -1.138 1.00 0.00 C ATOM 630 OE1 GLU A 40 21.805 20.651 0.068 1.00 0.00 O ATOM 631 OE2 GLU A 40 22.768 20.614 -1.895 1.00 0.00 O1- ATOM 0 H GLU A 40 19.451 22.431 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 40 18.287 22.058 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.272 20.639 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.207 22.051 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 40 21.070 22.974 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.849 21.812 -1.058 1.00 0.00 H new ATOM 638 N HIS A 41 18.694 24.359 -2.119 1.00 0.00 N ATOM 639 CA HIS A 41 18.691 25.737 -1.614 1.00 0.00 C ATOM 640 C HIS A 41 19.205 25.764 -0.166 1.00 0.00 C ATOM 641 O HIS A 41 18.969 24.822 0.597 1.00 0.00 O ATOM 642 CB HIS A 41 17.272 26.326 -1.703 1.00 0.00 C ATOM 643 CG HIS A 41 16.578 26.123 -3.031 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.693 26.945 -4.158 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.761 25.070 -3.334 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.936 26.366 -5.111 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.366 25.244 -4.641 1.00 0.00 N ATOM 0 H HIS A 41 18.270 23.709 -1.458 1.00 0.00 H new ATOM 0 HA HIS A 41 19.355 26.347 -2.226 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.660 25.881 -0.919 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.325 27.395 -1.498 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.480 24.260 -2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.806 26.750 -6.112 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.746 24.626 -5.164 1.00 0.00 H new ATOM 655 N ALA A 42 19.883 26.844 0.230 1.00 0.00 N ATOM 656 CA ALA A 42 20.435 27.006 1.579 1.00 0.00 C ATOM 657 C ALA A 42 20.269 28.442 2.116 1.00 0.00 C ATOM 658 O ALA A 42 20.374 29.418 1.364 1.00 0.00 O ATOM 659 CB ALA A 42 21.897 26.551 1.579 1.00 0.00 C ATOM 0 H ALA A 42 20.066 27.639 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 42 19.869 26.377 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.315 26.668 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.952 25.503 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.467 27.157 0.874 1.00 0.00 H new ATOM 665 N PHE A 43 20.034 28.559 3.425 1.00 0.00 N ATOM 666 CA PHE A 43 19.669 29.797 4.124 1.00 0.00 C ATOM 667 C PHE A 43 20.376 29.897 5.490 1.00 0.00 C ATOM 668 O PHE A 43 19.873 29.370 6.493 1.00 0.00 O ATOM 669 CB PHE A 43 18.138 29.861 4.265 1.00 0.00 C ATOM 670 CG PHE A 43 17.396 29.802 2.946 1.00 0.00 C ATOM 671 CD1 PHE A 43 17.284 30.951 2.142 1.00 0.00 C ATOM 672 CD2 PHE A 43 16.872 28.578 2.488 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.662 30.879 0.882 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.250 28.499 1.229 1.00 0.00 C ATOM 675 CZ PHE A 43 16.150 29.651 0.426 1.00 0.00 C ATOM 0 H PHE A 43 20.095 27.760 4.056 1.00 0.00 H new ATOM 0 HA PHE A 43 20.004 30.655 3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.806 29.035 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 43 17.869 30.783 4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.678 31.893 2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 43 16.948 27.696 3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.578 31.763 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.851 27.558 0.880 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.678 29.592 -0.544 1.00 0.00 H new ATOM 685 N PRO A 44 21.556 30.544 5.560 1.00 0.00 N ATOM 686 CA PRO A 44 22.241 30.822 6.822 1.00 0.00 C ATOM 687 C PRO A 44 21.436 31.747 7.743 1.00 0.00 C ATOM 688 O PRO A 44 20.722 32.653 7.298 1.00 0.00 O ATOM 689 CB PRO A 44 23.597 31.419 6.452 1.00 0.00 C ATOM 690 CG PRO A 44 23.819 30.945 5.016 1.00 0.00 C ATOM 691 CD PRO A 44 22.406 30.939 4.444 1.00 0.00 C ATOM 0 HA PRO A 44 22.361 29.904 7.398 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.587 32.507 6.518 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.385 31.066 7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.476 31.617 4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.274 29.955 4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 44 22.129 31.922 4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.318 30.239 3.613 1.00 0.00 H new ATOM 699 N GLY A 45 21.564 31.521 9.050 1.00 0.00 N ATOM 700 CA GLY A 45 20.903 32.286 10.111 1.00 0.00 C ATOM 701 C GLY A 45 19.456 31.876 10.388 1.00 0.00 C ATOM 702 O GLY A 45 18.797 32.517 11.213 1.00 0.00 O ATOM 0 H GLY A 45 22.153 30.772 9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.479 32.179 11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.922 33.343 9.844 1.00 0.00 H new ATOM 706 N LEU A 46 18.948 30.830 9.726 1.00 0.00 N ATOM 707 CA LEU A 46 17.637 30.232 10.002 1.00 0.00 C ATOM 708 C LEU A 46 17.748 28.900 10.763 1.00 0.00 C ATOM 709 O LEU A 46 18.810 28.273 10.822 1.00 0.00 O ATOM 710 CB LEU A 46 16.830 30.059 8.699 1.00 0.00 C ATOM 711 CG LEU A 46 16.590 31.341 7.875 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.636 31.028 6.717 1.00 0.00 C ATOM 713 CD2 LEU A 46 15.953 32.477 8.679 1.00 0.00 C ATOM 0 H LEU A 46 19.448 30.366 8.967 1.00 0.00 H new ATOM 0 HA LEU A 46 17.101 30.923 10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.348 29.337 8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.862 29.626 8.950 1.00 0.00 H new ATOM 0 HG LEU A 46 17.573 31.667 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.464 31.932 6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.077 30.262 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.687 30.667 7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.814 33.345 8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.986 32.153 9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.604 32.743 9.512 1.00 0.00 H new ATOM 725 N ALA A 47 16.612 28.449 11.289 1.00 0.00 N ATOM 726 CA ALA A 47 16.349 27.107 11.805 1.00 0.00 C ATOM 727 C ALA A 47 14.933 26.649 11.408 1.00 0.00 C ATOM 728 O ALA A 47 14.065 27.469 11.088 1.00 0.00 O ATOM 729 CB ALA A 47 16.553 27.105 13.323 1.00 0.00 C ATOM 0 H ALA A 47 15.794 29.053 11.372 1.00 0.00 H new ATOM 0 HA ALA A 47 17.047 26.394 11.367 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.358 26.107 13.715 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.579 27.391 13.553 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.867 27.816 13.783 1.00 0.00 H new ATOM 735 N ILE A 48 14.671 25.336 11.447 1.00 0.00 N ATOM 736 CA ILE A 48 13.339 24.763 11.188 1.00 0.00 C ATOM 737 C ILE A 48 12.425 25.076 12.385 1.00 0.00 C ATOM 738 O ILE A 48 12.689 24.622 13.502 1.00 0.00 O ATOM 739 CB ILE A 48 13.409 23.245 10.901 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.394 22.912 9.754 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.997 22.717 10.584 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.659 21.409 9.576 1.00 0.00 C ATOM 0 H ILE A 48 15.381 24.635 11.660 1.00 0.00 H new ATOM 0 HA ILE A 48 12.923 25.218 10.289 1.00 0.00 H new ATOM 0 HB ILE A 48 13.791 22.748 11.793 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.999 23.314 8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 48 15.341 23.418 9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.046 21.647 10.382 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.342 22.896 11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.603 23.234 9.709 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.358 21.258 8.754 1.00 0.00 H new ATOM 0 HD12 ILE A 48 15.085 21.003 10.494 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.722 20.898 9.354 1.00 0.00 H new ATOM 754 N GLY A 49 11.375 25.870 12.164 1.00 0.00 N ATOM 755 CA GLY A 49 10.454 26.343 13.208 1.00 0.00 C ATOM 756 C GLY A 49 9.197 25.483 13.362 1.00 0.00 C ATOM 757 O GLY A 49 8.820 25.147 14.485 1.00 0.00 O ATOM 0 H GLY A 49 11.133 26.212 11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.983 26.370 14.161 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.156 27.366 12.980 1.00 0.00 H new ATOM 761 N ARG A 50 8.557 25.108 12.248 1.00 0.00 N ATOM 762 CA ARG A 50 7.335 24.277 12.220 1.00 0.00 C ATOM 763 C ARG A 50 7.340 23.309 11.041 1.00 0.00 C ATOM 764 O ARG A 50 7.850 23.635 9.971 1.00 0.00 O ATOM 765 CB ARG A 50 6.057 25.139 12.158 1.00 0.00 C ATOM 766 CG ARG A 50 5.974 26.283 13.189 1.00 0.00 C ATOM 767 CD ARG A 50 4.644 27.046 13.114 1.00 0.00 C ATOM 768 NE ARG A 50 4.464 27.724 11.814 1.00 0.00 N ATOM 769 CZ ARG A 50 3.583 28.658 11.502 1.00 0.00 C ATOM 770 NH1 ARG A 50 2.727 29.129 12.364 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 3.558 29.128 10.291 1.00 0.00 N ATOM 0 H ARG A 50 8.877 25.377 11.317 1.00 0.00 H new ATOM 0 HA ARG A 50 7.333 23.708 13.149 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.978 25.568 11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.194 24.487 12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.099 25.874 14.192 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.798 26.978 13.023 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.819 26.353 13.278 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.604 27.784 13.916 1.00 0.00 H new ATOM 0 HE ARG A 50 5.096 27.436 11.067 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.721 28.776 13.321 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.063 29.850 12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.214 28.776 9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.883 29.849 10.038 1.00 0.00 H new ATOM 785 N VAL A 51 6.696 22.161 11.220 1.00 0.00 N ATOM 786 CA VAL A 51 6.416 21.145 10.196 1.00 0.00 C ATOM 787 C VAL A 51 4.952 20.732 10.318 1.00 0.00 C ATOM 788 O VAL A 51 4.516 20.343 11.400 1.00 0.00 O ATOM 789 CB VAL A 51 7.334 19.913 10.358 1.00 0.00 C ATOM 790 CG1 VAL A 51 7.069 18.868 9.268 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.819 20.281 10.312 1.00 0.00 C ATOM 0 H VAL A 51 6.332 21.893 12.134 1.00 0.00 H new ATOM 0 HA VAL A 51 6.611 21.566 9.210 1.00 0.00 H new ATOM 0 HB VAL A 51 7.098 19.500 11.339 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.732 18.015 9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.033 18.536 9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.254 19.309 8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.421 19.380 10.430 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.049 20.748 9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.046 20.978 11.119 1.00 0.00 H new ATOM 801 N ASP A 52 4.186 20.805 9.233 1.00 0.00 N ATOM 802 CA ASP A 52 2.738 20.575 9.229 1.00 0.00 C ATOM 803 C ASP A 52 2.334 19.721 8.026 1.00 0.00 C ATOM 804 O ASP A 52 2.241 20.209 6.900 1.00 0.00 O ATOM 805 CB ASP A 52 2.038 21.947 9.294 1.00 0.00 C ATOM 806 CG ASP A 52 0.510 21.875 9.387 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.111 22.866 9.827 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.112 20.853 9.020 1.00 0.00 O1- ATOM 0 H ASP A 52 4.559 21.030 8.311 1.00 0.00 H new ATOM 0 HA ASP A 52 2.422 20.001 10.100 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.417 22.494 10.157 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.309 22.522 8.408 1.00 0.00 H new ATOM 813 N LEU A 53 2.119 18.424 8.270 1.00 0.00 N ATOM 814 CA LEU A 53 1.830 17.422 7.245 1.00 0.00 C ATOM 815 C LEU A 53 0.370 17.488 6.742 1.00 0.00 C ATOM 816 O LEU A 53 0.075 17.083 5.617 1.00 0.00 O ATOM 817 CB LEU A 53 2.161 16.014 7.788 1.00 0.00 C ATOM 818 CG LEU A 53 3.587 15.701 8.291 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.678 16.241 7.368 1.00 0.00 C ATOM 820 CD2 LEU A 53 3.852 16.169 9.727 1.00 0.00 C ATOM 0 H LEU A 53 2.142 18.034 9.212 1.00 0.00 H new ATOM 0 HA LEU A 53 2.461 17.639 6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.475 15.813 8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.930 15.299 6.999 1.00 0.00 H new ATOM 0 HG LEU A 53 3.633 14.612 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.657 15.989 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.571 15.796 6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.585 17.324 7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.873 15.914 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.717 17.249 9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.154 15.677 10.405 1.00 0.00 H new ATOM 832 N ARG A 54 -0.539 18.055 7.549 1.00 0.00 N ATOM 833 CA ARG A 54 -1.937 18.342 7.183 1.00 0.00 C ATOM 834 C ARG A 54 -2.040 19.512 6.200 1.00 0.00 C ATOM 835 O ARG A 54 -2.803 19.442 5.237 1.00 0.00 O ATOM 836 CB ARG A 54 -2.735 18.512 8.489 1.00 0.00 C ATOM 837 CG ARG A 54 -4.061 19.299 8.455 1.00 0.00 C ATOM 838 CD ARG A 54 -3.939 20.835 8.482 1.00 0.00 C ATOM 839 NE ARG A 54 -2.968 21.330 9.477 1.00 0.00 N ATOM 840 CZ ARG A 54 -3.133 21.507 10.777 1.00 0.00 C ATOM 841 NH1 ARG A 54 -4.246 21.255 11.404 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -2.127 21.935 11.471 1.00 0.00 N ATOM 0 H ARG A 54 -0.316 18.336 8.504 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.380 17.514 6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.953 17.516 8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.082 18.998 9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.606 19.014 7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.666 18.988 9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.645 21.186 7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.917 21.266 8.695 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.045 21.568 9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.052 20.900 10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.312 21.412 12.410 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.236 22.127 11.013 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.226 22.081 12.476 1.00 0.00 H new ATOM 856 N SER A 55 -1.250 20.561 6.418 1.00 0.00 N ATOM 857 CA SER A 55 -1.137 21.719 5.519 1.00 0.00 C ATOM 858 C SER A 55 -0.209 21.445 4.318 1.00 0.00 C ATOM 859 O SER A 55 -0.425 21.971 3.224 1.00 0.00 O ATOM 860 CB SER A 55 -0.650 22.924 6.330 1.00 0.00 C ATOM 861 OG SER A 55 -0.722 24.113 5.564 1.00 0.00 O ATOM 0 H SER A 55 -0.655 20.636 7.243 1.00 0.00 H new ATOM 0 HA SER A 55 -2.120 21.927 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.255 23.030 7.230 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.377 22.758 6.654 1.00 0.00 H new ATOM 0 HG SER A 55 -0.408 24.869 6.103 1.00 0.00 H new ATOM 867 N GLY A 56 0.807 20.592 4.508 1.00 0.00 N ATOM 868 CA GLY A 56 1.888 20.337 3.547 1.00 0.00 C ATOM 869 C GLY A 56 2.966 21.429 3.552 1.00 0.00 C ATOM 870 O GLY A 56 3.535 21.731 2.503 1.00 0.00 O ATOM 0 H GLY A 56 0.902 20.043 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.351 19.377 3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.465 20.257 2.546 1.00 0.00 H new ATOM 874 N VAL A 57 3.223 22.062 4.702 1.00 0.00 N ATOM 875 CA VAL A 57 4.048 23.281 4.829 1.00 0.00 C ATOM 876 C VAL A 57 5.115 23.136 5.923 1.00 0.00 C ATOM 877 O VAL A 57 4.871 22.549 6.981 1.00 0.00 O ATOM 878 CB VAL A 57 3.161 24.527 5.072 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.973 25.826 5.230 1.00 0.00 C ATOM 880 CG2 VAL A 57 2.189 24.763 3.907 1.00 0.00 C ATOM 0 H VAL A 57 2.856 21.737 5.596 1.00 0.00 H new ATOM 0 HA VAL A 57 4.574 23.420 3.884 1.00 0.00 H new ATOM 0 HB VAL A 57 2.629 24.308 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.294 26.662 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.649 25.732 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.552 26.005 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.583 25.645 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.754 24.916 2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.540 23.895 3.793 1.00 0.00 H new ATOM 890 N ILE A 58 6.298 23.714 5.675 1.00 0.00 N ATOM 891 CA ILE A 58 7.421 23.832 6.616 1.00 0.00 C ATOM 892 C ILE A 58 7.776 25.316 6.788 1.00 0.00 C ATOM 893 O ILE A 58 8.133 25.992 5.822 1.00 0.00 O ATOM 894 CB ILE A 58 8.617 22.972 6.136 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.239 21.474 6.154 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.864 23.219 7.009 1.00 0.00 C ATOM 897 CD1 ILE A 58 9.279 20.555 5.513 1.00 0.00 C ATOM 0 H ILE A 58 6.508 24.132 4.769 1.00 0.00 H new ATOM 0 HA ILE A 58 7.141 23.445 7.596 1.00 0.00 H new ATOM 0 HB ILE A 58 8.857 23.265 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.084 21.163 7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.289 21.345 5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.688 22.602 6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.146 24.270 6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.641 22.959 8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.935 19.522 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.419 20.836 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.226 20.651 6.044 1.00 0.00 H new ATOM 909 N SER A 59 7.680 25.823 8.019 1.00 0.00 N ATOM 910 CA SER A 59 7.999 27.213 8.364 1.00 0.00 C ATOM 911 C SER A 59 9.412 27.319 8.939 1.00 0.00 C ATOM 912 O SER A 59 9.748 26.598 9.887 1.00 0.00 O ATOM 913 CB SER A 59 7.025 27.763 9.406 1.00 0.00 C ATOM 914 OG SER A 59 5.677 27.621 8.993 1.00 0.00 O ATOM 0 H SER A 59 7.373 25.270 8.819 1.00 0.00 H new ATOM 0 HA SER A 59 7.921 27.793 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.172 27.242 10.352 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.241 28.816 9.585 1.00 0.00 H new ATOM 0 HG SER A 59 5.380 26.702 9.158 1.00 0.00 H new ATOM 920 N LEU A 60 10.228 28.240 8.423 1.00 0.00 N ATOM 921 CA LEU A 60 11.544 28.568 8.980 1.00 0.00 C ATOM 922 C LEU A 60 11.490 29.827 9.864 1.00 0.00 C ATOM 923 O LEU A 60 10.675 30.727 9.641 1.00 0.00 O ATOM 924 CB LEU A 60 12.589 28.700 7.864 1.00 0.00 C ATOM 925 CG LEU A 60 12.648 27.533 6.862 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.832 27.745 5.914 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.801 26.168 7.530 1.00 0.00 C ATOM 0 H LEU A 60 9.991 28.787 7.595 1.00 0.00 H new ATOM 0 HA LEU A 60 11.849 27.744 9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.390 29.619 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.571 28.810 8.323 1.00 0.00 H new ATOM 0 HG LEU A 60 11.698 27.530 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.880 26.922 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.703 28.684 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.757 27.781 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.836 25.391 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.724 26.148 8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.953 25.989 8.191 1.00 0.00 H new ATOM 939 N ILE A 61 12.388 29.901 10.852 1.00 0.00 N ATOM 940 CA ILE A 61 12.510 31.002 11.824 1.00 0.00 C ATOM 941 C ILE A 61 13.963 31.456 11.970 1.00 0.00 C ATOM 942 O ILE A 61 14.899 30.720 11.656 1.00 0.00 O ATOM 943 CB ILE A 61 11.908 30.634 13.206 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.659 29.473 13.908 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.403 30.330 13.077 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.706 29.928 14.934 1.00 0.00 C ATOM 0 H ILE A 61 13.080 29.167 11.006 1.00 0.00 H new ATOM 0 HA ILE A 61 11.929 31.835 11.428 1.00 0.00 H new ATOM 0 HB ILE A 61 12.037 31.506 13.848 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.931 28.834 14.408 1.00 0.00 H new ATOM 0 HG13 ILE A 61 13.151 28.863 13.150 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.998 30.074 14.056 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.886 31.208 12.689 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.258 29.493 12.394 1.00 0.00 H new ATOM 0 HD11 ILE A 61 14.184 29.055 15.378 1.00 0.00 H new ATOM 0 HD12 ILE A 61 14.459 30.541 14.438 1.00 0.00 H new ATOM 0 HD13 ILE A 61 13.220 30.512 15.716 1.00 0.00 H new ATOM 958 N GLU A 62 14.154 32.678 12.461 1.00 0.00 N ATOM 959 CA GLU A 62 15.456 33.323 12.642 1.00 0.00 C ATOM 960 C GLU A 62 16.186 32.775 13.879 1.00 0.00 C ATOM 961 O GLU A 62 15.751 32.962 15.019 1.00 0.00 O ATOM 962 CB GLU A 62 15.294 34.855 12.740 1.00 0.00 C ATOM 963 CG GLU A 62 14.552 35.491 11.547 1.00 0.00 C ATOM 964 CD GLU A 62 13.032 35.679 11.769 1.00 0.00 C ATOM 965 OE1 GLU A 62 12.471 36.660 11.223 1.00 0.00 O ATOM 966 OE2 GLU A 62 12.385 34.865 12.475 1.00 0.00 O1- ATOM 0 H GLU A 62 13.378 33.270 12.756 1.00 0.00 H new ATOM 0 HA GLU A 62 16.066 33.094 11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.756 35.094 13.657 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.282 35.309 12.823 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.999 36.462 11.332 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.704 34.868 10.666 1.00 0.00 H new ATOM 1113 N MET B 3 0.749 12.452 7.033 1.00 0.00 N ATOM 1114 CA MET B 3 1.206 12.310 8.425 1.00 0.00 C ATOM 1115 C MET B 3 2.623 11.709 8.463 1.00 0.00 C ATOM 1116 O MET B 3 3.115 11.195 7.452 1.00 0.00 O ATOM 1117 CB MET B 3 0.176 11.510 9.254 1.00 0.00 C ATOM 1118 CG MET B 3 0.021 10.036 8.855 1.00 0.00 C ATOM 1119 SD MET B 3 1.292 8.918 9.510 1.00 0.00 S ATOM 1120 CE MET B 3 0.640 7.336 8.922 1.00 0.00 C ATOM 0 HA MET B 3 1.275 13.293 8.891 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.463 11.557 10.304 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.795 11.998 9.167 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.955 9.686 9.191 1.00 0.00 H new ATOM 0 HG3 MET B 3 0.027 9.969 7.767 1.00 0.00 H new ATOM 0 HE1 MET B 3 1.302 6.530 9.237 1.00 0.00 H new ATOM 0 HE2 MET B 3 -0.353 7.174 9.340 1.00 0.00 H new ATOM 0 HE3 MET B 3 0.578 7.350 7.834 1.00 0.00 H new ATOM 1130 N ALA B 4 3.291 11.791 9.613 1.00 0.00 N ATOM 1131 CA ALA B 4 4.680 11.359 9.817 1.00 0.00 C ATOM 1132 C ALA B 4 4.870 10.641 11.166 1.00 0.00 C ATOM 1133 O ALA B 4 3.935 10.517 11.961 1.00 0.00 O ATOM 1134 CB ALA B 4 5.584 12.606 9.701 1.00 0.00 C ATOM 0 H ALA B 4 2.869 12.173 10.459 1.00 0.00 H new ATOM 0 HA ALA B 4 4.953 10.628 9.055 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.624 12.316 9.848 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.467 13.049 8.712 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.299 13.334 10.461 1.00 0.00 H new ATOM 1140 N LYS B 5 6.099 10.208 11.461 1.00 0.00 N ATOM 1141 CA LYS B 5 6.555 9.861 12.814 1.00 0.00 C ATOM 1142 C LYS B 5 7.713 10.746 13.275 1.00 0.00 C ATOM 1143 O LYS B 5 8.549 11.154 12.467 1.00 0.00 O ATOM 1144 CB LYS B 5 6.870 8.360 12.942 1.00 0.00 C ATOM 1145 CG LYS B 5 8.120 7.883 12.180 1.00 0.00 C ATOM 1146 CD LYS B 5 8.467 6.447 12.591 1.00 0.00 C ATOM 1147 CE LYS B 5 9.797 5.998 11.978 1.00 0.00 C ATOM 1148 NZ LYS B 5 10.238 4.702 12.556 1.00 0.00 N1+ ATOM 0 H LYS B 5 6.822 10.086 10.752 1.00 0.00 H new ATOM 0 HA LYS B 5 5.728 10.064 13.494 1.00 0.00 H new ATOM 0 HB2 LYS B 5 6.995 8.121 13.998 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.010 7.793 12.586 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.941 7.930 11.106 1.00 0.00 H new ATOM 0 HG3 LYS B 5 8.960 8.544 12.392 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.524 6.381 13.678 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.672 5.773 12.273 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.689 5.901 10.898 1.00 0.00 H new ATOM 0 HE3 LYS B 5 10.558 6.758 12.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.173 4.452 12.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.296 4.785 13.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.553 3.960 12.307 1.00 0.00 H new ATOM 1162 N VAL B 6 7.781 11.023 14.573 1.00 0.00 N ATOM 1163 CA VAL B 6 8.919 11.686 15.240 1.00 0.00 C ATOM 1164 C VAL B 6 9.843 10.645 15.877 1.00 0.00 C ATOM 1165 O VAL B 6 9.364 9.645 16.422 1.00 0.00 O ATOM 1166 CB VAL B 6 8.430 12.731 16.266 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.527 13.224 17.222 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.899 13.956 15.510 1.00 0.00 C ATOM 0 H VAL B 6 7.027 10.789 15.219 1.00 0.00 H new ATOM 0 HA VAL B 6 9.497 12.226 14.490 1.00 0.00 H new ATOM 0 HB VAL B 6 7.665 12.236 16.864 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.106 13.955 17.912 1.00 0.00 H new ATOM 0 HG12 VAL B 6 9.925 12.380 17.786 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.329 13.687 16.647 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.550 14.702 16.225 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.697 14.382 14.901 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.072 13.656 14.866 1.00 0.00 H new ATOM 1178 N VAL B 7 11.158 10.888 15.844 1.00 0.00 N ATOM 1179 CA VAL B 7 12.193 10.093 16.531 1.00 0.00 C ATOM 1180 C VAL B 7 13.210 10.996 17.248 1.00 0.00 C ATOM 1181 O VAL B 7 13.640 12.026 16.716 1.00 0.00 O ATOM 1182 CB VAL B 7 12.858 9.079 15.574 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.540 9.739 14.368 1.00 0.00 C ATOM 1184 CG2 VAL B 7 13.894 8.191 16.284 1.00 0.00 C ATOM 0 H VAL B 7 11.549 11.671 15.320 1.00 0.00 H new ATOM 0 HA VAL B 7 11.704 9.504 17.307 1.00 0.00 H new ATOM 0 HB VAL B 7 12.030 8.466 15.218 1.00 0.00 H new ATOM 0 HG11 VAL B 7 13.987 8.971 13.737 1.00 0.00 H new ATOM 0 HG12 VAL B 7 12.801 10.297 13.793 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.317 10.419 14.717 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.331 7.497 15.566 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.679 8.816 16.708 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.407 7.630 17.081 1.00 0.00 H new ATOM 1194 N LEU B 8 13.582 10.604 18.470 1.00 0.00 N ATOM 1195 CA LEU B 8 14.569 11.267 19.333 1.00 0.00 C ATOM 1196 C LEU B 8 15.259 10.251 20.264 1.00 0.00 C ATOM 1197 O LEU B 8 14.708 9.183 20.546 1.00 0.00 O ATOM 1198 CB LEU B 8 13.879 12.415 20.106 1.00 0.00 C ATOM 1199 CG LEU B 8 12.860 11.960 21.175 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.472 11.940 22.581 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.668 12.912 21.213 1.00 0.00 C ATOM 0 H LEU B 8 13.184 9.773 18.908 1.00 0.00 H new ATOM 0 HA LEU B 8 15.361 11.702 18.723 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.646 13.020 20.590 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.369 13.060 19.390 1.00 0.00 H new ATOM 0 HG LEU B 8 12.551 10.952 20.897 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.721 11.614 23.300 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.316 11.251 22.601 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.815 12.941 22.843 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.959 12.578 21.971 1.00 0.00 H new ATOM 0 HD22 LEU B 8 12.013 13.917 21.457 1.00 0.00 H new ATOM 0 HD23 LEU B 8 11.179 12.922 20.239 1.00 0.00 H new ATOM 1309 N VAL B 16 13.050 7.178 21.840 1.00 0.00 N ATOM 1310 CA VAL B 16 11.603 7.464 21.877 1.00 0.00 C ATOM 1311 C VAL B 16 11.096 7.755 20.461 1.00 0.00 C ATOM 1312 O VAL B 16 11.733 8.484 19.696 1.00 0.00 O ATOM 1313 CB VAL B 16 11.293 8.632 22.842 1.00 0.00 C ATOM 1314 CG1 VAL B 16 9.809 9.030 22.850 1.00 0.00 C ATOM 1315 CG2 VAL B 16 11.706 8.310 24.284 1.00 0.00 C ATOM 0 HA VAL B 16 11.079 6.587 22.257 1.00 0.00 H new ATOM 0 HB VAL B 16 11.880 9.468 22.462 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.657 9.854 23.547 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.510 9.341 21.849 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.205 8.177 23.160 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.470 9.157 24.928 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.164 7.430 24.630 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.778 8.114 24.320 1.00 0.00 H new ATOM 1325 N GLU B 17 9.931 7.207 20.114 1.00 0.00 N ATOM 1326 CA GLU B 17 9.249 7.432 18.835 1.00 0.00 C ATOM 1327 C GLU B 17 7.747 7.696 19.038 1.00 0.00 C ATOM 1328 O GLU B 17 7.116 7.089 19.910 1.00 0.00 O ATOM 1329 CB GLU B 17 9.455 6.249 17.865 1.00 0.00 C ATOM 1330 CG GLU B 17 10.922 6.042 17.461 1.00 0.00 C ATOM 1331 CD GLU B 17 11.090 4.900 16.441 1.00 0.00 C ATOM 1332 OE1 GLU B 17 11.826 3.927 16.735 1.00 0.00 O ATOM 1333 OE2 GLU B 17 10.518 4.972 15.324 1.00 0.00 O1- ATOM 0 H GLU B 17 9.420 6.576 20.731 1.00 0.00 H new ATOM 0 HA GLU B 17 9.697 8.320 18.389 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.082 5.337 18.331 1.00 0.00 H new ATOM 0 HB3 GLU B 17 8.859 6.416 16.968 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.314 6.966 17.037 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.514 5.823 18.350 1.00 0.00 H new ATOM 1340 N ILE B 18 7.169 8.574 18.209 1.00 0.00 N ATOM 1341 CA ILE B 18 5.736 8.918 18.192 1.00 0.00 C ATOM 1342 C ILE B 18 5.233 8.785 16.753 1.00 0.00 C ATOM 1343 O ILE B 18 5.728 9.479 15.865 1.00 0.00 O ATOM 1344 CB ILE B 18 5.490 10.338 18.744 1.00 0.00 C ATOM 1345 CG1 ILE B 18 5.989 10.509 20.197 1.00 0.00 C ATOM 1346 CG2 ILE B 18 3.992 10.698 18.676 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.214 11.975 20.577 1.00 0.00 C ATOM 0 H ILE B 18 7.703 9.084 17.505 1.00 0.00 H new ATOM 0 HA ILE B 18 5.186 8.237 18.841 1.00 0.00 H new ATOM 0 HB ILE B 18 6.065 11.015 18.112 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.263 10.068 20.880 1.00 0.00 H new ATOM 0 HG13 ILE B 18 6.921 9.958 20.324 1.00 0.00 H new ATOM 0 HG21 ILE B 18 3.841 11.703 19.070 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.655 10.660 17.640 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.419 9.986 19.270 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.564 12.034 21.608 1.00 0.00 H new ATOM 0 HD12 ILE B 18 6.961 12.412 19.915 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.277 12.524 20.480 1.00 0.00 H new ATOM 1359 N GLY B 19 4.265 7.905 16.524 1.00 0.00 N ATOM 1360 CA GLY B 19 3.602 7.719 15.223 1.00 0.00 C ATOM 1361 C GLY B 19 2.374 8.610 15.029 1.00 0.00 C ATOM 1362 O GLY B 19 1.891 9.245 15.970 1.00 0.00 O ATOM 0 H GLY B 19 3.906 7.284 17.249 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.318 7.923 14.427 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.303 6.676 15.123 1.00 0.00 H new ATOM 1366 N ASP B 20 1.833 8.622 13.805 1.00 0.00 N ATOM 1367 CA ASP B 20 0.592 9.328 13.429 1.00 0.00 C ATOM 1368 C ASP B 20 0.615 10.852 13.718 1.00 0.00 C ATOM 1369 O ASP B 20 -0.403 11.477 14.033 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.637 8.602 14.016 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.636 7.083 13.758 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -0.986 6.313 14.689 1.00 0.00 O ATOM 1373 OD2 ASP B 20 -0.312 6.642 12.624 1.00 0.00 O1- ATOM 0 H ASP B 20 2.257 8.126 13.021 1.00 0.00 H new ATOM 0 HA ASP B 20 0.514 9.283 12.343 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.675 8.780 15.091 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.542 9.034 13.589 1.00 0.00 H new ATOM 1378 N VAL B 21 1.804 11.459 13.622 1.00 0.00 N ATOM 1379 CA VAL B 21 2.070 12.885 13.851 1.00 0.00 C ATOM 1380 C VAL B 21 1.535 13.727 12.697 1.00 0.00 C ATOM 1381 O VAL B 21 1.859 13.483 11.532 1.00 0.00 O ATOM 1382 CB VAL B 21 3.577 13.145 14.071 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.876 14.630 14.281 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.072 12.381 15.305 1.00 0.00 C ATOM 0 H VAL B 21 2.648 10.944 13.370 1.00 0.00 H new ATOM 0 HA VAL B 21 1.546 13.181 14.760 1.00 0.00 H new ATOM 0 HB VAL B 21 4.091 12.803 13.173 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.947 14.768 14.432 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.558 15.193 13.403 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.337 14.989 15.158 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.135 12.573 15.449 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.521 12.714 16.184 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.912 11.313 15.160 1.00 0.00 H new ATOM 1394 N LEU B 22 0.728 14.735 13.031 1.00 0.00 N ATOM 1395 CA LEU B 22 0.123 15.678 12.096 1.00 0.00 C ATOM 1396 C LEU B 22 0.918 16.991 11.993 1.00 0.00 C ATOM 1397 O LEU B 22 1.041 17.552 10.901 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.328 15.889 12.558 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.148 16.822 11.648 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.604 16.372 11.540 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.158 18.251 12.187 1.00 0.00 C ATOM 0 H LEU B 22 0.469 14.922 14.000 1.00 0.00 H new ATOM 0 HA LEU B 22 0.137 15.278 11.082 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.826 14.921 12.610 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.320 16.299 13.568 1.00 0.00 H new ATOM 0 HG LEU B 22 -1.669 16.783 10.669 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.149 17.056 10.889 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.644 15.366 11.123 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.059 16.373 12.530 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.745 18.886 11.523 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.600 18.261 13.183 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.136 18.627 12.240 1.00 0.00 H new ATOM 1413 N GLU B 23 1.507 17.457 13.096 1.00 0.00 N ATOM 1414 CA GLU B 23 2.406 18.621 13.122 1.00 0.00 C ATOM 1415 C GLU B 23 3.432 18.603 14.279 1.00 0.00 C ATOM 1416 O GLU B 23 3.218 17.975 15.320 1.00 0.00 O ATOM 1417 CB GLU B 23 1.600 19.937 13.098 1.00 0.00 C ATOM 1418 CG GLU B 23 0.685 20.158 14.311 1.00 0.00 C ATOM 1419 CD GLU B 23 -0.022 21.521 14.207 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.273 21.568 14.121 1.00 0.00 O ATOM 1421 OE2 GLU B 23 0.676 22.567 14.199 1.00 0.00 O1- ATOM 0 H GLU B 23 1.373 17.032 14.013 1.00 0.00 H new ATOM 0 HA GLU B 23 3.004 18.558 12.213 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.298 20.772 13.031 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.991 19.957 12.194 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -0.056 19.360 14.366 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.270 20.114 15.229 1.00 0.00 H new ATOM 1428 N VAL B 24 4.543 19.316 14.081 1.00 0.00 N ATOM 1429 CA VAL B 24 5.673 19.471 15.011 1.00 0.00 C ATOM 1430 C VAL B 24 6.115 20.939 15.033 1.00 0.00 C ATOM 1431 O VAL B 24 6.170 21.579 13.982 1.00 0.00 O ATOM 1432 CB VAL B 24 6.868 18.570 14.618 1.00 0.00 C ATOM 1433 CG1 VAL B 24 8.046 18.660 15.597 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.463 17.096 14.531 1.00 0.00 C ATOM 0 H VAL B 24 4.691 19.834 13.215 1.00 0.00 H new ATOM 0 HA VAL B 24 5.340 19.164 16.002 1.00 0.00 H new ATOM 0 HB VAL B 24 7.182 18.945 13.644 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.849 18.004 15.262 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.409 19.687 15.636 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.718 18.354 16.590 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.330 16.496 14.253 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.088 16.764 15.499 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.683 16.977 13.779 1.00 0.00 H new ATOM 1444 N ARG B 25 6.448 21.486 16.212 1.00 0.00 N ATOM 1445 CA ARG B 25 6.858 22.892 16.383 1.00 0.00 C ATOM 1446 C ARG B 25 8.008 23.035 17.380 1.00 0.00 C ATOM 1447 O ARG B 25 7.967 22.444 18.461 1.00 0.00 O ATOM 1448 CB ARG B 25 5.663 23.759 16.829 1.00 0.00 C ATOM 1449 CG ARG B 25 4.446 23.696 15.887 1.00 0.00 C ATOM 1450 CD ARG B 25 3.406 24.748 16.287 1.00 0.00 C ATOM 1451 NE ARG B 25 2.191 24.660 15.456 1.00 0.00 N ATOM 1452 CZ ARG B 25 1.297 25.602 15.228 1.00 0.00 C ATOM 1453 NH1 ARG B 25 1.398 26.813 15.699 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 0.264 25.304 14.502 1.00 0.00 N ATOM 0 H ARG B 25 6.441 20.959 17.086 1.00 0.00 H new ATOM 0 HA ARG B 25 7.211 23.242 15.413 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.353 23.444 17.825 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.991 24.795 16.910 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.765 23.864 14.858 1.00 0.00 H new ATOM 0 HG3 ARG B 25 4.000 22.702 15.924 1.00 0.00 H new ATOM 0 HD2 ARG B 25 3.140 24.615 17.336 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.840 25.743 16.192 1.00 0.00 H new ATOM 0 HE ARG B 25 2.022 23.762 15.003 1.00 0.00 H new ATOM 0 HH11 ARG B 25 2.199 27.071 16.276 1.00 0.00 H new ATOM 0 HH12 ARG B 25 0.676 27.503 15.491 1.00 0.00 H new ATOM 0 HH21 ARG B 25 0.160 24.362 14.125 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -0.445 26.012 14.308 1.00 0.00 H new ATOM 1468 N ALA B 26 9.012 23.839 17.042 1.00 0.00 N ATOM 1469 CA ALA B 26 10.070 24.275 17.956 1.00 0.00 C ATOM 1470 C ALA B 26 9.694 25.609 18.637 1.00 0.00 C ATOM 1471 O ALA B 26 9.158 26.521 18.002 1.00 0.00 O ATOM 1472 CB ALA B 26 11.387 24.387 17.175 1.00 0.00 C ATOM 0 H ALA B 26 9.117 24.217 16.100 1.00 0.00 H new ATOM 0 HA ALA B 26 10.194 23.540 18.751 1.00 0.00 H new ATOM 0 HB1 ALA B 26 12.182 24.711 17.847 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.643 23.416 16.752 1.00 0.00 H new ATOM 0 HB3 ALA B 26 11.272 25.114 16.371 1.00 0.00 H new ATOM 1478 N GLU B 27 9.998 25.733 19.931 1.00 0.00 N ATOM 1479 CA GLU B 27 9.650 26.878 20.794 1.00 0.00 C ATOM 1480 C GLU B 27 10.874 27.701 21.249 1.00 0.00 C ATOM 1481 O GLU B 27 10.784 28.545 22.143 1.00 0.00 O ATOM 1482 CB GLU B 27 8.830 26.378 21.997 1.00 0.00 C ATOM 1483 CG GLU B 27 7.481 25.742 21.621 1.00 0.00 C ATOM 1484 CD GLU B 27 6.345 26.759 21.344 1.00 0.00 C ATOM 1485 OE1 GLU B 27 6.617 27.906 20.912 1.00 0.00 O ATOM 1486 OE2 GLU B 27 5.161 26.404 21.562 1.00 0.00 O1- ATOM 0 H GLU B 27 10.515 25.011 20.433 1.00 0.00 H new ATOM 0 HA GLU B 27 9.049 27.566 20.199 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.422 25.647 22.547 1.00 0.00 H new ATOM 0 HB3 GLU B 27 8.649 27.215 22.672 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.620 25.122 20.735 1.00 0.00 H new ATOM 0 HG3 GLU B 27 7.169 25.079 22.428 1.00 0.00 H new ATOM 1493 N GLY B 28 12.040 27.451 20.644 1.00 0.00 N ATOM 1494 CA GLY B 28 13.318 28.103 20.973 1.00 0.00 C ATOM 1495 C GLY B 28 13.879 27.676 22.337 1.00 0.00 C ATOM 1496 O GLY B 28 14.400 28.500 23.095 1.00 0.00 O ATOM 0 H GLY B 28 12.126 26.770 19.890 1.00 0.00 H new ATOM 0 HA2 GLY B 28 14.048 27.870 20.198 1.00 0.00 H new ATOM 0 HA3 GLY B 28 13.180 29.184 20.966 1.00 0.00 H new ATOM 1500 N GLY B 29 13.701 26.398 22.688 1.00 0.00 N ATOM 1501 CA GLY B 29 14.070 25.813 23.987 1.00 0.00 C ATOM 1502 C GLY B 29 13.398 24.465 24.279 1.00 0.00 C ATOM 1503 O GLY B 29 13.824 23.751 25.189 1.00 0.00 O ATOM 0 H GLY B 29 13.282 25.717 22.055 1.00 0.00 H new ATOM 0 HA2 GLY B 29 15.152 25.683 24.021 1.00 0.00 H new ATOM 0 HA3 GLY B 29 13.809 26.516 24.778 1.00 0.00 H new ATOM 1507 N ALA B 30 12.379 24.092 23.495 1.00 0.00 N ATOM 1508 CA ALA B 30 11.694 22.802 23.510 1.00 0.00 C ATOM 1509 C ALA B 30 11.100 22.483 22.130 1.00 0.00 C ATOM 1510 O ALA B 30 10.901 23.388 21.313 1.00 0.00 O ATOM 1511 CB ALA B 30 10.604 22.842 24.592 1.00 0.00 C ATOM 0 H ALA B 30 11.991 24.723 22.793 1.00 0.00 H new ATOM 0 HA ALA B 30 12.404 22.008 23.741 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.081 21.886 24.618 1.00 0.00 H new ATOM 0 HB2 ALA B 30 11.062 23.031 25.563 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.894 23.637 24.364 1.00 0.00 H new ATOM 1517 N VAL B 31 10.774 21.211 21.883 1.00 0.00 N ATOM 1518 CA VAL B 31 9.950 20.766 20.736 1.00 0.00 C ATOM 1519 C VAL B 31 8.616 20.186 21.213 1.00 0.00 C ATOM 1520 O VAL B 31 8.569 19.449 22.197 1.00 0.00 O ATOM 1521 CB VAL B 31 10.706 19.777 19.825 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.811 19.189 18.726 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.876 20.475 19.118 1.00 0.00 C ATOM 0 H VAL B 31 11.077 20.442 22.480 1.00 0.00 H new ATOM 0 HA VAL B 31 9.736 21.646 20.130 1.00 0.00 H new ATOM 0 HB VAL B 31 11.054 18.979 20.481 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.392 18.500 18.113 1.00 0.00 H new ATOM 0 HG12 VAL B 31 8.978 18.655 19.182 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.426 19.994 18.100 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.395 19.759 18.481 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.496 21.295 18.508 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.569 20.868 19.862 1.00 0.00 H new ATOM 1533 N ARG B 32 7.535 20.519 20.498 1.00 0.00 N ATOM 1534 CA ARG B 32 6.163 20.011 20.671 1.00 0.00 C ATOM 1535 C ARG B 32 5.749 19.162 19.471 1.00 0.00 C ATOM 1536 O ARG B 32 6.109 19.480 18.337 1.00 0.00 O ATOM 1537 CB ARG B 32 5.206 21.196 20.843 1.00 0.00 C ATOM 1538 CG ARG B 32 5.436 21.967 22.159 1.00 0.00 C ATOM 1539 CD ARG B 32 4.677 23.295 22.185 1.00 0.00 C ATOM 1540 NE ARG B 32 3.219 23.116 22.151 1.00 0.00 N ATOM 1541 CZ ARG B 32 2.302 24.047 21.974 1.00 0.00 C ATOM 1542 NH1 ARG B 32 2.591 25.306 21.770 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 1.056 23.694 22.004 1.00 0.00 N ATOM 0 H ARG B 32 7.596 21.193 19.734 1.00 0.00 H new ATOM 0 HA ARG B 32 6.123 19.380 21.559 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.326 21.879 20.002 1.00 0.00 H new ATOM 0 HB3 ARG B 32 4.178 20.834 20.815 1.00 0.00 H new ATOM 0 HG2 ARG B 32 5.118 21.351 23.000 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.502 22.156 22.287 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.950 23.847 23.084 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.984 23.901 21.333 1.00 0.00 H new ATOM 0 HE ARG B 32 2.877 22.163 22.279 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.565 25.608 21.742 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.842 25.986 21.639 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.806 22.718 22.161 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.325 24.392 21.870 1.00 0.00 H new ATOM 1557 N VAL B 33 4.977 18.102 19.713 1.00 0.00 N ATOM 1558 CA VAL B 33 4.557 17.093 18.723 1.00 0.00 C ATOM 1559 C VAL B 33 3.068 16.795 18.905 1.00 0.00 C ATOM 1560 O VAL B 33 2.652 16.469 20.016 1.00 0.00 O ATOM 1561 CB VAL B 33 5.379 15.796 18.911 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.979 14.713 17.903 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.885 16.028 18.778 1.00 0.00 C ATOM 0 H VAL B 33 4.608 17.909 20.644 1.00 0.00 H new ATOM 0 HA VAL B 33 4.731 17.478 17.718 1.00 0.00 H new ATOM 0 HB VAL B 33 5.154 15.464 19.925 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.581 13.820 18.071 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.924 14.469 18.030 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.147 15.079 16.890 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.412 15.085 18.919 1.00 0.00 H new ATOM 0 HG22 VAL B 33 7.106 16.423 17.786 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.211 16.742 19.534 1.00 0.00 H new ATOM 1573 N THR B 34 2.265 16.887 17.843 1.00 0.00 N ATOM 1574 CA THR B 34 0.799 16.717 17.891 1.00 0.00 C ATOM 1575 C THR B 34 0.317 15.708 16.845 1.00 0.00 C ATOM 1576 O THR B 34 0.652 15.811 15.662 1.00 0.00 O ATOM 1577 CB THR B 34 0.077 18.064 17.711 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.461 18.975 18.727 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.448 17.953 17.800 1.00 0.00 C ATOM 0 H THR B 34 2.615 17.085 16.906 1.00 0.00 H new ATOM 0 HA THR B 34 0.552 16.324 18.877 1.00 0.00 H new ATOM 0 HB THR B 34 0.362 18.405 16.716 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.006 19.827 18.596 1.00 0.00 H new ATOM 0 HG21 THR B 34 -1.893 18.939 17.664 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.810 17.281 17.022 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.728 17.560 18.777 1.00 0.00 H new ATOM 1587 N THR B 35 -0.483 14.725 17.276 1.00 0.00 N ATOM 1588 CA THR B 35 -1.098 13.698 16.412 1.00 0.00 C ATOM 1589 C THR B 35 -2.429 14.156 15.801 1.00 0.00 C ATOM 1590 O THR B 35 -3.065 15.093 16.294 1.00 0.00 O ATOM 1591 CB THR B 35 -1.322 12.375 17.166 1.00 0.00 C ATOM 1592 OG1 THR B 35 -2.303 12.534 18.165 1.00 0.00 O ATOM 1593 CG2 THR B 35 -0.050 11.824 17.813 1.00 0.00 C ATOM 0 H THR B 35 -0.730 14.615 18.260 1.00 0.00 H new ATOM 0 HA THR B 35 -0.385 13.537 15.603 1.00 0.00 H new ATOM 0 HB THR B 35 -1.651 11.658 16.414 1.00 0.00 H new ATOM 0 HG1 THR B 35 -1.991 13.183 18.829 1.00 0.00 H new ATOM 0 HG21 THR B 35 -0.278 10.891 18.328 1.00 0.00 H new ATOM 0 HG22 THR B 35 0.699 11.640 17.043 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.337 12.548 18.530 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.915 13.461 14.760 1.00 0.00 N ATOM 1602 CA LEU B 36 -4.262 13.688 14.207 1.00 0.00 C ATOM 1603 C LEU B 36 -5.408 13.237 15.141 1.00 0.00 C ATOM 1604 O LEU B 36 -6.573 13.576 14.912 1.00 0.00 O ATOM 1605 CB LEU B 36 -4.384 13.122 12.781 1.00 0.00 C ATOM 1606 CG LEU B 36 -4.744 11.633 12.628 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -4.905 11.337 11.134 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -3.656 10.714 13.169 1.00 0.00 C ATOM 0 H LEU B 36 -2.390 12.730 14.280 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.386 14.769 14.137 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.138 13.705 12.253 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.436 13.291 12.271 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.658 11.448 13.193 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.161 10.286 10.997 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.699 11.960 10.723 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.970 11.553 10.617 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.959 9.675 13.037 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -2.727 10.893 12.628 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.503 10.916 14.229 1.00 0.00 H new ATOM 1620 N PHE B 37 -5.088 12.508 16.217 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.991 12.185 17.332 1.00 0.00 C ATOM 1622 C PHE B 37 -6.018 13.290 18.420 1.00 0.00 C ATOM 1623 O PHE B 37 -6.603 13.091 19.486 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.593 10.825 17.924 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.476 9.712 16.900 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -4.221 9.139 16.614 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -6.620 9.271 16.211 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -4.118 8.112 15.657 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -6.511 8.254 15.244 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.259 7.671 14.966 1.00 0.00 C ATOM 0 H PHE B 37 -4.157 12.111 16.341 1.00 0.00 H new ATOM 0 HA PHE B 37 -7.007 12.130 16.942 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.639 10.931 18.440 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.330 10.538 18.674 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -3.338 9.488 17.129 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -7.582 9.713 16.424 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -3.158 7.661 15.453 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -7.390 7.919 14.713 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.177 6.889 14.226 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.366 14.436 18.167 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.165 15.606 19.043 1.00 0.00 C ATOM 1642 C ASP B 38 -4.446 15.336 20.383 1.00 0.00 C ATOM 1643 O ASP B 38 -4.375 16.216 21.244 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.439 16.481 19.140 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.600 15.889 19.964 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -8.705 15.700 19.394 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -7.459 15.682 21.194 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.924 14.583 17.259 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.418 16.216 18.534 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -6.164 17.442 19.574 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -6.799 16.678 18.130 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.815 14.165 20.537 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.827 13.912 21.594 1.00 0.00 C ATOM 1654 C GLU B 39 -1.533 14.700 21.328 1.00 0.00 C ATOM 1655 O GLU B 39 -1.084 14.814 20.181 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.522 12.411 21.751 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.773 11.576 22.064 1.00 0.00 C ATOM 1658 CD GLU B 39 -3.433 10.146 22.544 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -2.402 9.558 22.130 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -4.216 9.579 23.348 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.976 13.362 19.929 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.262 14.257 22.532 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.064 12.041 20.834 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.792 12.275 22.549 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.360 12.082 22.831 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -4.397 11.516 21.172 1.00 0.00 H new ATOM 1667 N GLU B 40 -0.919 15.228 22.388 1.00 0.00 N ATOM 1668 CA GLU B 40 0.259 16.098 22.328 1.00 0.00 C ATOM 1669 C GLU B 40 1.376 15.626 23.277 1.00 0.00 C ATOM 1670 O GLU B 40 1.117 15.148 24.387 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.158 17.553 22.607 1.00 0.00 C ATOM 1672 CG GLU B 40 0.993 18.572 22.508 1.00 0.00 C ATOM 1673 CD GLU B 40 0.530 20.038 22.633 1.00 0.00 C ATOM 1674 OE1 GLU B 40 1.355 20.947 22.375 1.00 0.00 O ATOM 1675 OE2 GLU B 40 -0.635 20.317 23.011 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.237 15.057 23.342 1.00 0.00 H new ATOM 0 HA GLU B 40 0.678 16.044 21.323 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -0.940 17.836 21.902 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.593 17.609 23.605 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.722 18.362 23.291 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.503 18.441 21.554 1.00 0.00 H new ATOM 1682 N HIS B 41 2.624 15.806 22.845 1.00 0.00 N ATOM 1683 CA HIS B 41 3.859 15.487 23.571 1.00 0.00 C ATOM 1684 C HIS B 41 4.827 16.674 23.486 1.00 0.00 C ATOM 1685 O HIS B 41 4.817 17.407 22.495 1.00 0.00 O ATOM 1686 CB HIS B 41 4.501 14.222 22.974 1.00 0.00 C ATOM 1687 CG HIS B 41 3.560 13.049 22.817 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.314 12.060 23.771 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.809 12.788 21.704 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.419 11.227 23.210 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.099 11.636 21.969 1.00 0.00 N ATOM 0 H HIS B 41 2.814 16.202 21.924 1.00 0.00 H new ATOM 0 HA HIS B 41 3.628 15.298 24.619 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.918 14.469 21.998 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.334 13.920 23.609 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.778 13.370 20.795 1.00 0.00 H new ATOM 0 HE1 HIS B 41 2.013 10.349 23.691 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.446 11.175 21.335 1.00 0.00 H new ATOM 1699 N ALA B 42 5.673 16.857 24.498 1.00 0.00 N ATOM 1700 CA ALA B 42 6.667 17.931 24.540 1.00 0.00 C ATOM 1701 C ALA B 42 8.001 17.482 25.169 1.00 0.00 C ATOM 1702 O ALA B 42 8.022 16.703 26.129 1.00 0.00 O ATOM 1703 CB ALA B 42 6.066 19.136 25.276 1.00 0.00 C ATOM 0 H ALA B 42 5.689 16.257 25.323 1.00 0.00 H new ATOM 0 HA ALA B 42 6.912 18.216 23.517 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.799 19.942 25.313 1.00 0.00 H new ATOM 0 HB2 ALA B 42 5.176 19.478 24.748 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.796 18.845 26.291 1.00 0.00 H new ATOM 1709 N PHE B 43 9.109 18.008 24.638 1.00 0.00 N ATOM 1710 CA PHE B 43 10.479 17.599 24.963 1.00 0.00 C ATOM 1711 C PHE B 43 11.404 18.828 25.104 1.00 0.00 C ATOM 1712 O PHE B 43 11.692 19.490 24.098 1.00 0.00 O ATOM 1713 CB PHE B 43 10.992 16.634 23.879 1.00 0.00 C ATOM 1714 CG PHE B 43 10.150 15.382 23.715 1.00 0.00 C ATOM 1715 CD1 PHE B 43 10.349 14.280 24.571 1.00 0.00 C ATOM 1716 CD2 PHE B 43 9.131 15.335 22.743 1.00 0.00 C ATOM 1717 CE1 PHE B 43 9.532 13.140 24.451 1.00 0.00 C ATOM 1718 CE2 PHE B 43 8.313 14.202 22.633 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.509 13.101 23.489 1.00 0.00 C ATOM 0 H PHE B 43 9.076 18.756 23.946 1.00 0.00 H new ATOM 0 HA PHE B 43 10.482 17.084 25.924 1.00 0.00 H new ATOM 0 HB2 PHE B 43 11.029 17.162 22.926 1.00 0.00 H new ATOM 0 HB3 PHE B 43 12.014 16.342 24.121 1.00 0.00 H new ATOM 0 HD1 PHE B 43 11.128 14.310 25.319 1.00 0.00 H new ATOM 0 HD2 PHE B 43 8.980 16.175 22.081 1.00 0.00 H new ATOM 0 HE1 PHE B 43 9.692 12.292 25.101 1.00 0.00 H new ATOM 0 HE2 PHE B 43 7.530 14.173 21.890 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.875 12.230 23.406 1.00 0.00 H new ATOM 1729 N PRO B 44 11.873 19.168 26.320 1.00 0.00 N ATOM 1730 CA PRO B 44 12.769 20.303 26.540 1.00 0.00 C ATOM 1731 C PRO B 44 14.190 20.031 26.011 1.00 0.00 C ATOM 1732 O PRO B 44 14.691 18.901 26.050 1.00 0.00 O ATOM 1733 CB PRO B 44 12.746 20.560 28.048 1.00 0.00 C ATOM 1734 CG PRO B 44 12.484 19.173 28.628 1.00 0.00 C ATOM 1735 CD PRO B 44 11.564 18.531 27.593 1.00 0.00 C ATOM 0 HA PRO B 44 12.438 21.183 25.988 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.691 20.974 28.401 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.965 21.268 28.325 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.407 18.607 28.752 1.00 0.00 H new ATOM 0 HG3 PRO B 44 12.010 19.229 29.608 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.730 17.455 27.540 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.517 18.679 27.858 1.00 0.00 H new ATOM 1743 N GLY B 45 14.856 21.092 25.548 1.00 0.00 N ATOM 1744 CA GLY B 45 16.261 21.078 25.113 1.00 0.00 C ATOM 1745 C GLY B 45 16.491 20.548 23.690 1.00 0.00 C ATOM 1746 O GLY B 45 17.641 20.442 23.262 1.00 0.00 O ATOM 0 H GLY B 45 14.423 22.012 25.462 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.656 22.092 25.176 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.836 20.468 25.810 1.00 0.00 H new ATOM 1750 N LEU B 46 15.424 20.218 22.950 1.00 0.00 N ATOM 1751 CA LEU B 46 15.503 19.767 21.555 1.00 0.00 C ATOM 1752 C LEU B 46 15.229 20.892 20.542 1.00 0.00 C ATOM 1753 O LEU B 46 14.658 21.938 20.870 1.00 0.00 O ATOM 1754 CB LEU B 46 14.545 18.574 21.327 1.00 0.00 C ATOM 1755 CG LEU B 46 14.787 17.345 22.229 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.903 16.193 21.747 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.232 16.844 22.210 1.00 0.00 C ATOM 0 H LEU B 46 14.470 20.257 23.308 1.00 0.00 H new ATOM 0 HA LEU B 46 16.530 19.445 21.381 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.522 18.918 21.479 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.625 18.260 20.286 1.00 0.00 H new ATOM 0 HG LEU B 46 14.553 17.662 23.245 1.00 0.00 H new ATOM 0 HD11 LEU B 46 14.067 15.320 22.378 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.856 16.490 21.803 1.00 0.00 H new ATOM 0 HD13 LEU B 46 14.156 15.947 20.715 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.326 15.979 22.867 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.505 16.559 21.194 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.896 17.636 22.556 1.00 0.00 H new ATOM 1769 N ALA B 47 15.598 20.627 19.291 1.00 0.00 N ATOM 1770 CA ALA B 47 15.217 21.352 18.080 1.00 0.00 C ATOM 1771 C ALA B 47 14.915 20.358 16.937 1.00 0.00 C ATOM 1772 O ALA B 47 15.358 19.206 16.964 1.00 0.00 O ATOM 1773 CB ALA B 47 16.344 22.325 17.701 1.00 0.00 C ATOM 0 H ALA B 47 16.216 19.843 19.081 1.00 0.00 H new ATOM 0 HA ALA B 47 14.309 21.927 18.260 1.00 0.00 H new ATOM 0 HB1 ALA B 47 16.067 22.869 16.798 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.504 23.031 18.516 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.262 21.766 17.520 1.00 0.00 H new ATOM 1779 N ILE B 48 14.172 20.800 15.918 1.00 0.00 N ATOM 1780 CA ILE B 48 13.869 19.997 14.721 1.00 0.00 C ATOM 1781 C ILE B 48 15.139 19.922 13.853 1.00 0.00 C ATOM 1782 O ILE B 48 15.617 20.940 13.345 1.00 0.00 O ATOM 1783 CB ILE B 48 12.650 20.565 13.944 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.385 20.649 14.837 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.377 19.691 12.706 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.267 21.519 14.233 1.00 0.00 C ATOM 0 H ILE B 48 13.759 21.732 15.897 1.00 0.00 H new ATOM 0 HA ILE B 48 13.582 18.988 15.015 1.00 0.00 H new ATOM 0 HB ILE B 48 12.891 21.581 13.630 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.001 19.643 15.006 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.663 21.052 15.811 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.521 20.090 12.161 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.254 19.694 12.058 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.162 18.670 13.022 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.412 21.534 14.909 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.634 22.535 14.089 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.962 21.104 13.272 1.00 0.00 H new ATOM 1798 N GLY B 49 15.707 18.720 13.710 1.00 0.00 N ATOM 1799 CA GLY B 49 16.998 18.489 13.048 1.00 0.00 C ATOM 1800 C GLY B 49 16.886 18.082 11.575 1.00 0.00 C ATOM 1801 O GLY B 49 17.636 18.589 10.737 1.00 0.00 O ATOM 0 H GLY B 49 15.275 17.864 14.057 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.597 19.397 13.118 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.536 17.710 13.588 1.00 0.00 H new ATOM 1805 N ARG B 50 15.942 17.188 11.250 1.00 0.00 N ATOM 1806 CA ARG B 50 15.720 16.655 9.894 1.00 0.00 C ATOM 1807 C ARG B 50 14.247 16.371 9.623 1.00 0.00 C ATOM 1808 O ARG B 50 13.526 15.939 10.521 1.00 0.00 O ATOM 1809 CB ARG B 50 16.566 15.382 9.684 1.00 0.00 C ATOM 1810 CG ARG B 50 17.200 15.370 8.289 1.00 0.00 C ATOM 1811 CD ARG B 50 17.867 14.023 7.975 1.00 0.00 C ATOM 1812 NE ARG B 50 18.744 14.104 6.785 1.00 0.00 N ATOM 1813 CZ ARG B 50 18.383 14.226 5.517 1.00 0.00 C ATOM 1814 NH1 ARG B 50 19.269 14.361 4.576 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 17.153 14.230 5.106 1.00 0.00 N ATOM 0 H ARG B 50 15.294 16.804 11.938 1.00 0.00 H new ATOM 0 HA ARG B 50 16.034 17.418 9.182 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.347 15.330 10.443 1.00 0.00 H new ATOM 0 HB3 ARG B 50 15.939 14.499 9.811 1.00 0.00 H new ATOM 0 HG2 ARG B 50 16.435 15.580 7.541 1.00 0.00 H new ATOM 0 HG3 ARG B 50 17.941 16.167 8.220 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.452 13.699 8.836 1.00 0.00 H new ATOM 0 HD3 ARG B 50 17.099 13.268 7.809 1.00 0.00 H new ATOM 0 HE ARG B 50 19.747 14.061 6.963 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.262 14.374 4.809 1.00 0.00 H new ATOM 0 HH12 ARG B 50 18.971 14.454 3.605 1.00 0.00 H new ATOM 0 HH21 ARG B 50 16.391 14.135 5.777 1.00 0.00 H new ATOM 0 HH22 ARG B 50 16.948 14.328 4.112 1.00 0.00 H new ATOM 1829 N VAL B 51 13.814 16.582 8.383 1.00 0.00 N ATOM 1830 CA VAL B 51 12.436 16.368 7.908 1.00 0.00 C ATOM 1831 C VAL B 51 12.478 15.661 6.553 1.00 0.00 C ATOM 1832 O VAL B 51 12.948 16.228 5.565 1.00 0.00 O ATOM 1833 CB VAL B 51 11.665 17.696 7.805 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.193 17.464 7.440 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.716 18.511 9.102 1.00 0.00 C ATOM 0 H VAL B 51 14.433 16.920 7.646 1.00 0.00 H new ATOM 0 HA VAL B 51 11.908 15.744 8.629 1.00 0.00 H new ATOM 0 HB VAL B 51 12.162 18.260 7.016 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.679 18.423 7.376 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.133 16.955 6.478 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.721 16.849 8.206 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.156 19.437 8.972 1.00 0.00 H new ATOM 0 HG22 VAL B 51 11.276 17.931 9.913 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.753 18.745 9.344 1.00 0.00 H new ATOM 1845 N ASP B 52 11.986 14.425 6.499 1.00 0.00 N ATOM 1846 CA ASP B 52 12.061 13.531 5.338 1.00 0.00 C ATOM 1847 C ASP B 52 10.644 13.248 4.806 1.00 0.00 C ATOM 1848 O ASP B 52 9.955 12.350 5.295 1.00 0.00 O ATOM 1849 CB ASP B 52 12.780 12.219 5.725 1.00 0.00 C ATOM 1850 CG ASP B 52 14.188 12.356 6.340 1.00 0.00 C ATOM 1851 OD1 ASP B 52 14.807 13.447 6.312 1.00 0.00 O ATOM 1852 OD2 ASP B 52 14.704 11.331 6.852 1.00 0.00 O1- ATOM 0 H ASP B 52 11.505 13.999 7.291 1.00 0.00 H new ATOM 0 HA ASP B 52 12.636 14.012 4.547 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.150 11.682 6.434 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.857 11.597 4.833 1.00 0.00 H new ATOM 1857 N LEU B 53 10.181 14.033 3.824 1.00 0.00 N ATOM 1858 CA LEU B 53 8.796 13.960 3.339 1.00 0.00 C ATOM 1859 C LEU B 53 8.513 12.659 2.561 1.00 0.00 C ATOM 1860 O LEU B 53 7.430 12.081 2.702 1.00 0.00 O ATOM 1861 CB LEU B 53 8.447 15.194 2.481 1.00 0.00 C ATOM 1862 CG LEU B 53 8.429 16.592 3.141 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.643 16.614 4.452 1.00 0.00 C ATOM 1864 CD2 LEU B 53 9.812 17.206 3.375 1.00 0.00 C ATOM 0 H LEU B 53 10.751 14.731 3.346 1.00 0.00 H new ATOM 0 HA LEU B 53 8.154 13.953 4.220 1.00 0.00 H new ATOM 0 HB2 LEU B 53 9.157 15.231 1.655 1.00 0.00 H new ATOM 0 HB3 LEU B 53 7.462 15.024 2.047 1.00 0.00 H new ATOM 0 HG LEU B 53 7.921 17.211 2.402 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.663 17.620 4.872 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.610 16.321 4.262 1.00 0.00 H new ATOM 0 HD13 LEU B 53 8.094 15.917 5.158 1.00 0.00 H new ATOM 0 HD21 LEU B 53 9.701 18.185 3.841 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.393 16.556 4.030 1.00 0.00 H new ATOM 0 HD23 LEU B 53 10.328 17.315 2.421 1.00 0.00 H new ATOM 1876 N ARG B 54 9.502 12.145 1.818 1.00 0.00 N ATOM 1877 CA ARG B 54 9.444 10.831 1.151 1.00 0.00 C ATOM 1878 C ARG B 54 9.256 9.681 2.146 1.00 0.00 C ATOM 1879 O ARG B 54 8.424 8.798 1.922 1.00 0.00 O ATOM 1880 CB ARG B 54 10.714 10.630 0.297 1.00 0.00 C ATOM 1881 CG ARG B 54 10.737 9.271 -0.428 1.00 0.00 C ATOM 1882 CD ARG B 54 11.817 9.191 -1.518 1.00 0.00 C ATOM 1883 NE ARG B 54 13.179 9.350 -0.970 1.00 0.00 N ATOM 1884 CZ ARG B 54 14.293 9.517 -1.660 1.00 0.00 C ATOM 1885 NH1 ARG B 54 14.313 9.537 -2.965 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 15.427 9.670 -1.040 1.00 0.00 N ATOM 0 H ARG B 54 10.381 12.637 1.659 1.00 0.00 H new ATOM 0 HA ARG B 54 8.569 10.819 0.502 1.00 0.00 H new ATOM 0 HB2 ARG B 54 10.782 11.431 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.593 10.710 0.937 1.00 0.00 H new ATOM 0 HG2 ARG B 54 10.905 8.479 0.302 1.00 0.00 H new ATOM 0 HG3 ARG B 54 9.761 9.088 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG B 54 11.743 8.231 -2.030 1.00 0.00 H new ATOM 0 HD3 ARG B 54 11.635 9.965 -2.264 1.00 0.00 H new ATOM 0 HE ARG B 54 13.269 9.329 0.046 1.00 0.00 H new ATOM 0 HH11 ARG B 54 13.446 9.421 -3.490 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.195 9.669 -3.460 1.00 0.00 H new ATOM 0 HH21 ARG B 54 15.456 9.661 -0.020 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.287 9.799 -1.574 1.00 0.00 H new ATOM 1900 N SER B 55 10.010 9.700 3.244 1.00 0.00 N ATOM 1901 CA SER B 55 10.010 8.649 4.280 1.00 0.00 C ATOM 1902 C SER B 55 8.865 8.783 5.292 1.00 0.00 C ATOM 1903 O SER B 55 8.461 7.784 5.897 1.00 0.00 O ATOM 1904 CB SER B 55 11.351 8.660 5.034 1.00 0.00 C ATOM 1905 OG SER B 55 12.442 8.552 4.130 1.00 0.00 O ATOM 0 H SER B 55 10.656 10.462 3.450 1.00 0.00 H new ATOM 0 HA SER B 55 9.863 7.705 3.756 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.441 9.581 5.611 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.380 7.834 5.745 1.00 0.00 H new ATOM 0 HG SER B 55 13.284 8.563 4.631 1.00 0.00 H new ATOM 1911 N GLY B 56 8.338 9.998 5.497 1.00 0.00 N ATOM 1912 CA GLY B 56 7.378 10.315 6.556 1.00 0.00 C ATOM 1913 C GLY B 56 8.006 10.345 7.954 1.00 0.00 C ATOM 1914 O GLY B 56 7.411 9.839 8.903 1.00 0.00 O ATOM 0 H GLY B 56 8.574 10.803 4.917 1.00 0.00 H new ATOM 0 HA2 GLY B 56 6.925 11.284 6.348 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.575 9.578 6.542 1.00 0.00 H new ATOM 1918 N VAL B 57 9.225 10.889 8.083 1.00 0.00 N ATOM 1919 CA VAL B 57 10.021 10.873 9.329 1.00 0.00 C ATOM 1920 C VAL B 57 10.546 12.263 9.686 1.00 0.00 C ATOM 1921 O VAL B 57 11.029 12.994 8.816 1.00 0.00 O ATOM 1922 CB VAL B 57 11.174 9.846 9.255 1.00 0.00 C ATOM 1923 CG1 VAL B 57 11.973 9.766 10.568 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.658 8.426 8.965 1.00 0.00 C ATOM 0 H VAL B 57 9.698 11.362 7.313 1.00 0.00 H new ATOM 0 HA VAL B 57 9.350 10.561 10.129 1.00 0.00 H new ATOM 0 HB VAL B 57 11.813 10.199 8.445 1.00 0.00 H new ATOM 0 HG11 VAL B 57 12.771 9.031 10.464 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.405 10.742 10.791 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.309 9.469 11.380 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.500 7.735 8.921 1.00 0.00 H new ATOM 0 HG22 VAL B 57 9.976 8.118 9.758 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.132 8.418 8.010 1.00 0.00 H new ATOM 1934 N ILE B 58 10.491 12.612 10.972 1.00 0.00 N ATOM 1935 CA ILE B 58 11.047 13.839 11.560 1.00 0.00 C ATOM 1936 C ILE B 58 12.045 13.450 12.662 1.00 0.00 C ATOM 1937 O ILE B 58 11.672 12.796 13.638 1.00 0.00 O ATOM 1938 CB ILE B 58 9.907 14.748 12.078 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.012 15.226 10.909 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.472 15.957 12.850 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.689 15.849 11.354 1.00 0.00 C ATOM 0 H ILE B 58 10.037 12.021 11.668 1.00 0.00 H new ATOM 0 HA ILE B 58 11.584 14.417 10.808 1.00 0.00 H new ATOM 0 HB ILE B 58 9.296 14.160 12.763 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.564 15.956 10.317 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.802 14.379 10.256 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.650 16.580 13.203 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.053 15.605 13.703 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.113 16.542 12.191 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.119 16.158 10.478 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.114 15.116 11.920 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.889 16.717 11.982 1.00 0.00 H new ATOM 1953 N SER B 59 13.309 13.851 12.516 1.00 0.00 N ATOM 1954 CA SER B 59 14.379 13.594 13.494 1.00 0.00 C ATOM 1955 C SER B 59 14.672 14.836 14.331 1.00 0.00 C ATOM 1956 O SER B 59 14.933 15.909 13.777 1.00 0.00 O ATOM 1957 CB SER B 59 15.665 13.135 12.798 1.00 0.00 C ATOM 1958 OG SER B 59 15.453 11.946 12.056 1.00 0.00 O ATOM 0 H SER B 59 13.628 14.374 11.701 1.00 0.00 H new ATOM 0 HA SER B 59 14.028 12.799 14.152 1.00 0.00 H new ATOM 0 HB2 SER B 59 16.022 13.922 12.134 1.00 0.00 H new ATOM 0 HB3 SER B 59 16.444 12.968 13.542 1.00 0.00 H new ATOM 0 HG SER B 59 16.290 11.678 11.622 1.00 0.00 H new ATOM 1964 N LEU B 60 14.653 14.703 15.658 1.00 0.00 N ATOM 1965 CA LEU B 60 15.005 15.779 16.593 1.00 0.00 C ATOM 1966 C LEU B 60 16.459 15.655 17.070 1.00 0.00 C ATOM 1967 O LEU B 60 17.015 14.552 17.156 1.00 0.00 O ATOM 1968 CB LEU B 60 14.017 15.815 17.773 1.00 0.00 C ATOM 1969 CG LEU B 60 12.522 15.837 17.392 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.683 15.989 18.660 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.152 16.976 16.444 1.00 0.00 C ATOM 0 H LEU B 60 14.389 13.834 16.122 1.00 0.00 H new ATOM 0 HA LEU B 60 14.926 16.729 16.064 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.200 14.945 18.403 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.232 16.697 18.377 1.00 0.00 H new ATOM 0 HG LEU B 60 12.321 14.898 16.876 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.625 16.005 18.397 1.00 0.00 H new ATOM 0 HD12 LEU B 60 11.878 15.150 19.328 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.946 16.920 19.161 1.00 0.00 H new ATOM 0 HD21 LEU B 60 11.087 16.930 16.219 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.383 17.931 16.916 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.723 16.880 15.520 1.00 0.00 H new ATOM 1983 N ILE B 61 17.071 16.795 17.405 1.00 0.00 N ATOM 1984 CA ILE B 61 18.467 16.928 17.873 1.00 0.00 C ATOM 1985 C ILE B 61 18.552 17.857 19.092 1.00 0.00 C ATOM 1986 O ILE B 61 17.657 18.665 19.333 1.00 0.00 O ATOM 1987 CB ILE B 61 19.406 17.404 16.737 1.00 0.00 C ATOM 1988 CG1 ILE B 61 19.062 18.819 16.211 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.433 16.381 15.587 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.962 19.928 16.766 1.00 0.00 C ATOM 0 H ILE B 61 16.591 17.694 17.358 1.00 0.00 H new ATOM 0 HA ILE B 61 18.807 15.939 18.181 1.00 0.00 H new ATOM 0 HB ILE B 61 20.403 17.475 17.171 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.133 18.818 15.123 1.00 0.00 H new ATOM 0 HG13 ILE B 61 18.026 19.047 16.462 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.099 16.736 14.800 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.792 15.422 15.961 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.427 16.260 15.184 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.656 20.888 16.349 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.873 19.959 17.852 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.998 19.727 16.492 1.00 0.00 H new ATOM 2002 N GLU B 62 19.632 17.766 19.867 1.00 0.00 N ATOM 2003 CA GLU B 62 19.862 18.607 21.057 1.00 0.00 C ATOM 2004 C GLU B 62 20.268 20.039 20.665 1.00 0.00 C ATOM 2005 O GLU B 62 21.288 20.252 20.005 1.00 0.00 O ATOM 2006 CB GLU B 62 20.928 17.974 21.969 1.00 0.00 C ATOM 2007 CG GLU B 62 20.481 16.630 22.565 1.00 0.00 C ATOM 2008 CD GLU B 62 21.478 16.085 23.611 1.00 0.00 C ATOM 2009 OE1 GLU B 62 21.029 15.545 24.652 1.00 0.00 O ATOM 2010 OE2 GLU B 62 22.716 16.178 23.404 1.00 0.00 O1- ATOM 0 H GLU B 62 20.385 17.101 19.690 1.00 0.00 H new ATOM 0 HA GLU B 62 18.923 18.667 21.607 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.845 17.826 21.399 1.00 0.00 H new ATOM 0 HB3 GLU B 62 21.163 18.665 22.779 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.502 16.750 23.029 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.366 15.901 21.763 1.00 0.00 H new