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= -0.385 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.13) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00176 USER MOD Single : A 41 HIS : no HD1:sc= -0.0228 X(o=-0.023,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 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 146:sc= 0.865 (180deg=0.251) 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= -0.0624 X(o=-0.062,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 5.578 11.682 0.894 1.00 0.00 N ATOM 60 CA CYS A 2 4.862 12.958 0.943 1.00 0.00 C ATOM 61 C CYS A 2 5.780 14.090 0.425 1.00 0.00 C ATOM 62 O CYS A 2 6.999 13.924 0.321 1.00 0.00 O ATOM 63 CB CYS A 2 4.388 13.192 2.385 1.00 0.00 C ATOM 64 SG CYS A 2 3.438 14.713 2.672 1.00 0.00 S ATOM 0 HA CYS A 2 3.985 12.944 0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.776 12.342 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.262 13.204 3.036 1.00 0.00 H new ATOM 0 HG CYS A 2 3.100 14.784 3.925 1.00 0.00 H new ATOM 69 N MET A 3 5.211 15.263 0.119 1.00 0.00 N ATOM 70 CA MET A 3 5.957 16.499 -0.165 1.00 0.00 C ATOM 71 C MET A 3 5.217 17.741 0.365 1.00 0.00 C ATOM 72 O MET A 3 3.992 17.747 0.493 1.00 0.00 O ATOM 73 CB MET A 3 6.295 16.604 -1.658 1.00 0.00 C ATOM 74 CG MET A 3 5.080 16.862 -2.551 1.00 0.00 C ATOM 75 SD MET A 3 5.512 16.883 -4.315 1.00 0.00 S ATOM 76 CE MET A 3 3.916 17.378 -5.014 1.00 0.00 C ATOM 0 H MET A 3 4.200 15.383 0.060 1.00 0.00 H new ATOM 0 HA MET A 3 6.904 16.456 0.373 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.017 17.408 -1.802 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.779 15.681 -1.977 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.330 16.091 -2.372 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.628 17.816 -2.279 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.998 17.442 -6.099 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.159 16.640 -4.750 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.630 18.351 -4.614 1.00 0.00 H new ATOM 86 N ALA A 4 5.978 18.791 0.674 1.00 0.00 N ATOM 87 CA ALA A 4 5.501 20.054 1.248 1.00 0.00 C ATOM 88 C ALA A 4 5.999 21.278 0.448 1.00 0.00 C ATOM 89 O ALA A 4 6.664 21.141 -0.584 1.00 0.00 O ATOM 90 CB ALA A 4 5.955 20.095 2.716 1.00 0.00 C ATOM 0 H ALA A 4 6.987 18.787 0.526 1.00 0.00 H new ATOM 0 HA ALA A 4 4.413 20.102 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.617 21.024 3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.528 19.248 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.043 20.043 2.762 1.00 0.00 H new ATOM 96 N LYS A 5 5.716 22.488 0.947 1.00 0.00 N ATOM 97 CA LYS A 5 6.372 23.730 0.507 1.00 0.00 C ATOM 98 C LYS A 5 7.051 24.454 1.672 1.00 0.00 C ATOM 99 O LYS A 5 6.488 24.552 2.764 1.00 0.00 O ATOM 100 CB LYS A 5 5.404 24.620 -0.293 1.00 0.00 C ATOM 101 CG LYS A 5 4.268 25.254 0.529 1.00 0.00 C ATOM 102 CD LYS A 5 3.353 26.073 -0.389 1.00 0.00 C ATOM 103 CE LYS A 5 2.252 26.806 0.377 1.00 0.00 C ATOM 104 NZ LYS A 5 2.782 27.943 1.173 1.00 0.00 N1+ ATOM 0 H LYS A 5 5.018 22.636 1.676 1.00 0.00 H new ATOM 0 HA LYS A 5 7.175 23.466 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.976 25.417 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.964 24.024 -1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.692 24.476 1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.684 25.894 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.952 26.799 -0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.898 25.411 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.506 27.174 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.745 26.105 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.990 28.501 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.356 27.578 1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.372 28.547 0.566 1.00 0.00 H new ATOM 118 N VAL A 6 8.264 24.951 1.439 1.00 0.00 N ATOM 119 CA VAL A 6 9.010 25.792 2.389 1.00 0.00 C ATOM 120 C VAL A 6 8.549 27.247 2.279 1.00 0.00 C ATOM 121 O VAL A 6 8.276 27.723 1.176 1.00 0.00 O ATOM 122 CB VAL A 6 10.535 25.645 2.196 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.387 26.734 2.874 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.985 24.304 2.788 1.00 0.00 C ATOM 0 H VAL A 6 8.770 24.781 0.570 1.00 0.00 H new ATOM 0 HA VAL A 6 8.794 25.450 3.401 1.00 0.00 H new ATOM 0 HB VAL A 6 10.694 25.727 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.443 26.543 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.115 27.711 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.207 26.720 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.061 24.191 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.744 24.276 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.470 23.490 2.278 1.00 0.00 H new ATOM 134 N VAL A 7 8.517 27.962 3.405 1.00 0.00 N ATOM 135 CA VAL A 7 8.286 29.416 3.485 1.00 0.00 C ATOM 136 C VAL A 7 9.244 30.087 4.482 1.00 0.00 C ATOM 137 O VAL A 7 9.517 29.565 5.568 1.00 0.00 O ATOM 138 CB VAL A 7 6.802 29.736 3.769 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.265 29.145 5.079 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.543 31.246 3.780 1.00 0.00 C ATOM 0 H VAL A 7 8.655 27.535 4.321 1.00 0.00 H new ATOM 0 HA VAL A 7 8.513 29.845 2.509 1.00 0.00 H new ATOM 0 HB VAL A 7 6.266 29.259 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.217 29.418 5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.356 28.059 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.840 29.537 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.488 31.433 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.150 31.714 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.806 31.667 2.810 1.00 0.00 H new ATOM 150 N LEU A 8 9.769 31.251 4.092 1.00 0.00 N ATOM 151 CA LEU A 8 10.664 32.111 4.881 1.00 0.00 C ATOM 152 C LEU A 8 10.489 33.584 4.456 1.00 0.00 C ATOM 153 O LEU A 8 9.947 33.867 3.382 1.00 0.00 O ATOM 154 CB LEU A 8 12.117 31.605 4.740 1.00 0.00 C ATOM 155 CG LEU A 8 12.748 31.763 3.337 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.608 33.032 3.235 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.662 30.577 3.026 1.00 0.00 C ATOM 0 H LEU A 8 9.573 31.642 3.171 1.00 0.00 H new ATOM 0 HA LEU A 8 10.408 32.061 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.739 32.137 5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.143 30.550 5.014 1.00 0.00 H new ATOM 0 HG LEU A 8 11.919 31.820 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.032 33.104 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.989 33.908 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.414 32.985 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.098 30.704 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.458 30.526 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.082 29.654 3.052 1.00 0.00 H new ATOM 265 N VAL A 16 9.688 34.490 0.585 1.00 0.00 N ATOM 266 CA VAL A 16 10.289 33.504 -0.335 1.00 0.00 C ATOM 267 C VAL A 16 9.684 32.129 -0.049 1.00 0.00 C ATOM 268 O VAL A 16 9.521 31.743 1.110 1.00 0.00 O ATOM 269 CB VAL A 16 11.829 33.482 -0.196 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.500 32.397 -1.044 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.446 34.835 -0.571 1.00 0.00 C ATOM 0 HA VAL A 16 10.068 33.785 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 16 12.013 33.259 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.580 32.438 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.130 31.418 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.269 32.563 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.529 34.784 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.196 35.075 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.051 35.610 0.087 1.00 0.00 H new ATOM 281 N GLU A 17 9.345 31.386 -1.103 1.00 0.00 N ATOM 282 CA GLU A 17 8.752 30.044 -1.021 1.00 0.00 C ATOM 283 C GLU A 17 9.362 29.070 -2.039 1.00 0.00 C ATOM 284 O GLU A 17 9.763 29.475 -3.133 1.00 0.00 O ATOM 285 CB GLU A 17 7.220 30.101 -1.181 1.00 0.00 C ATOM 286 CG GLU A 17 6.516 30.918 -0.086 1.00 0.00 C ATOM 287 CD GLU A 17 4.984 30.857 -0.202 1.00 0.00 C ATOM 288 OE1 GLU A 17 4.406 29.742 -0.189 1.00 0.00 O ATOM 289 OE2 GLU A 17 4.350 31.942 -0.260 1.00 0.00 O1- ATOM 0 H GLU A 17 9.477 31.706 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 17 8.985 29.662 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.981 30.531 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.825 29.085 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.819 30.545 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.841 31.957 -0.146 1.00 0.00 H new ATOM 296 N ILE A 18 9.407 27.778 -1.684 1.00 0.00 N ATOM 297 CA ILE A 18 9.888 26.675 -2.539 1.00 0.00 C ATOM 298 C ILE A 18 8.853 25.547 -2.519 1.00 0.00 C ATOM 299 O ILE A 18 8.552 25.020 -1.450 1.00 0.00 O ATOM 300 CB ILE A 18 11.273 26.147 -2.080 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.353 27.252 -2.020 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.762 25.014 -3.011 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.534 26.870 -1.122 1.00 0.00 C ATOM 0 H ILE A 18 9.101 27.458 -0.765 1.00 0.00 H new ATOM 0 HA ILE A 18 10.013 27.052 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 18 11.129 25.768 -1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.717 27.455 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.904 28.175 -1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.735 24.658 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.047 24.191 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.850 25.392 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.263 27.680 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.177 26.694 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.003 25.963 -1.504 1.00 0.00 H new ATOM 315 N GLY A 19 8.313 25.183 -3.683 1.00 0.00 N ATOM 316 CA GLY A 19 7.349 24.085 -3.832 1.00 0.00 C ATOM 317 C GLY A 19 7.993 22.706 -4.021 1.00 0.00 C ATOM 318 O GLY A 19 9.182 22.584 -4.330 1.00 0.00 O ATOM 0 H GLY A 19 8.535 25.648 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.708 24.057 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.706 24.294 -4.687 1.00 0.00 H new ATOM 322 N ASP A 20 7.180 21.652 -3.868 1.00 0.00 N ATOM 323 CA ASP A 20 7.530 20.239 -4.107 1.00 0.00 C ATOM 324 C ASP A 20 8.786 19.769 -3.331 1.00 0.00 C ATOM 325 O ASP A 20 9.634 19.043 -3.849 1.00 0.00 O ATOM 326 CB ASP A 20 7.568 19.920 -5.617 1.00 0.00 C ATOM 327 CG ASP A 20 6.305 20.314 -6.411 1.00 0.00 C ATOM 328 OD1 ASP A 20 6.396 20.373 -7.661 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.219 20.551 -5.823 1.00 0.00 O1- ATOM 0 H ASP A 20 6.214 21.763 -3.560 1.00 0.00 H new ATOM 0 HA ASP A 20 6.726 19.637 -3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.426 20.429 -6.057 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.735 18.850 -5.740 1.00 0.00 H new ATOM 334 N VAL A 21 8.928 20.218 -2.083 1.00 0.00 N ATOM 335 CA VAL A 21 10.040 19.905 -1.170 1.00 0.00 C ATOM 336 C VAL A 21 9.873 18.519 -0.548 1.00 0.00 C ATOM 337 O VAL A 21 8.835 18.222 0.055 1.00 0.00 O ATOM 338 CB VAL A 21 10.167 20.992 -0.079 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.208 20.645 0.987 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.566 22.333 -0.711 1.00 0.00 C ATOM 0 H VAL A 21 8.241 20.840 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 21 10.962 19.894 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 21 9.190 21.057 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.253 21.445 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.929 19.713 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.185 20.530 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.652 23.091 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.524 22.225 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.805 22.637 -1.430 1.00 0.00 H new ATOM 350 N LEU A 22 10.912 17.687 -0.653 1.00 0.00 N ATOM 351 CA LEU A 22 11.016 16.406 0.048 1.00 0.00 C ATOM 352 C LEU A 22 11.758 16.527 1.386 1.00 0.00 C ATOM 353 O LEU A 22 11.408 15.829 2.337 1.00 0.00 O ATOM 354 CB LEU A 22 11.747 15.384 -0.841 1.00 0.00 C ATOM 355 CG LEU A 22 11.033 15.004 -2.148 1.00 0.00 C ATOM 356 CD1 LEU A 22 11.872 13.958 -2.880 1.00 0.00 C ATOM 357 CD2 LEU A 22 9.641 14.426 -1.919 1.00 0.00 C ATOM 0 H LEU A 22 11.721 17.890 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 22 10.000 16.074 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.730 15.784 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.909 14.476 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 22 10.920 15.918 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.376 13.680 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.856 14.372 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.984 13.076 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.188 14.177 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.717 13.526 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.022 15.161 -1.405 1.00 0.00 H new ATOM 369 N GLU A 23 12.788 17.379 1.480 1.00 0.00 N ATOM 370 CA GLU A 23 13.685 17.426 2.645 1.00 0.00 C ATOM 371 C GLU A 23 14.009 18.853 3.089 1.00 0.00 C ATOM 372 O GLU A 23 14.197 19.738 2.253 1.00 0.00 O ATOM 373 CB GLU A 23 15.005 16.670 2.396 1.00 0.00 C ATOM 374 CG GLU A 23 14.835 15.319 1.685 1.00 0.00 C ATOM 375 CD GLU A 23 16.051 14.378 1.777 1.00 0.00 C ATOM 376 OE1 GLU A 23 16.968 14.593 2.606 1.00 0.00 O ATOM 377 OE2 GLU A 23 16.087 13.379 1.016 1.00 0.00 O1- ATOM 0 H GLU A 23 13.023 18.054 0.753 1.00 0.00 H new ATOM 0 HA GLU A 23 13.133 16.931 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.664 17.301 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.501 16.504 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.968 14.810 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.616 15.504 0.633 1.00 0.00 H new ATOM 384 N VAL A 24 14.137 19.058 4.402 1.00 0.00 N ATOM 385 CA VAL A 24 14.574 20.321 5.027 1.00 0.00 C ATOM 386 C VAL A 24 15.472 19.997 6.223 1.00 0.00 C ATOM 387 O VAL A 24 15.112 19.170 7.058 1.00 0.00 O ATOM 388 CB VAL A 24 13.389 21.197 5.475 1.00 0.00 C ATOM 389 CG1 VAL A 24 13.858 22.541 6.032 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.438 21.511 4.313 1.00 0.00 C ATOM 0 H VAL A 24 13.934 18.330 5.087 1.00 0.00 H new ATOM 0 HA VAL A 24 15.124 20.895 4.281 1.00 0.00 H new ATOM 0 HB VAL A 24 12.876 20.618 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.993 23.130 6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.504 22.372 6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.411 23.080 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.617 22.131 4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.981 22.045 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.040 20.581 3.907 1.00 0.00 H new ATOM 400 N ARG A 25 16.652 20.615 6.317 1.00 0.00 N ATOM 401 CA ARG A 25 17.705 20.235 7.273 1.00 0.00 C ATOM 402 C ARG A 25 18.331 21.461 7.930 1.00 0.00 C ATOM 403 O ARG A 25 18.915 22.288 7.236 1.00 0.00 O ATOM 404 CB ARG A 25 18.789 19.411 6.549 1.00 0.00 C ATOM 405 CG ARG A 25 18.301 18.118 5.875 1.00 0.00 C ATOM 406 CD ARG A 25 19.495 17.406 5.228 1.00 0.00 C ATOM 407 NE ARG A 25 19.095 16.132 4.595 1.00 0.00 N ATOM 408 CZ ARG A 25 19.804 15.017 4.524 1.00 0.00 C ATOM 409 NH1 ARG A 25 19.328 13.993 3.882 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 20.986 14.889 5.056 1.00 0.00 N ATOM 0 H ARG A 25 16.910 21.404 5.725 1.00 0.00 H new ATOM 0 HA ARG A 25 17.250 19.632 8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.254 20.042 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.566 19.153 7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 25 17.828 17.467 6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.548 18.348 5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 25 19.946 18.058 4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.257 17.213 5.983 1.00 0.00 H new ATOM 0 HE ARG A 25 18.170 16.110 4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.412 14.051 3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.870 13.131 3.824 1.00 0.00 H new ATOM 0 HH21 ARG A 25 21.407 15.671 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 25 21.490 14.006 4.972 1.00 0.00 H new ATOM 424 N ALA A 26 18.248 21.569 9.251 1.00 0.00 N ATOM 425 CA ALA A 26 19.028 22.534 10.022 1.00 0.00 C ATOM 426 C ALA A 26 20.459 22.007 10.250 1.00 0.00 C ATOM 427 O ALA A 26 20.665 20.838 10.592 1.00 0.00 O ATOM 428 CB ALA A 26 18.310 22.851 11.338 1.00 0.00 C ATOM 0 H ALA A 26 17.635 20.987 9.822 1.00 0.00 H new ATOM 0 HA ALA A 26 19.115 23.465 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.897 23.571 11.908 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.327 23.272 11.124 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.194 21.936 11.919 1.00 0.00 H new ATOM 434 N GLU A 27 21.448 22.877 10.066 1.00 0.00 N ATOM 435 CA GLU A 27 22.885 22.579 10.137 1.00 0.00 C ATOM 436 C GLU A 27 23.623 23.637 10.983 1.00 0.00 C ATOM 437 O GLU A 27 22.998 24.461 11.651 1.00 0.00 O ATOM 438 CB GLU A 27 23.450 22.499 8.701 1.00 0.00 C ATOM 439 CG GLU A 27 22.787 21.448 7.791 1.00 0.00 C ATOM 440 CD GLU A 27 22.891 19.997 8.296 1.00 0.00 C ATOM 441 OE1 GLU A 27 22.087 19.133 7.861 1.00 0.00 O ATOM 442 OE2 GLU A 27 23.793 19.667 9.102 1.00 0.00 O1- ATOM 0 H GLU A 27 21.266 23.858 9.853 1.00 0.00 H new ATOM 0 HA GLU A 27 23.039 21.619 10.629 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.347 23.478 8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.517 22.284 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.734 21.702 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 27 23.241 21.507 6.802 1.00 0.00 H new ATOM 449 N GLY A 28 24.964 23.627 10.964 1.00 0.00 N ATOM 450 CA GLY A 28 25.829 24.571 11.682 1.00 0.00 C ATOM 451 C GLY A 28 25.767 26.004 11.138 1.00 0.00 C ATOM 452 O GLY A 28 26.708 26.474 10.492 1.00 0.00 O ATOM 0 H GLY A 28 25.493 22.938 10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.547 24.579 12.735 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.859 24.217 11.631 1.00 0.00 H new ATOM 456 N GLY A 29 24.664 26.708 11.420 1.00 0.00 N ATOM 457 CA GLY A 29 24.437 28.120 11.077 1.00 0.00 C ATOM 458 C GLY A 29 23.653 28.354 9.775 1.00 0.00 C ATOM 459 O GLY A 29 23.729 29.454 9.223 1.00 0.00 O ATOM 0 H GLY A 29 23.873 26.294 11.913 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.900 28.596 11.897 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.403 28.619 10.997 1.00 0.00 H new ATOM 463 N ALA A 30 22.934 27.351 9.264 1.00 0.00 N ATOM 464 CA ALA A 30 22.131 27.437 8.041 1.00 0.00 C ATOM 465 C ALA A 30 20.986 26.399 8.008 1.00 0.00 C ATOM 466 O ALA A 30 21.019 25.404 8.739 1.00 0.00 O ATOM 467 CB ALA A 30 23.064 27.242 6.836 1.00 0.00 C ATOM 0 H ALA A 30 22.893 26.431 9.702 1.00 0.00 H new ATOM 0 HA ALA A 30 21.657 28.418 8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.485 27.302 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.827 28.020 6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.542 26.265 6.901 1.00 0.00 H new ATOM 473 N VAL A 31 20.018 26.607 7.108 1.00 0.00 N ATOM 474 CA VAL A 31 19.043 25.577 6.681 1.00 0.00 C ATOM 475 C VAL A 31 19.258 25.205 5.211 1.00 0.00 C ATOM 476 O VAL A 31 19.434 26.088 4.370 1.00 0.00 O ATOM 477 CB VAL A 31 17.585 26.000 6.953 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.560 25.029 6.346 1.00 0.00 C ATOM 479 CG2 VAL A 31 17.312 26.053 8.460 1.00 0.00 C ATOM 0 H VAL A 31 19.882 27.506 6.645 1.00 0.00 H new ATOM 0 HA VAL A 31 19.222 24.688 7.286 1.00 0.00 H new ATOM 0 HB VAL A 31 17.472 26.980 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.552 25.378 6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.697 24.984 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.703 24.036 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.278 26.353 8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.481 25.068 8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.982 26.775 8.926 1.00 0.00 H new ATOM 489 N ARG A 32 19.219 23.902 4.903 1.00 0.00 N ATOM 490 CA ARG A 32 19.231 23.318 3.547 1.00 0.00 C ATOM 491 C ARG A 32 17.854 22.744 3.186 1.00 0.00 C ATOM 492 O ARG A 32 17.111 22.324 4.075 1.00 0.00 O ATOM 493 CB ARG A 32 20.318 22.228 3.468 1.00 0.00 C ATOM 494 CG ARG A 32 21.740 22.788 3.652 1.00 0.00 C ATOM 495 CD ARG A 32 22.780 21.677 3.847 1.00 0.00 C ATOM 496 NE ARG A 32 22.979 20.855 2.639 1.00 0.00 N ATOM 497 CZ ARG A 32 23.807 19.838 2.501 1.00 0.00 C ATOM 498 NH1 ARG A 32 24.574 19.418 3.462 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 23.857 19.219 1.359 1.00 0.00 N ATOM 0 H ARG A 32 19.176 23.186 5.628 1.00 0.00 H new ATOM 0 HA ARG A 32 19.460 24.102 2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.127 21.475 4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.253 21.726 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 32 22.009 23.386 2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.757 23.455 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.731 22.124 4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.467 21.034 4.670 1.00 0.00 H new ATOM 0 HE ARG A 32 22.417 21.099 1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.552 19.880 4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.199 18.627 3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.262 19.522 0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.491 18.430 1.234 1.00 0.00 H new ATOM 513 N VAL A 33 17.512 22.713 1.896 1.00 0.00 N ATOM 514 CA VAL A 33 16.211 22.282 1.351 1.00 0.00 C ATOM 515 C VAL A 33 16.420 21.474 0.064 1.00 0.00 C ATOM 516 O VAL A 33 17.159 21.939 -0.811 1.00 0.00 O ATOM 517 CB VAL A 33 15.320 23.510 1.052 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.965 23.121 0.460 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.055 24.368 2.297 1.00 0.00 C ATOM 0 H VAL A 33 18.161 23.000 1.164 1.00 0.00 H new ATOM 0 HA VAL A 33 15.716 21.656 2.093 1.00 0.00 H new ATOM 0 HB VAL A 33 15.889 24.088 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.380 24.020 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.118 22.582 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.430 22.483 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.425 25.215 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.550 23.766 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.002 24.732 2.696 1.00 0.00 H new ATOM 529 N THR A 34 15.760 20.316 -0.102 1.00 0.00 N ATOM 530 CA THR A 34 15.856 19.470 -1.313 1.00 0.00 C ATOM 531 C THR A 34 14.479 19.189 -1.928 1.00 0.00 C ATOM 532 O THR A 34 13.549 18.780 -1.229 1.00 0.00 O ATOM 533 CB THR A 34 16.573 18.140 -1.019 1.00 0.00 C ATOM 534 OG1 THR A 34 17.822 18.363 -0.392 1.00 0.00 O ATOM 535 CG2 THR A 34 16.841 17.300 -2.267 1.00 0.00 C ATOM 0 H THR A 34 15.136 19.932 0.608 1.00 0.00 H new ATOM 0 HA THR A 34 16.446 20.035 -2.035 1.00 0.00 H new ATOM 0 HB THR A 34 15.890 17.595 -0.367 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.257 17.503 -0.214 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.348 16.378 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.896 17.059 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.470 17.863 -2.956 1.00 0.00 H new ATOM 543 N THR A 35 14.340 19.394 -3.239 1.00 0.00 N ATOM 544 CA THR A 35 13.093 19.195 -4.002 1.00 0.00 C ATOM 545 C THR A 35 12.919 17.768 -4.538 1.00 0.00 C ATOM 546 O THR A 35 13.858 16.972 -4.575 1.00 0.00 O ATOM 547 CB THR A 35 12.980 20.186 -5.179 1.00 0.00 C ATOM 548 OG1 THR A 35 13.861 19.834 -6.225 1.00 0.00 O ATOM 549 CG2 THR A 35 13.253 21.634 -4.775 1.00 0.00 C ATOM 0 H THR A 35 15.113 19.713 -3.823 1.00 0.00 H new ATOM 0 HA THR A 35 12.296 19.380 -3.282 1.00 0.00 H new ATOM 0 HB THR A 35 11.946 20.120 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.769 20.476 -6.960 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.157 22.280 -5.648 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.534 21.942 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.263 21.715 -4.372 1.00 0.00 H new ATOM 557 N LEU A 36 11.707 17.454 -5.012 1.00 0.00 N ATOM 558 CA LEU A 36 11.366 16.237 -5.759 1.00 0.00 C ATOM 559 C LEU A 36 12.234 16.026 -7.015 1.00 0.00 C ATOM 560 O LEU A 36 12.491 14.886 -7.413 1.00 0.00 O ATOM 561 CB LEU A 36 9.862 16.328 -6.082 1.00 0.00 C ATOM 562 CG LEU A 36 9.278 15.139 -6.877 1.00 0.00 C ATOM 563 CD1 LEU A 36 7.816 14.925 -6.498 1.00 0.00 C ATOM 564 CD2 LEU A 36 9.286 15.373 -8.388 1.00 0.00 C ATOM 0 H LEU A 36 10.903 18.067 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 36 11.578 15.356 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.312 16.421 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.685 17.243 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 36 9.907 14.283 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.413 14.085 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.744 14.713 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.245 15.825 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.864 14.504 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.689 16.254 -8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.310 15.528 -8.727 1.00 0.00 H new ATOM 576 N PHE A 37 12.715 17.123 -7.608 1.00 0.00 N ATOM 577 CA PHE A 37 13.571 17.152 -8.799 1.00 0.00 C ATOM 578 C PHE A 37 15.078 17.004 -8.475 1.00 0.00 C ATOM 579 O PHE A 37 15.921 17.152 -9.361 1.00 0.00 O ATOM 580 CB PHE A 37 13.259 18.435 -9.585 1.00 0.00 C ATOM 581 CG PHE A 37 11.772 18.687 -9.782 1.00 0.00 C ATOM 582 CD1 PHE A 37 11.107 19.644 -8.989 1.00 0.00 C ATOM 583 CD2 PHE A 37 11.037 17.913 -10.698 1.00 0.00 C ATOM 584 CE1 PHE A 37 9.719 19.830 -9.116 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.647 18.093 -10.823 1.00 0.00 C ATOM 586 CZ PHE A 37 8.988 19.052 -10.035 1.00 0.00 C ATOM 0 H PHE A 37 12.509 18.058 -7.255 1.00 0.00 H new ATOM 0 HA PHE A 37 13.345 16.282 -9.415 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.696 19.286 -9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.741 18.379 -10.561 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.666 20.237 -8.281 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.541 17.178 -11.308 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.214 20.568 -8.510 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.086 17.494 -11.525 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.922 19.192 -10.134 1.00 0.00 H new ATOM 596 N ASP A 38 15.427 16.724 -7.212 1.00 0.00 N ATOM 597 CA ASP A 38 16.801 16.654 -6.680 1.00 0.00 C ATOM 598 C ASP A 38 17.596 17.980 -6.765 1.00 0.00 C ATOM 599 O ASP A 38 18.826 17.991 -6.651 1.00 0.00 O ATOM 600 CB ASP A 38 17.575 15.442 -7.235 1.00 0.00 C ATOM 601 CG ASP A 38 16.835 14.095 -7.125 1.00 0.00 C ATOM 602 OD1 ASP A 38 17.010 13.239 -8.027 1.00 0.00 O ATOM 603 OD2 ASP A 38 16.132 13.847 -6.113 1.00 0.00 O1- ATOM 0 H ASP A 38 14.727 16.530 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 38 16.685 16.492 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.808 15.627 -8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.525 15.363 -6.706 1.00 0.00 H new ATOM 608 N GLU A 39 16.907 19.113 -6.939 1.00 0.00 N ATOM 609 CA GLU A 39 17.490 20.455 -6.803 1.00 0.00 C ATOM 610 C GLU A 39 17.637 20.845 -5.320 1.00 0.00 C ATOM 611 O GLU A 39 16.878 20.383 -4.462 1.00 0.00 O ATOM 612 CB GLU A 39 16.668 21.501 -7.569 1.00 0.00 C ATOM 613 CG GLU A 39 16.576 21.242 -9.083 1.00 0.00 C ATOM 614 CD GLU A 39 17.942 21.223 -9.804 1.00 0.00 C ATOM 615 OE1 GLU A 39 18.054 20.568 -10.869 1.00 0.00 O ATOM 616 OE2 GLU A 39 18.900 21.903 -9.352 1.00 0.00 O1- ATOM 0 H GLU A 39 15.916 19.125 -7.181 1.00 0.00 H new ATOM 0 HA GLU A 39 18.486 20.430 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.660 21.530 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.109 22.484 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.077 20.287 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.949 22.011 -9.535 1.00 0.00 H new ATOM 623 N GLU A 40 18.615 21.705 -5.009 1.00 0.00 N ATOM 624 CA GLU A 40 18.960 22.104 -3.637 1.00 0.00 C ATOM 625 C GLU A 40 19.007 23.632 -3.466 1.00 0.00 C ATOM 626 O GLU A 40 19.521 24.362 -4.320 1.00 0.00 O ATOM 627 CB GLU A 40 20.285 21.437 -3.219 1.00 0.00 C ATOM 628 CG GLU A 40 20.710 21.769 -1.782 1.00 0.00 C ATOM 629 CD GLU A 40 21.877 20.903 -1.273 1.00 0.00 C ATOM 630 OE1 GLU A 40 21.982 20.720 -0.038 1.00 0.00 O ATOM 631 OE2 GLU A 40 22.716 20.420 -2.073 1.00 0.00 O1- ATOM 0 H GLU A 40 19.200 22.151 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 40 18.169 21.755 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.186 20.356 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.073 21.751 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.997 22.819 -1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.855 21.639 -1.119 1.00 0.00 H new ATOM 638 N HIS A 41 18.498 24.106 -2.325 1.00 0.00 N ATOM 639 CA HIS A 41 18.553 25.500 -1.872 1.00 0.00 C ATOM 640 C HIS A 41 19.139 25.555 -0.455 1.00 0.00 C ATOM 641 O HIS A 41 18.990 24.607 0.324 1.00 0.00 O ATOM 642 CB HIS A 41 17.151 26.128 -1.928 1.00 0.00 C ATOM 643 CG HIS A 41 16.445 25.974 -3.259 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.576 26.824 -4.363 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.608 24.945 -3.591 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.798 26.292 -5.326 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.218 25.159 -4.889 1.00 0.00 N ATOM 0 H HIS A 41 18.014 23.501 -1.661 1.00 0.00 H new ATOM 0 HA HIS A 41 19.201 26.077 -2.532 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.534 25.678 -1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.233 27.190 -1.696 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.312 24.124 -2.955 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.659 26.715 -6.310 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.594 24.561 -5.431 1.00 0.00 H new ATOM 655 N ALA A 42 19.796 26.661 -0.098 1.00 0.00 N ATOM 656 CA ALA A 42 20.384 26.866 1.226 1.00 0.00 C ATOM 657 C ALA A 42 20.300 28.332 1.687 1.00 0.00 C ATOM 658 O ALA A 42 20.449 29.259 0.882 1.00 0.00 O ATOM 659 CB ALA A 42 21.831 26.352 1.215 1.00 0.00 C ATOM 0 H ALA A 42 19.936 27.450 -0.730 1.00 0.00 H new ATOM 0 HA ALA A 42 19.806 26.298 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.277 26.501 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.838 25.290 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.406 26.900 0.469 1.00 0.00 H new ATOM 665 N PHE A 43 20.081 28.532 2.992 1.00 0.00 N ATOM 666 CA PHE A 43 19.796 29.828 3.619 1.00 0.00 C ATOM 667 C PHE A 43 20.568 29.985 4.942 1.00 0.00 C ATOM 668 O PHE A 43 20.266 29.268 5.904 1.00 0.00 O ATOM 669 CB PHE A 43 18.285 29.957 3.849 1.00 0.00 C ATOM 670 CG PHE A 43 17.467 29.843 2.578 1.00 0.00 C ATOM 671 CD1 PHE A 43 16.942 28.596 2.185 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.286 30.969 1.749 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.249 28.474 0.968 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.590 30.849 0.532 1.00 0.00 C ATOM 675 CZ PHE A 43 16.077 29.600 0.142 1.00 0.00 C ATOM 0 H PHE A 43 20.098 27.766 3.666 1.00 0.00 H new ATOM 0 HA PHE A 43 20.127 30.625 2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.965 29.184 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 43 18.078 30.918 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.072 27.732 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 43 17.683 31.927 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.849 27.517 0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.451 31.714 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.549 29.504 -0.795 1.00 0.00 H new ATOM 685 N PRO A 44 21.563 30.888 5.026 1.00 0.00 N ATOM 686 CA PRO A 44 22.328 31.099 6.249 1.00 0.00 C ATOM 687 C PRO A 44 21.499 31.804 7.340 1.00 0.00 C ATOM 688 O PRO A 44 20.641 32.647 7.057 1.00 0.00 O ATOM 689 CB PRO A 44 23.550 31.923 5.837 1.00 0.00 C ATOM 690 CG PRO A 44 23.041 32.725 4.642 1.00 0.00 C ATOM 691 CD PRO A 44 22.055 31.764 3.971 1.00 0.00 C ATOM 0 HA PRO A 44 22.623 30.149 6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.888 32.573 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.392 31.287 5.566 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.554 33.649 4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.852 33.004 3.970 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.235 32.310 3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.545 31.190 3.184 1.00 0.00 H new ATOM 699 N GLY A 45 21.789 31.475 8.598 1.00 0.00 N ATOM 700 CA GLY A 45 21.264 32.138 9.794 1.00 0.00 C ATOM 701 C GLY A 45 19.829 31.759 10.187 1.00 0.00 C ATOM 702 O GLY A 45 19.309 32.313 11.158 1.00 0.00 O ATOM 0 H GLY A 45 22.422 30.708 8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.923 31.911 10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.306 33.216 9.638 1.00 0.00 H new ATOM 706 N LEU A 46 19.179 30.832 9.474 1.00 0.00 N ATOM 707 CA LEU A 46 17.849 30.301 9.802 1.00 0.00 C ATOM 708 C LEU A 46 17.908 28.996 10.620 1.00 0.00 C ATOM 709 O LEU A 46 18.939 28.324 10.691 1.00 0.00 O ATOM 710 CB LEU A 46 17.029 30.099 8.504 1.00 0.00 C ATOM 711 CG LEU A 46 16.829 31.345 7.621 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.868 31.010 6.478 1.00 0.00 C ATOM 713 CD2 LEU A 46 16.238 32.533 8.389 1.00 0.00 C ATOM 0 H LEU A 46 19.574 30.418 8.629 1.00 0.00 H new ATOM 0 HA LEU A 46 17.354 31.037 10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.520 29.331 7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.047 29.712 8.777 1.00 0.00 H new ATOM 0 HG LEU A 46 17.816 31.628 7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.726 31.891 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.285 30.202 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.908 30.698 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.121 33.381 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.266 32.256 8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.907 32.809 9.204 1.00 0.00 H new ATOM 725 N ALA A 47 16.762 28.624 11.190 1.00 0.00 N ATOM 726 CA ALA A 47 16.431 27.324 11.770 1.00 0.00 C ATOM 727 C ALA A 47 14.984 26.917 11.403 1.00 0.00 C ATOM 728 O ALA A 47 14.170 27.753 10.992 1.00 0.00 O ATOM 729 CB ALA A 47 16.646 27.383 13.290 1.00 0.00 C ATOM 0 H ALA A 47 15.980 29.275 11.263 1.00 0.00 H new ATOM 0 HA ALA A 47 17.087 26.557 11.360 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.401 26.416 13.730 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.688 27.624 13.501 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.002 28.151 13.719 1.00 0.00 H new ATOM 735 N ILE A 48 14.643 25.631 11.534 1.00 0.00 N ATOM 736 CA ILE A 48 13.285 25.121 11.282 1.00 0.00 C ATOM 737 C ILE A 48 12.363 25.505 12.458 1.00 0.00 C ATOM 738 O ILE A 48 12.638 25.149 13.608 1.00 0.00 O ATOM 739 CB ILE A 48 13.285 23.597 11.022 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.216 23.216 9.841 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.845 23.119 10.739 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.479 21.710 9.728 1.00 0.00 C ATOM 0 H ILE A 48 15.303 24.908 11.819 1.00 0.00 H new ATOM 0 HA ILE A 48 12.900 25.584 10.374 1.00 0.00 H new ATOM 0 HB ILE A 48 13.668 23.102 11.915 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.772 23.570 8.911 1.00 0.00 H new ATOM 0 HG13 ILE A 48 15.168 23.735 9.957 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.848 22.044 10.556 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.213 23.339 11.599 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.456 23.635 9.861 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.137 21.518 8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 48 14.952 21.354 10.643 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.535 21.186 9.580 1.00 0.00 H new ATOM 754 N GLY A 49 11.285 26.243 12.175 1.00 0.00 N ATOM 755 CA GLY A 49 10.333 26.740 13.177 1.00 0.00 C ATOM 756 C GLY A 49 9.090 25.859 13.349 1.00 0.00 C ATOM 757 O GLY A 49 8.677 25.585 14.479 1.00 0.00 O ATOM 0 H GLY A 49 11.044 26.518 11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.842 26.823 14.137 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.017 27.745 12.896 1.00 0.00 H new ATOM 761 N ARG A 50 8.498 25.388 12.243 1.00 0.00 N ATOM 762 CA ARG A 50 7.316 24.506 12.238 1.00 0.00 C ATOM 763 C ARG A 50 7.273 23.597 11.009 1.00 0.00 C ATOM 764 O ARG A 50 7.672 23.998 9.916 1.00 0.00 O ATOM 765 CB ARG A 50 6.042 25.368 12.378 1.00 0.00 C ATOM 766 CG ARG A 50 4.727 24.570 12.413 1.00 0.00 C ATOM 767 CD ARG A 50 3.535 25.466 12.779 1.00 0.00 C ATOM 768 NE ARG A 50 2.284 24.691 12.782 1.00 0.00 N ATOM 769 CZ ARG A 50 1.428 24.528 11.793 1.00 0.00 C ATOM 770 NH1 ARG A 50 1.512 25.138 10.647 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 0.455 23.691 11.927 1.00 0.00 N ATOM 0 H ARG A 50 8.832 25.612 11.306 1.00 0.00 H new ATOM 0 HA ARG A 50 7.378 23.831 13.091 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.118 25.958 13.291 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.002 26.071 11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.553 24.111 11.440 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.811 23.760 13.138 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.696 25.910 13.761 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.458 26.287 12.066 1.00 0.00 H new ATOM 0 HE ARG A 50 2.051 24.222 13.657 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.277 25.790 10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.813 24.964 9.924 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.353 23.162 12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.212 23.559 11.167 1.00 0.00 H new ATOM 785 N VAL A 51 6.734 22.393 11.193 1.00 0.00 N ATOM 786 CA VAL A 51 6.449 21.386 10.157 1.00 0.00 C ATOM 787 C VAL A 51 4.980 20.968 10.273 1.00 0.00 C ATOM 788 O VAL A 51 4.512 20.646 11.364 1.00 0.00 O ATOM 789 CB VAL A 51 7.378 20.160 10.311 1.00 0.00 C ATOM 790 CG1 VAL A 51 7.089 19.077 9.264 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.857 20.552 10.208 1.00 0.00 C ATOM 0 H VAL A 51 6.466 22.069 12.123 1.00 0.00 H new ATOM 0 HA VAL A 51 6.633 21.814 9.172 1.00 0.00 H new ATOM 0 HB VAL A 51 7.173 19.760 11.304 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.767 18.237 9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.059 18.736 9.368 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.235 19.488 8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.478 19.663 10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.046 21.005 9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.100 21.267 10.995 1.00 0.00 H new ATOM 801 N ASP A 52 4.245 20.970 9.165 1.00 0.00 N ATOM 802 CA ASP A 52 2.800 20.714 9.114 1.00 0.00 C ATOM 803 C ASP A 52 2.475 19.749 7.966 1.00 0.00 C ATOM 804 O ASP A 52 2.461 20.127 6.789 1.00 0.00 O ATOM 805 CB ASP A 52 2.078 22.065 8.998 1.00 0.00 C ATOM 806 CG ASP A 52 0.546 21.988 9.017 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.035 20.907 8.792 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.086 23.044 9.261 1.00 0.00 O1- ATOM 0 H ASP A 52 4.647 21.155 8.246 1.00 0.00 H new ATOM 0 HA ASP A 52 2.452 20.224 10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.404 22.705 9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.391 22.548 8.072 1.00 0.00 H new ATOM 813 N LEU A 53 2.221 18.489 8.314 1.00 0.00 N ATOM 814 CA LEU A 53 1.919 17.401 7.390 1.00 0.00 C ATOM 815 C LEU A 53 0.458 17.441 6.899 1.00 0.00 C ATOM 816 O LEU A 53 0.174 16.989 5.789 1.00 0.00 O ATOM 817 CB LEU A 53 2.214 16.042 8.062 1.00 0.00 C ATOM 818 CG LEU A 53 3.642 15.754 8.577 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.723 16.173 7.581 1.00 0.00 C ATOM 820 CD2 LEU A 53 3.953 16.358 9.950 1.00 0.00 C ATOM 0 H LEU A 53 2.220 18.187 9.288 1.00 0.00 H new ATOM 0 HA LEU A 53 2.559 17.527 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.533 15.938 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.958 15.260 7.348 1.00 0.00 H new ATOM 0 HG LEU A 53 3.660 14.670 8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.706 15.948 7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.588 15.627 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.647 17.243 7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.975 16.108 10.235 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.844 17.442 9.904 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.261 15.955 10.690 1.00 0.00 H new ATOM 832 N ARG A 54 -0.460 18.005 7.694 1.00 0.00 N ATOM 833 CA ARG A 54 -1.873 18.182 7.319 1.00 0.00 C ATOM 834 C ARG A 54 -2.013 19.189 6.175 1.00 0.00 C ATOM 835 O ARG A 54 -2.683 18.899 5.183 1.00 0.00 O ATOM 836 CB ARG A 54 -2.687 18.592 8.554 1.00 0.00 C ATOM 837 CG ARG A 54 -4.202 18.593 8.283 1.00 0.00 C ATOM 838 CD ARG A 54 -5.013 19.082 9.490 1.00 0.00 C ATOM 839 NE ARG A 54 -4.701 20.488 9.825 1.00 0.00 N ATOM 840 CZ ARG A 54 -5.285 21.573 9.351 1.00 0.00 C ATOM 841 NH1 ARG A 54 -6.275 21.530 8.501 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -4.878 22.752 9.729 1.00 0.00 N ATOM 0 H ARG A 54 -0.242 18.356 8.627 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.270 17.235 6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.468 17.908 9.374 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.377 19.586 8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.414 19.230 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.521 17.585 8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.078 18.986 9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.803 18.447 10.351 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.950 20.636 10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.629 20.630 8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.695 22.396 8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.107 22.837 10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.330 23.589 9.362 1.00 0.00 H new ATOM 856 N SER A 55 -1.373 20.355 6.305 1.00 0.00 N ATOM 857 CA SER A 55 -1.397 21.434 5.307 1.00 0.00 C ATOM 858 C SER A 55 -0.336 21.280 4.200 1.00 0.00 C ATOM 859 O SER A 55 -0.490 21.828 3.104 1.00 0.00 O ATOM 860 CB SER A 55 -1.229 22.778 6.030 1.00 0.00 C ATOM 861 OG SER A 55 -1.579 23.872 5.196 1.00 0.00 O ATOM 0 H SER A 55 -0.810 20.582 7.125 1.00 0.00 H new ATOM 0 HA SER A 55 -2.359 21.385 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.851 22.790 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.195 22.887 6.359 1.00 0.00 H new ATOM 0 HG SER A 55 -1.461 24.710 5.690 1.00 0.00 H new ATOM 867 N GLY A 56 0.747 20.540 4.466 1.00 0.00 N ATOM 868 CA GLY A 56 1.880 20.358 3.552 1.00 0.00 C ATOM 869 C GLY A 56 2.821 21.569 3.503 1.00 0.00 C ATOM 870 O GLY A 56 3.179 22.028 2.417 1.00 0.00 O ATOM 0 H GLY A 56 0.862 20.038 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.447 19.478 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.501 20.160 2.549 1.00 0.00 H new ATOM 874 N VAL A 57 3.183 22.118 4.670 1.00 0.00 N ATOM 875 CA VAL A 57 3.967 23.364 4.804 1.00 0.00 C ATOM 876 C VAL A 57 5.099 23.207 5.827 1.00 0.00 C ATOM 877 O VAL A 57 4.916 22.575 6.872 1.00 0.00 O ATOM 878 CB VAL A 57 3.054 24.560 5.172 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.832 25.869 5.384 1.00 0.00 C ATOM 880 CG2 VAL A 57 2.024 24.828 4.069 1.00 0.00 C ATOM 0 H VAL A 57 2.936 21.704 5.569 1.00 0.00 H new ATOM 0 HA VAL A 57 4.422 23.570 3.835 1.00 0.00 H new ATOM 0 HB VAL A 57 2.572 24.270 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.136 26.668 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.549 25.739 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.363 26.129 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.397 25.673 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.540 25.058 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.401 23.944 3.930 1.00 0.00 H new ATOM 890 N ILE A 58 6.255 23.818 5.556 1.00 0.00 N ATOM 891 CA ILE A 58 7.402 23.931 6.474 1.00 0.00 C ATOM 892 C ILE A 58 7.803 25.406 6.600 1.00 0.00 C ATOM 893 O ILE A 58 8.073 26.065 5.597 1.00 0.00 O ATOM 894 CB ILE A 58 8.577 23.033 6.016 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.155 21.538 5.994 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.787 23.235 6.949 1.00 0.00 C ATOM 897 CD1 ILE A 58 9.141 20.611 5.275 1.00 0.00 C ATOM 0 H ILE A 58 6.429 24.267 4.657 1.00 0.00 H new ATOM 0 HA ILE A 58 7.116 23.571 7.462 1.00 0.00 H new ATOM 0 HB ILE A 58 8.857 23.320 5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.033 21.193 7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.181 21.455 5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.610 22.600 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.100 24.279 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.508 22.969 7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.768 19.587 5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.246 20.926 4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.112 20.659 5.769 1.00 0.00 H new ATOM 909 N SER A 59 7.852 25.929 7.824 1.00 0.00 N ATOM 910 CA SER A 59 8.150 27.336 8.129 1.00 0.00 C ATOM 911 C SER A 59 9.523 27.491 8.779 1.00 0.00 C ATOM 912 O SER A 59 9.832 26.802 9.757 1.00 0.00 O ATOM 913 CB SER A 59 7.048 27.912 9.025 1.00 0.00 C ATOM 914 OG SER A 59 7.267 29.280 9.322 1.00 0.00 O ATOM 0 H SER A 59 7.681 25.371 8.661 1.00 0.00 H new ATOM 0 HA SER A 59 8.176 27.895 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.083 27.798 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.001 27.342 9.953 1.00 0.00 H new ATOM 0 HG SER A 59 6.543 29.611 9.893 1.00 0.00 H new ATOM 920 N LEU A 60 10.361 28.389 8.240 1.00 0.00 N ATOM 921 CA LEU A 60 11.683 28.721 8.786 1.00 0.00 C ATOM 922 C LEU A 60 11.666 30.044 9.572 1.00 0.00 C ATOM 923 O LEU A 60 10.882 30.954 9.270 1.00 0.00 O ATOM 924 CB LEU A 60 12.739 28.750 7.667 1.00 0.00 C ATOM 925 CG LEU A 60 12.777 27.510 6.751 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.931 27.650 5.758 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.968 26.209 7.526 1.00 0.00 C ATOM 0 H LEU A 60 10.133 28.914 7.396 1.00 0.00 H new ATOM 0 HA LEU A 60 11.954 27.937 9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.563 29.630 7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.721 28.872 8.123 1.00 0.00 H new ATOM 0 HG LEU A 60 11.814 27.461 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.961 26.775 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.784 28.545 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.872 27.730 6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.987 25.370 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.909 26.247 8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.144 26.079 8.228 1.00 0.00 H new ATOM 939 N ILE A 61 12.538 30.150 10.576 1.00 0.00 N ATOM 940 CA ILE A 61 12.671 31.296 11.487 1.00 0.00 C ATOM 941 C ILE A 61 14.143 31.645 11.714 1.00 0.00 C ATOM 942 O ILE A 61 15.037 30.843 11.456 1.00 0.00 O ATOM 943 CB ILE A 61 11.940 31.035 12.828 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.534 29.857 13.634 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.432 30.817 12.609 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.486 30.291 14.754 1.00 0.00 C ATOM 0 H ILE A 61 13.203 29.407 10.789 1.00 0.00 H new ATOM 0 HA ILE A 61 12.193 32.155 11.016 1.00 0.00 H new ATOM 0 HB ILE A 61 12.091 31.935 13.424 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.719 29.278 14.067 1.00 0.00 H new ATOM 0 HG13 ILE A 61 13.068 29.195 12.952 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.947 30.636 13.568 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.000 31.704 12.145 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.280 29.956 11.958 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.862 29.410 15.274 1.00 0.00 H new ATOM 0 HD12 ILE A 61 14.322 30.844 14.327 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.952 30.928 15.459 1.00 0.00 H new ATOM 958 N GLU A 62 14.413 32.855 12.193 1.00 0.00 N ATOM 959 CA GLU A 62 15.761 33.358 12.465 1.00 0.00 C ATOM 960 C GLU A 62 16.378 32.681 13.704 1.00 0.00 C ATOM 961 O GLU A 62 15.855 32.806 14.815 1.00 0.00 O ATOM 962 CB GLU A 62 15.757 34.886 12.640 1.00 0.00 C ATOM 963 CG GLU A 62 15.192 35.677 11.447 1.00 0.00 C ATOM 964 CD GLU A 62 13.691 36.018 11.562 1.00 0.00 C ATOM 965 OE1 GLU A 62 13.276 37.097 11.067 1.00 0.00 O ATOM 966 OE2 GLU A 62 12.898 35.232 12.141 1.00 0.00 O1- ATOM 0 H GLU A 62 13.683 33.533 12.410 1.00 0.00 H new ATOM 0 HA GLU A 62 16.378 33.110 11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.176 35.133 13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.779 35.218 12.825 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.756 36.604 11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.353 35.101 10.536 1.00 0.00 H new ATOM 1113 N MET B 3 0.710 12.366 7.142 1.00 0.00 N ATOM 1114 CA MET B 3 1.180 12.264 8.534 1.00 0.00 C ATOM 1115 C MET B 3 2.553 11.566 8.592 1.00 0.00 C ATOM 1116 O MET B 3 2.893 10.767 7.718 1.00 0.00 O ATOM 1117 CB MET B 3 0.120 11.594 9.434 1.00 0.00 C ATOM 1118 CG MET B 3 -0.163 10.128 9.096 1.00 0.00 C ATOM 1119 SD MET B 3 -1.514 9.429 10.085 1.00 0.00 S ATOM 1120 CE MET B 3 -1.454 7.717 9.493 1.00 0.00 C ATOM 0 HA MET B 3 1.321 13.269 8.933 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.449 11.658 10.471 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.810 12.157 9.360 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.412 10.045 8.038 1.00 0.00 H new ATOM 0 HG3 MET B 3 0.741 9.541 9.258 1.00 0.00 H new ATOM 0 HE1 MET B 3 -2.223 7.131 9.996 1.00 0.00 H new ATOM 0 HE2 MET B 3 -1.629 7.698 8.417 1.00 0.00 H new ATOM 0 HE3 MET B 3 -0.474 7.292 9.709 1.00 0.00 H new ATOM 1130 N ALA B 4 3.355 11.895 9.608 1.00 0.00 N ATOM 1131 CA ALA B 4 4.756 11.483 9.747 1.00 0.00 C ATOM 1132 C ALA B 4 5.033 10.763 11.080 1.00 0.00 C ATOM 1133 O ALA B 4 4.145 10.654 11.934 1.00 0.00 O ATOM 1134 CB ALA B 4 5.635 12.735 9.571 1.00 0.00 C ATOM 0 H ALA B 4 3.037 12.476 10.384 1.00 0.00 H new ATOM 0 HA ALA B 4 4.995 10.749 8.978 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.685 12.459 9.669 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.464 13.164 8.584 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.380 13.469 10.335 1.00 0.00 H new ATOM 1140 N LYS B 5 6.276 10.303 11.271 1.00 0.00 N ATOM 1141 CA LYS B 5 6.795 9.823 12.559 1.00 0.00 C ATOM 1142 C LYS B 5 7.966 10.684 13.048 1.00 0.00 C ATOM 1143 O LYS B 5 8.895 10.987 12.300 1.00 0.00 O ATOM 1144 CB LYS B 5 7.116 8.308 12.542 1.00 0.00 C ATOM 1145 CG LYS B 5 8.037 7.829 11.402 1.00 0.00 C ATOM 1146 CD LYS B 5 7.251 7.290 10.194 1.00 0.00 C ATOM 1147 CE LYS B 5 8.211 7.013 9.036 1.00 0.00 C ATOM 1148 NZ LYS B 5 7.503 6.524 7.826 1.00 0.00 N1+ ATOM 0 H LYS B 5 6.964 10.253 10.519 1.00 0.00 H new ATOM 0 HA LYS B 5 5.998 9.939 13.293 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.579 8.043 13.493 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.177 7.758 12.480 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.670 8.656 11.079 1.00 0.00 H new ATOM 0 HG3 LYS B 5 8.699 7.049 11.778 1.00 0.00 H new ATOM 0 HD2 LYS B 5 6.724 6.376 10.469 1.00 0.00 H new ATOM 0 HD3 LYS B 5 6.495 8.013 9.888 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.756 7.925 8.792 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.949 6.274 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 7.986 6.876 6.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 7.504 5.484 7.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 6.522 6.869 7.835 1.00 0.00 H new ATOM 1162 N VAL B 6 7.922 11.079 14.319 1.00 0.00 N ATOM 1163 CA VAL B 6 8.989 11.793 15.039 1.00 0.00 C ATOM 1164 C VAL B 6 9.941 10.795 15.707 1.00 0.00 C ATOM 1165 O VAL B 6 9.501 9.754 16.198 1.00 0.00 O ATOM 1166 CB VAL B 6 8.379 12.785 16.052 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.393 13.349 17.055 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.777 13.976 15.306 1.00 0.00 C ATOM 0 H VAL B 6 7.107 10.905 14.907 1.00 0.00 H new ATOM 0 HA VAL B 6 9.577 12.374 14.329 1.00 0.00 H new ATOM 0 HB VAL B 6 7.631 12.216 16.605 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.889 14.038 17.733 1.00 0.00 H new ATOM 0 HG12 VAL B 6 9.832 12.532 17.628 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.180 13.879 16.518 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.347 14.675 16.023 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.556 14.478 14.733 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.998 13.625 14.629 1.00 0.00 H new ATOM 1178 N VAL B 7 11.235 11.127 15.760 1.00 0.00 N ATOM 1179 CA VAL B 7 12.279 10.363 16.466 1.00 0.00 C ATOM 1180 C VAL B 7 13.243 11.275 17.237 1.00 0.00 C ATOM 1181 O VAL B 7 13.620 12.355 16.765 1.00 0.00 O ATOM 1182 CB VAL B 7 12.999 9.396 15.502 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.757 10.104 14.371 1.00 0.00 C ATOM 1184 CG2 VAL B 7 13.980 8.477 16.237 1.00 0.00 C ATOM 0 H VAL B 7 11.600 11.961 15.299 1.00 0.00 H new ATOM 0 HA VAL B 7 11.792 9.750 17.224 1.00 0.00 H new ATOM 0 HB VAL B 7 12.195 8.808 15.060 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.237 9.361 13.734 1.00 0.00 H new ATOM 0 HG12 VAL B 7 13.058 10.693 13.777 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.515 10.762 14.797 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.464 7.814 15.520 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.735 9.080 16.741 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.439 7.883 16.974 1.00 0.00 H new ATOM 1194 N LEU B 8 13.631 10.830 18.436 1.00 0.00 N ATOM 1195 CA LEU B 8 14.574 11.477 19.355 1.00 0.00 C ATOM 1196 C LEU B 8 15.317 10.425 20.200 1.00 0.00 C ATOM 1197 O LEU B 8 14.900 9.269 20.267 1.00 0.00 O ATOM 1198 CB LEU B 8 13.826 12.511 20.224 1.00 0.00 C ATOM 1199 CG LEU B 8 12.814 11.931 21.235 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.409 11.833 22.641 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.568 12.811 21.333 1.00 0.00 C ATOM 0 H LEU B 8 13.273 9.953 18.815 1.00 0.00 H new ATOM 0 HA LEU B 8 15.333 12.012 18.784 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.563 13.098 20.772 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.298 13.199 19.564 1.00 0.00 H new ATOM 0 HG LEU B 8 12.557 10.937 20.868 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.665 11.420 23.323 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.284 11.183 22.621 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.702 12.826 22.982 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.873 12.378 22.052 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.853 13.811 21.660 1.00 0.00 H new ATOM 0 HD23 LEU B 8 11.088 12.872 20.356 1.00 0.00 H new ATOM 1309 N VAL B 16 13.433 7.050 21.319 1.00 0.00 N ATOM 1310 CA VAL B 16 11.990 7.292 21.507 1.00 0.00 C ATOM 1311 C VAL B 16 11.366 7.754 20.185 1.00 0.00 C ATOM 1312 O VAL B 16 11.969 8.538 19.453 1.00 0.00 O ATOM 1313 CB VAL B 16 11.757 8.323 22.636 1.00 0.00 C ATOM 1314 CG1 VAL B 16 10.276 8.683 22.823 1.00 0.00 C ATOM 1315 CG2 VAL B 16 12.293 7.835 23.994 1.00 0.00 C ATOM 0 HA VAL B 16 11.504 6.363 21.807 1.00 0.00 H new ATOM 0 HB VAL B 16 12.306 9.207 22.313 1.00 0.00 H new ATOM 0 HG11 VAL B 16 10.177 9.410 23.629 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.886 9.110 21.899 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.712 7.785 23.074 1.00 0.00 H new ATOM 0 HG21 VAL B 16 12.105 8.594 24.753 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.788 6.910 24.273 1.00 0.00 H new ATOM 0 HG23 VAL B 16 13.365 7.655 23.918 1.00 0.00 H new ATOM 1325 N GLU B 17 10.163 7.269 19.873 1.00 0.00 N ATOM 1326 CA GLU B 17 9.442 7.549 18.621 1.00 0.00 C ATOM 1327 C GLU B 17 7.950 7.837 18.861 1.00 0.00 C ATOM 1328 O GLU B 17 7.345 7.284 19.784 1.00 0.00 O ATOM 1329 CB GLU B 17 9.597 6.373 17.633 1.00 0.00 C ATOM 1330 CG GLU B 17 11.038 6.154 17.140 1.00 0.00 C ATOM 1331 CD GLU B 17 11.197 4.873 16.297 1.00 0.00 C ATOM 1332 OE1 GLU B 17 12.275 4.239 16.384 1.00 0.00 O ATOM 1333 OE2 GLU B 17 10.268 4.491 15.542 1.00 0.00 O1- ATOM 0 H GLU B 17 9.645 6.653 20.499 1.00 0.00 H new ATOM 0 HA GLU B 17 9.887 8.446 18.191 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.246 5.460 18.114 1.00 0.00 H new ATOM 0 HB3 GLU B 17 8.952 6.548 16.772 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.348 7.014 16.546 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.706 6.102 17.999 1.00 0.00 H new ATOM 1340 N ILE B 18 7.350 8.680 18.012 1.00 0.00 N ATOM 1341 CA ILE B 18 5.911 9.023 18.010 1.00 0.00 C ATOM 1342 C ILE B 18 5.382 8.918 16.575 1.00 0.00 C ATOM 1343 O ILE B 18 5.877 9.609 15.685 1.00 0.00 O ATOM 1344 CB ILE B 18 5.651 10.445 18.578 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.193 10.627 20.012 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.144 10.775 18.549 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.345 12.096 20.410 1.00 0.00 C ATOM 0 H ILE B 18 7.867 9.163 17.278 1.00 0.00 H new ATOM 0 HA ILE B 18 5.386 8.322 18.659 1.00 0.00 H new ATOM 0 HB ILE B 18 6.194 11.136 17.933 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.521 10.133 20.714 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.160 10.132 20.095 1.00 0.00 H new ATOM 0 HG21 ILE B 18 3.983 11.775 18.951 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.782 10.734 17.522 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.601 10.049 19.154 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.730 12.159 21.428 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.039 12.588 19.729 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.375 12.589 20.358 1.00 0.00 H new ATOM 1359 N GLY B 19 4.380 8.070 16.344 1.00 0.00 N ATOM 1360 CA GLY B 19 3.743 7.882 15.036 1.00 0.00 C ATOM 1361 C GLY B 19 2.526 8.790 14.790 1.00 0.00 C ATOM 1362 O GLY B 19 2.000 9.424 15.705 1.00 0.00 O ATOM 0 H GLY B 19 3.979 7.482 17.074 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.482 8.064 14.255 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.431 6.842 14.943 1.00 0.00 H new ATOM 1366 N ASP B 20 2.039 8.803 13.545 1.00 0.00 N ATOM 1367 CA ASP B 20 0.784 9.439 13.114 1.00 0.00 C ATOM 1368 C ASP B 20 0.691 10.960 13.418 1.00 0.00 C ATOM 1369 O ASP B 20 -0.380 11.504 13.717 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.438 8.623 13.599 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.355 7.102 13.329 1.00 0.00 C ATOM 1372 OD1 ASP B 20 0.337 6.656 12.381 1.00 0.00 O ATOM 1373 OD2 ASP B 20 -1.019 6.333 14.067 1.00 0.00 O1- ATOM 0 H ASP B 20 2.529 8.351 12.773 1.00 0.00 H new ATOM 0 HA ASP B 20 0.780 9.413 12.024 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.560 8.781 14.671 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.333 9.015 13.116 1.00 0.00 H new ATOM 1378 N VAL B 21 1.833 11.650 13.355 1.00 0.00 N ATOM 1379 CA VAL B 21 2.003 13.088 13.648 1.00 0.00 C ATOM 1380 C VAL B 21 1.473 13.959 12.506 1.00 0.00 C ATOM 1381 O VAL B 21 1.864 13.767 11.352 1.00 0.00 O ATOM 1382 CB VAL B 21 3.490 13.383 13.932 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.779 14.867 14.174 1.00 0.00 C ATOM 1384 CG2 VAL B 21 3.967 12.610 15.170 1.00 0.00 C ATOM 0 H VAL B 21 2.711 11.205 13.086 1.00 0.00 H new ATOM 0 HA VAL B 21 1.417 13.336 14.533 1.00 0.00 H new ATOM 0 HB VAL B 21 4.024 13.068 13.036 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.843 15.004 14.367 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.494 15.442 13.293 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.206 15.214 15.034 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.018 12.831 15.354 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.376 12.909 16.036 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.846 11.540 15.000 1.00 0.00 H new ATOM 1394 N LEU B 22 0.624 14.943 12.824 1.00 0.00 N ATOM 1395 CA LEU B 22 0.147 15.970 11.886 1.00 0.00 C ATOM 1396 C LEU B 22 1.006 17.242 11.882 1.00 0.00 C ATOM 1397 O LEU B 22 1.102 17.902 10.850 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.302 16.363 12.218 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.368 15.287 11.985 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.738 15.906 12.271 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.386 14.756 10.546 1.00 0.00 C ATOM 0 H LEU B 22 0.240 15.051 13.763 1.00 0.00 H new ATOM 0 HA LEU B 22 0.215 15.521 10.895 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.343 16.665 13.265 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.564 17.238 11.624 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.136 14.451 12.644 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.515 15.159 12.112 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.773 16.251 13.304 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.903 16.750 11.601 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.163 13.998 10.448 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.591 15.576 9.858 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.417 14.316 10.308 1.00 0.00 H new ATOM 1413 N GLU B 23 1.636 17.595 13.007 1.00 0.00 N ATOM 1414 CA GLU B 23 2.522 18.762 13.091 1.00 0.00 C ATOM 1415 C GLU B 23 3.578 18.657 14.204 1.00 0.00 C ATOM 1416 O GLU B 23 3.390 17.983 15.224 1.00 0.00 O ATOM 1417 CB GLU B 23 1.718 20.073 13.224 1.00 0.00 C ATOM 1418 CG GLU B 23 0.904 20.202 14.528 1.00 0.00 C ATOM 1419 CD GLU B 23 0.376 21.622 14.765 1.00 0.00 C ATOM 1420 OE1 GLU B 23 1.061 22.613 14.415 1.00 0.00 O ATOM 1421 OE2 GLU B 23 -0.730 21.791 15.327 1.00 0.00 O1- ATOM 0 H GLU B 23 1.547 17.081 13.884 1.00 0.00 H new ATOM 0 HA GLU B 23 3.070 18.780 12.149 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.408 20.914 13.158 1.00 0.00 H new ATOM 0 HB3 GLU B 23 1.036 20.152 12.377 1.00 0.00 H new ATOM 0 HG2 GLU B 23 0.064 19.508 14.496 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.529 19.907 15.371 1.00 0.00 H new ATOM 1428 N VAL B 24 4.678 19.391 14.007 1.00 0.00 N ATOM 1429 CA VAL B 24 5.756 19.607 14.982 1.00 0.00 C ATOM 1430 C VAL B 24 6.123 21.090 15.013 1.00 0.00 C ATOM 1431 O VAL B 24 6.317 21.700 13.957 1.00 0.00 O ATOM 1432 CB VAL B 24 7.004 18.748 14.676 1.00 0.00 C ATOM 1433 CG1 VAL B 24 8.051 18.868 15.790 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.668 17.266 14.498 1.00 0.00 C ATOM 0 H VAL B 24 4.850 19.873 13.125 1.00 0.00 H new ATOM 0 HA VAL B 24 5.391 19.295 15.961 1.00 0.00 H new ATOM 0 HB VAL B 24 7.403 19.136 13.739 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.916 18.252 15.544 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.362 19.908 15.887 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.620 18.529 16.732 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.580 16.709 14.285 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.214 16.883 15.412 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.969 17.148 13.670 1.00 0.00 H new ATOM 1444 N ARG B 25 6.220 21.675 16.207 1.00 0.00 N ATOM 1445 CA ARG B 25 6.555 23.090 16.448 1.00 0.00 C ATOM 1446 C ARG B 25 7.830 23.202 17.282 1.00 0.00 C ATOM 1447 O ARG B 25 8.004 22.411 18.208 1.00 0.00 O ATOM 1448 CB ARG B 25 5.391 23.812 17.156 1.00 0.00 C ATOM 1449 CG ARG B 25 4.037 23.676 16.443 1.00 0.00 C ATOM 1450 CD ARG B 25 2.973 24.522 17.148 1.00 0.00 C ATOM 1451 NE ARG B 25 1.627 24.245 16.619 1.00 0.00 N ATOM 1452 CZ ARG B 25 0.493 24.786 17.017 1.00 0.00 C ATOM 1453 NH1 ARG B 25 0.453 25.763 17.882 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 -0.639 24.354 16.542 1.00 0.00 N ATOM 0 H ARG B 25 6.062 21.159 17.073 1.00 0.00 H new ATOM 0 HA ARG B 25 6.724 23.569 15.484 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.297 23.419 18.168 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.636 24.870 17.247 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.133 23.993 15.404 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.729 22.630 16.430 1.00 0.00 H new ATOM 0 HD2 ARG B 25 2.994 24.317 18.218 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.205 25.580 17.021 1.00 0.00 H new ATOM 0 HE ARG B 25 1.566 23.562 15.864 1.00 0.00 H new ATOM 0 HH11 ARG B 25 1.319 26.133 18.274 1.00 0.00 H new ATOM 0 HH12 ARG B 25 -0.444 26.156 18.166 1.00 0.00 H new ATOM 0 HH21 ARG B 25 -0.650 23.595 15.860 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -1.515 24.774 16.851 1.00 0.00 H new ATOM 1468 N ALA B 26 8.672 24.191 17.008 1.00 0.00 N ATOM 1469 CA ALA B 26 9.867 24.508 17.786 1.00 0.00 C ATOM 1470 C ALA B 26 9.767 25.885 18.473 1.00 0.00 C ATOM 1471 O ALA B 26 9.348 26.881 17.881 1.00 0.00 O ATOM 1472 CB ALA B 26 11.104 24.408 16.879 1.00 0.00 C ATOM 0 H ALA B 26 8.539 24.816 16.213 1.00 0.00 H new ATOM 0 HA ALA B 26 9.960 23.781 18.592 1.00 0.00 H new ATOM 0 HB1 ALA B 26 11.998 24.644 17.456 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.184 23.396 16.483 1.00 0.00 H new ATOM 0 HB3 ALA B 26 11.008 25.114 16.054 1.00 0.00 H new ATOM 1478 N GLU B 27 10.180 25.924 19.736 1.00 0.00 N ATOM 1479 CA GLU B 27 10.405 27.130 20.541 1.00 0.00 C ATOM 1480 C GLU B 27 11.919 27.432 20.649 1.00 0.00 C ATOM 1481 O GLU B 27 12.760 26.690 20.127 1.00 0.00 O ATOM 1482 CB GLU B 27 9.767 26.937 21.932 1.00 0.00 C ATOM 1483 CG GLU B 27 8.253 26.657 21.862 1.00 0.00 C ATOM 1484 CD GLU B 27 7.545 26.636 23.236 1.00 0.00 C ATOM 1485 OE1 GLU B 27 8.169 26.952 24.282 1.00 0.00 O ATOM 1486 OE2 GLU B 27 6.333 26.303 23.277 1.00 0.00 O1- ATOM 0 H GLU B 27 10.379 25.071 20.258 1.00 0.00 H new ATOM 0 HA GLU B 27 9.936 27.988 20.059 1.00 0.00 H new ATOM 0 HB2 GLU B 27 10.261 26.110 22.442 1.00 0.00 H new ATOM 0 HB3 GLU B 27 9.939 27.830 22.533 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.784 27.416 21.236 1.00 0.00 H new ATOM 0 HG3 GLU B 27 8.095 25.697 21.371 1.00 0.00 H new ATOM 1493 N GLY B 28 12.295 28.511 21.351 1.00 0.00 N ATOM 1494 CA GLY B 28 13.697 28.909 21.563 1.00 0.00 C ATOM 1495 C GLY B 28 14.560 27.900 22.345 1.00 0.00 C ATOM 1496 O GLY B 28 15.790 28.013 22.338 1.00 0.00 O ATOM 0 H GLY B 28 11.626 29.141 21.794 1.00 0.00 H new ATOM 0 HA2 GLY B 28 14.159 29.080 20.591 1.00 0.00 H new ATOM 0 HA3 GLY B 28 13.710 29.861 22.094 1.00 0.00 H new ATOM 1500 N GLY B 29 13.948 26.905 23.000 1.00 0.00 N ATOM 1501 CA GLY B 29 14.634 25.830 23.728 1.00 0.00 C ATOM 1502 C GLY B 29 13.754 24.613 24.038 1.00 0.00 C ATOM 1503 O GLY B 29 13.912 24.004 25.096 1.00 0.00 O ATOM 0 H GLY B 29 12.932 26.824 23.039 1.00 0.00 H new ATOM 0 HA2 GLY B 29 15.493 25.502 23.143 1.00 0.00 H new ATOM 0 HA3 GLY B 29 15.021 26.231 24.665 1.00 0.00 H new ATOM 1507 N ALA B 30 12.797 24.281 23.169 1.00 0.00 N ATOM 1508 CA ALA B 30 11.889 23.131 23.296 1.00 0.00 C ATOM 1509 C ALA B 30 11.209 22.775 21.953 1.00 0.00 C ATOM 1510 O ALA B 30 11.184 23.595 21.030 1.00 0.00 O ATOM 1511 CB ALA B 30 10.820 23.450 24.352 1.00 0.00 C ATOM 0 H ALA B 30 12.624 24.825 22.324 1.00 0.00 H new ATOM 0 HA ALA B 30 12.479 22.266 23.600 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.143 22.602 24.452 1.00 0.00 H new ATOM 0 HB2 ALA B 30 11.302 23.644 25.310 1.00 0.00 H new ATOM 0 HB3 ALA B 30 10.256 24.330 24.044 1.00 0.00 H new ATOM 1517 N VAL B 31 10.586 21.591 21.863 1.00 0.00 N ATOM 1518 CA VAL B 31 9.621 21.249 20.789 1.00 0.00 C ATOM 1519 C VAL B 31 8.302 20.679 21.316 1.00 0.00 C ATOM 1520 O VAL B 31 8.229 20.165 22.437 1.00 0.00 O ATOM 1521 CB VAL B 31 10.201 20.310 19.706 1.00 0.00 C ATOM 1522 CG1 VAL B 31 11.504 20.832 19.105 1.00 0.00 C ATOM 1523 CG2 VAL B 31 10.422 18.883 20.206 1.00 0.00 C ATOM 0 H VAL B 31 10.733 20.835 22.532 1.00 0.00 H new ATOM 0 HA VAL B 31 9.411 22.209 20.318 1.00 0.00 H new ATOM 0 HB VAL B 31 9.437 20.291 18.929 1.00 0.00 H new ATOM 0 HG11 VAL B 31 11.863 20.131 18.351 1.00 0.00 H new ATOM 0 HG12 VAL B 31 11.328 21.803 18.643 1.00 0.00 H new ATOM 0 HG13 VAL B 31 12.252 20.934 19.891 1.00 0.00 H new ATOM 0 HG21 VAL B 31 10.830 18.274 19.399 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.122 18.895 21.042 1.00 0.00 H new ATOM 0 HG23 VAL B 31 9.472 18.461 20.534 1.00 0.00 H new ATOM 1533 N ARG B 32 7.268 20.734 20.467 1.00 0.00 N ATOM 1534 CA ARG B 32 5.916 20.194 20.685 1.00 0.00 C ATOM 1535 C ARG B 32 5.458 19.396 19.458 1.00 0.00 C ATOM 1536 O ARG B 32 5.722 19.797 18.328 1.00 0.00 O ATOM 1537 CB ARG B 32 4.943 21.352 21.002 1.00 0.00 C ATOM 1538 CG ARG B 32 5.251 22.024 22.354 1.00 0.00 C ATOM 1539 CD ARG B 32 4.474 23.331 22.574 1.00 0.00 C ATOM 1540 NE ARG B 32 3.019 23.117 22.669 1.00 0.00 N ATOM 1541 CZ ARG B 32 2.105 24.021 22.964 1.00 0.00 C ATOM 1542 NH1 ARG B 32 2.403 25.268 23.197 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 0.862 23.655 23.028 1.00 0.00 N ATOM 0 H ARG B 32 7.356 21.183 19.555 1.00 0.00 H new ATOM 0 HA ARG B 32 5.927 19.512 21.535 1.00 0.00 H new ATOM 0 HB2 ARG B 32 4.998 22.097 20.208 1.00 0.00 H new ATOM 0 HB3 ARG B 32 3.921 20.972 21.012 1.00 0.00 H new ATOM 0 HG2 ARG B 32 5.015 21.329 23.160 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.320 22.230 22.414 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.827 23.810 23.487 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.684 24.016 21.753 1.00 0.00 H new ATOM 0 HE ARG B 32 2.684 22.171 22.488 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.374 25.577 23.155 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.665 25.935 23.422 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.607 22.683 22.852 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.140 24.339 23.255 1.00 0.00 H new ATOM 1557 N VAL B 33 4.784 18.267 19.678 1.00 0.00 N ATOM 1558 CA VAL B 33 4.392 17.255 18.673 1.00 0.00 C ATOM 1559 C VAL B 33 2.912 16.899 18.836 1.00 0.00 C ATOM 1560 O VAL B 33 2.488 16.609 19.956 1.00 0.00 O ATOM 1561 CB VAL B 33 5.253 15.978 18.839 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.882 14.874 17.836 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.753 16.257 18.695 1.00 0.00 C ATOM 0 H VAL B 33 4.474 18.011 20.616 1.00 0.00 H new ATOM 0 HA VAL B 33 4.554 17.670 17.678 1.00 0.00 H new ATOM 0 HB VAL B 33 5.038 15.636 19.851 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.518 14.004 18.000 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.838 14.592 17.975 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.026 15.242 16.820 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.310 15.328 18.820 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.953 16.669 17.706 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.065 16.972 19.456 1.00 0.00 H new ATOM 1573 N THR B 34 2.123 16.879 17.752 1.00 0.00 N ATOM 1574 CA THR B 34 0.654 16.640 17.792 1.00 0.00 C ATOM 1575 C THR B 34 0.194 15.611 16.745 1.00 0.00 C ATOM 1576 O THR B 34 0.584 15.695 15.578 1.00 0.00 O ATOM 1577 CB THR B 34 -0.114 17.964 17.616 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.203 18.862 18.659 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.636 17.814 17.629 1.00 0.00 C ATOM 0 H THR B 34 2.480 17.029 16.808 1.00 0.00 H new ATOM 0 HA THR B 34 0.428 16.221 18.773 1.00 0.00 H new ATOM 0 HB THR B 34 0.195 18.330 16.637 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.291 19.699 18.532 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.099 18.792 17.499 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.944 17.156 16.816 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.951 17.386 18.581 1.00 0.00 H new ATOM 1587 N THR B 35 -0.662 14.662 17.137 1.00 0.00 N ATOM 1588 CA THR B 35 -1.228 13.594 16.274 1.00 0.00 C ATOM 1589 C THR B 35 -2.679 13.868 15.858 1.00 0.00 C ATOM 1590 O THR B 35 -3.352 14.733 16.428 1.00 0.00 O ATOM 1591 CB THR B 35 -1.145 12.209 16.946 1.00 0.00 C ATOM 1592 OG1 THR B 35 -2.069 12.128 18.008 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.250 11.909 17.503 1.00 0.00 C ATOM 0 H THR B 35 -0.999 14.605 18.098 1.00 0.00 H new ATOM 0 HA THR B 35 -0.612 13.595 15.375 1.00 0.00 H new ATOM 0 HB THR B 35 -1.374 11.476 16.172 1.00 0.00 H new ATOM 0 HG1 THR B 35 -2.009 11.244 18.427 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.253 10.922 17.965 1.00 0.00 H new ATOM 0 HG22 THR B 35 0.978 11.932 16.692 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.513 12.659 18.249 1.00 0.00 H new ATOM 1601 N LEU B 36 -3.206 13.106 14.883 1.00 0.00 N ATOM 1602 CA LEU B 36 -4.607 13.199 14.442 1.00 0.00 C ATOM 1603 C LEU B 36 -5.645 12.709 15.473 1.00 0.00 C ATOM 1604 O LEU B 36 -6.842 12.929 15.292 1.00 0.00 O ATOM 1605 CB LEU B 36 -4.783 12.518 13.066 1.00 0.00 C ATOM 1606 CG LEU B 36 -5.000 10.993 13.037 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.219 10.555 11.586 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -3.791 10.240 13.588 1.00 0.00 C ATOM 0 H LEU B 36 -2.667 12.404 14.376 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.821 14.263 14.342 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.632 12.986 12.568 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.900 12.741 12.467 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.865 10.762 13.659 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.374 9.477 11.551 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.096 11.061 11.182 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.343 10.815 10.991 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.982 9.168 13.551 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -2.912 10.473 12.986 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.614 10.542 14.620 1.00 0.00 H new ATOM 1620 N PHE B 37 -5.197 12.076 16.561 1.00 0.00 N ATOM 1621 CA PHE B 37 -6.021 11.697 17.718 1.00 0.00 C ATOM 1622 C PHE B 37 -6.233 12.847 18.730 1.00 0.00 C ATOM 1623 O PHE B 37 -6.824 12.641 19.794 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.412 10.454 18.376 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.142 9.306 17.418 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -3.825 8.874 17.176 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -6.216 8.671 16.762 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -3.580 7.824 16.274 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -5.970 7.628 15.849 1.00 0.00 C ATOM 1630 CZ PHE B 37 -4.652 7.205 15.607 1.00 0.00 C ATOM 0 H PHE B 37 -4.220 11.803 16.667 1.00 0.00 H new ATOM 0 HA PHE B 37 -7.023 11.465 17.356 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.477 10.735 18.860 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.085 10.106 19.160 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -3.000 9.350 17.685 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -7.230 8.985 16.960 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -2.568 7.493 16.093 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -6.793 7.154 15.335 1.00 0.00 H new ATOM 0 HZ PHE B 37 -4.462 6.404 14.908 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.741 14.051 18.416 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.669 15.231 19.295 1.00 0.00 C ATOM 1642 C ASP B 38 -4.781 15.038 20.549 1.00 0.00 C ATOM 1643 O ASP B 38 -4.834 15.832 21.492 1.00 0.00 O ATOM 1644 CB ASP B 38 -7.059 15.817 19.613 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.927 16.118 18.375 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -7.390 16.477 17.300 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -9.177 16.055 18.495 1.00 0.00 O1- ATOM 0 H ASP B 38 -5.360 14.242 17.489 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.145 15.989 18.712 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.595 15.118 20.255 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -6.929 16.738 20.182 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.935 14.003 20.569 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.875 13.828 21.570 1.00 0.00 C ATOM 1654 C GLU B 39 -1.671 14.736 21.275 1.00 0.00 C ATOM 1655 O GLU B 39 -1.356 15.027 20.117 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.421 12.358 21.645 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.529 11.366 22.046 1.00 0.00 C ATOM 1658 CD GLU B 39 -4.169 11.655 23.419 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -5.362 11.307 23.618 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -3.488 12.189 24.333 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.967 13.251 19.880 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.292 14.114 22.536 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.022 12.064 20.674 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.604 12.280 22.362 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.308 11.381 21.284 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.113 10.359 22.056 1.00 0.00 H new ATOM 1667 N GLU B 40 -0.983 15.172 22.333 1.00 0.00 N ATOM 1668 CA GLU B 40 0.164 16.083 22.263 1.00 0.00 C ATOM 1669 C GLU B 40 1.302 15.650 23.202 1.00 0.00 C ATOM 1670 O GLU B 40 1.071 15.208 24.333 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.301 17.526 22.545 1.00 0.00 C ATOM 1672 CG GLU B 40 0.819 18.575 22.435 1.00 0.00 C ATOM 1673 CD GLU B 40 0.334 20.027 22.636 1.00 0.00 C ATOM 1674 OE1 GLU B 40 1.164 20.952 22.466 1.00 0.00 O ATOM 1675 OE2 GLU B 40 -0.841 20.277 23.001 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.214 14.895 23.287 1.00 0.00 H new ATOM 0 HA GLU B 40 0.576 16.044 21.255 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -1.097 17.784 21.846 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.729 17.570 23.546 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.587 18.352 23.176 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.288 18.491 21.455 1.00 0.00 H new ATOM 1682 N HIS B 41 2.543 15.807 22.732 1.00 0.00 N ATOM 1683 CA HIS B 41 3.791 15.531 23.451 1.00 0.00 C ATOM 1684 C HIS B 41 4.707 16.763 23.407 1.00 0.00 C ATOM 1685 O HIS B 41 4.689 17.507 22.426 1.00 0.00 O ATOM 1686 CB HIS B 41 4.485 14.302 22.839 1.00 0.00 C ATOM 1687 CG HIS B 41 3.586 13.098 22.666 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.345 12.107 23.623 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.856 12.809 21.548 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.488 11.243 23.052 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.180 11.636 21.806 1.00 0.00 N ATOM 0 H HIS B 41 2.714 16.149 21.786 1.00 0.00 H new ATOM 0 HA HIS B 41 3.567 15.313 24.495 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.894 14.577 21.867 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.328 14.023 23.472 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.816 13.388 20.637 1.00 0.00 H new ATOM 0 HE1 HIS B 41 2.101 10.355 23.530 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.555 11.151 21.162 1.00 0.00 H new ATOM 1699 N ALA B 42 5.520 16.978 24.441 1.00 0.00 N ATOM 1700 CA ALA B 42 6.444 18.115 24.533 1.00 0.00 C ATOM 1701 C ALA B 42 7.791 17.724 25.169 1.00 0.00 C ATOM 1702 O ALA B 42 7.841 16.893 26.082 1.00 0.00 O ATOM 1703 CB ALA B 42 5.758 19.249 25.301 1.00 0.00 C ATOM 0 H ALA B 42 5.558 16.360 25.252 1.00 0.00 H new ATOM 0 HA ALA B 42 6.684 18.456 23.526 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.435 20.100 25.376 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.853 19.551 24.773 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.496 18.905 26.302 1.00 0.00 H new ATOM 1709 N PHE B 43 8.873 18.335 24.680 1.00 0.00 N ATOM 1710 CA PHE B 43 10.259 17.978 25.007 1.00 0.00 C ATOM 1711 C PHE B 43 11.132 19.236 25.173 1.00 0.00 C ATOM 1712 O PHE B 43 11.499 19.855 24.168 1.00 0.00 O ATOM 1713 CB PHE B 43 10.814 17.045 23.916 1.00 0.00 C ATOM 1714 CG PHE B 43 10.023 15.760 23.723 1.00 0.00 C ATOM 1715 CD1 PHE B 43 9.069 15.668 22.689 1.00 0.00 C ATOM 1716 CD2 PHE B 43 10.198 14.686 24.613 1.00 0.00 C ATOM 1717 CE1 PHE B 43 8.291 14.509 22.556 1.00 0.00 C ATOM 1718 CE2 PHE B 43 9.421 13.518 24.474 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.462 13.435 23.453 1.00 0.00 C ATOM 0 H PHE B 43 8.809 19.115 24.026 1.00 0.00 H new ATOM 0 HA PHE B 43 10.278 17.452 25.962 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.839 17.587 22.971 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.844 16.789 24.164 1.00 0.00 H new ATOM 0 HD1 PHE B 43 8.938 16.489 22.000 1.00 0.00 H new ATOM 0 HD2 PHE B 43 10.929 14.756 25.405 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.559 14.439 21.765 1.00 0.00 H new ATOM 0 HE2 PHE B 43 9.563 12.689 25.152 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.854 12.548 23.354 1.00 0.00 H new ATOM 1729 N PRO B 44 11.479 19.635 26.414 1.00 0.00 N ATOM 1730 CA PRO B 44 12.413 20.732 26.652 1.00 0.00 C ATOM 1731 C PRO B 44 13.849 20.351 26.268 1.00 0.00 C ATOM 1732 O PRO B 44 14.295 19.216 26.467 1.00 0.00 O ATOM 1733 CB PRO B 44 12.280 21.071 28.142 1.00 0.00 C ATOM 1734 CG PRO B 44 11.893 19.734 28.774 1.00 0.00 C ATOM 1735 CD PRO B 44 11.051 19.062 27.688 1.00 0.00 C ATOM 0 HA PRO B 44 12.180 21.597 26.032 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.214 21.454 28.552 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.520 21.833 28.315 1.00 0.00 H new ATOM 0 HG2 PRO B 44 12.771 19.140 29.028 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.326 19.873 29.694 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.198 17.982 27.696 1.00 0.00 H new ATOM 0 HD3 PRO B 44 9.989 19.240 27.856 1.00 0.00 H new ATOM 1743 N GLY B 45 14.589 21.319 25.723 1.00 0.00 N ATOM 1744 CA GLY B 45 16.002 21.203 25.344 1.00 0.00 C ATOM 1745 C GLY B 45 16.243 20.593 23.963 1.00 0.00 C ATOM 1746 O GLY B 45 17.395 20.396 23.579 1.00 0.00 O ATOM 0 H GLY B 45 14.206 22.243 25.525 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.455 22.194 25.373 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.516 20.596 26.089 1.00 0.00 H new ATOM 1750 N LEU B 46 15.188 20.312 23.194 1.00 0.00 N ATOM 1751 CA LEU B 46 15.270 19.884 21.795 1.00 0.00 C ATOM 1752 C LEU B 46 14.914 21.020 20.820 1.00 0.00 C ATOM 1753 O LEU B 46 14.248 21.993 21.180 1.00 0.00 O ATOM 1754 CB LEU B 46 14.373 18.647 21.553 1.00 0.00 C ATOM 1755 CG LEU B 46 14.666 17.407 22.419 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.829 16.221 21.928 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.132 16.975 22.372 1.00 0.00 C ATOM 0 H LEU B 46 14.229 20.377 23.535 1.00 0.00 H new ATOM 0 HA LEU B 46 16.306 19.608 21.598 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.336 18.940 21.716 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.462 18.360 20.505 1.00 0.00 H new ATOM 0 HG LEU B 46 14.417 17.689 23.442 1.00 0.00 H new ATOM 0 HD11 LEU B 46 14.040 15.347 22.544 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.770 16.468 22.000 1.00 0.00 H new ATOM 0 HD13 LEU B 46 14.081 16.003 20.890 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.273 16.097 23.002 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.407 16.733 21.345 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.762 17.787 22.735 1.00 0.00 H new ATOM 1769 N ALA B 47 15.321 20.842 19.563 1.00 0.00 N ATOM 1770 CA ALA B 47 14.870 21.581 18.377 1.00 0.00 C ATOM 1771 C ALA B 47 14.617 20.605 17.201 1.00 0.00 C ATOM 1772 O ALA B 47 15.118 19.476 17.192 1.00 0.00 O ATOM 1773 CB ALA B 47 15.908 22.652 18.026 1.00 0.00 C ATOM 0 H ALA B 47 16.018 20.135 19.328 1.00 0.00 H new ATOM 0 HA ALA B 47 13.924 22.081 18.585 1.00 0.00 H new ATOM 0 HB1 ALA B 47 15.578 23.204 17.146 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.019 23.339 18.865 1.00 0.00 H new ATOM 0 HB3 ALA B 47 16.866 22.176 17.818 1.00 0.00 H new ATOM 1779 N ILE B 48 13.859 21.041 16.186 1.00 0.00 N ATOM 1780 CA ILE B 48 13.658 20.279 14.940 1.00 0.00 C ATOM 1781 C ILE B 48 14.982 20.266 14.160 1.00 0.00 C ATOM 1782 O ILE B 48 15.474 21.317 13.745 1.00 0.00 O ATOM 1783 CB ILE B 48 12.496 20.846 14.090 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.151 20.835 14.861 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.345 20.031 12.788 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.089 21.738 14.216 1.00 0.00 C ATOM 0 H ILE B 48 13.366 21.934 16.203 1.00 0.00 H new ATOM 0 HA ILE B 48 13.370 19.257 15.187 1.00 0.00 H new ATOM 0 HB ILE B 48 12.742 21.882 13.857 1.00 0.00 H new ATOM 0 HG12 ILE B 48 10.773 19.814 14.909 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.323 21.160 15.887 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.525 20.438 12.197 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.270 20.088 12.213 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.134 18.990 13.033 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.169 21.691 14.798 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.451 22.766 14.193 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.893 21.399 13.199 1.00 0.00 H new ATOM 1798 N GLY B 49 15.573 19.084 13.986 1.00 0.00 N ATOM 1799 CA GLY B 49 16.870 18.906 13.329 1.00 0.00 C ATOM 1800 C GLY B 49 16.743 18.757 11.817 1.00 0.00 C ATOM 1801 O GLY B 49 17.154 19.638 11.064 1.00 0.00 O ATOM 0 H GLY B 49 15.158 18.208 14.303 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.508 19.761 13.554 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.363 18.024 13.738 1.00 0.00 H new ATOM 1805 N ARG B 50 16.168 17.635 11.368 1.00 0.00 N ATOM 1806 CA ARG B 50 16.052 17.277 9.944 1.00 0.00 C ATOM 1807 C ARG B 50 14.708 16.625 9.629 1.00 0.00 C ATOM 1808 O ARG B 50 14.187 15.828 10.406 1.00 0.00 O ATOM 1809 CB ARG B 50 17.228 16.383 9.505 1.00 0.00 C ATOM 1810 CG ARG B 50 18.599 17.057 9.700 1.00 0.00 C ATOM 1811 CD ARG B 50 19.746 16.276 9.047 1.00 0.00 C ATOM 1812 NE ARG B 50 21.055 16.919 9.323 1.00 0.00 N ATOM 1813 CZ ARG B 50 21.920 16.619 10.275 1.00 0.00 C ATOM 1814 NH1 ARG B 50 21.717 15.647 11.122 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 23.022 17.298 10.399 1.00 0.00 N ATOM 0 H ARG B 50 15.763 16.937 11.992 1.00 0.00 H new ATOM 0 HA ARG B 50 16.099 18.202 9.369 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.202 15.453 10.073 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.105 16.119 8.455 1.00 0.00 H new ATOM 0 HG2 ARG B 50 18.567 18.063 9.281 1.00 0.00 H new ATOM 0 HG3 ARG B 50 18.798 17.162 10.766 1.00 0.00 H new ATOM 0 HD2 ARG B 50 19.754 15.253 9.423 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.585 16.219 7.970 1.00 0.00 H new ATOM 0 HE ARG B 50 21.318 17.685 8.703 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.866 15.088 11.062 1.00 0.00 H new ATOM 0 HH12 ARG B 50 22.409 15.446 11.844 1.00 0.00 H new ATOM 0 HH21 ARG B 50 23.222 18.067 9.759 1.00 0.00 H new ATOM 0 HH22 ARG B 50 23.686 17.062 11.136 1.00 0.00 H new ATOM 1829 N VAL B 51 14.163 16.957 8.466 1.00 0.00 N ATOM 1830 CA VAL B 51 12.860 16.535 7.944 1.00 0.00 C ATOM 1831 C VAL B 51 13.068 15.795 6.627 1.00 0.00 C ATOM 1832 O VAL B 51 13.785 16.276 5.746 1.00 0.00 O ATOM 1833 CB VAL B 51 11.935 17.757 7.730 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.543 17.348 7.225 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.754 18.565 9.020 1.00 0.00 C ATOM 0 H VAL B 51 14.650 17.571 7.813 1.00 0.00 H new ATOM 0 HA VAL B 51 12.382 15.873 8.666 1.00 0.00 H new ATOM 0 HB VAL B 51 12.429 18.370 6.976 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.929 18.238 7.089 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.640 16.826 6.273 1.00 0.00 H new ATOM 0 HG13 VAL B 51 10.071 16.689 7.954 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.098 19.414 8.828 1.00 0.00 H new ATOM 0 HG22 VAL B 51 11.311 17.930 9.788 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.724 18.926 9.363 1.00 0.00 H new ATOM 1845 N ASP B 52 12.424 14.643 6.477 1.00 0.00 N ATOM 1846 CA ASP B 52 12.515 13.782 5.299 1.00 0.00 C ATOM 1847 C ASP B 52 11.127 13.214 4.994 1.00 0.00 C ATOM 1848 O ASP B 52 10.736 12.169 5.517 1.00 0.00 O ATOM 1849 CB ASP B 52 13.574 12.698 5.573 1.00 0.00 C ATOM 1850 CG ASP B 52 13.779 11.705 4.417 1.00 0.00 C ATOM 1851 OD1 ASP B 52 14.714 10.871 4.514 1.00 0.00 O ATOM 1852 OD2 ASP B 52 12.998 11.712 3.437 1.00 0.00 O1- ATOM 0 H ASP B 52 11.803 14.269 7.195 1.00 0.00 H new ATOM 0 HA ASP B 52 12.833 14.331 4.413 1.00 0.00 H new ATOM 0 HB2 ASP B 52 14.525 13.183 5.792 1.00 0.00 H new ATOM 0 HB3 ASP B 52 13.286 12.143 6.466 1.00 0.00 H new ATOM 1857 N LEU B 53 10.355 13.918 4.166 1.00 0.00 N ATOM 1858 CA LEU B 53 8.997 13.524 3.764 1.00 0.00 C ATOM 1859 C LEU B 53 8.979 12.380 2.730 1.00 0.00 C ATOM 1860 O LEU B 53 7.937 11.751 2.531 1.00 0.00 O ATOM 1861 CB LEU B 53 8.249 14.758 3.222 1.00 0.00 C ATOM 1862 CG LEU B 53 8.226 15.994 4.135 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.332 17.065 3.516 1.00 0.00 C ATOM 1864 CD2 LEU B 53 7.694 15.682 5.534 1.00 0.00 C ATOM 0 H LEU B 53 10.659 14.796 3.745 1.00 0.00 H new ATOM 0 HA LEU B 53 8.492 13.138 4.649 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.701 15.043 2.272 1.00 0.00 H new ATOM 0 HB3 LEU B 53 7.219 14.469 3.011 1.00 0.00 H new ATOM 0 HG LEU B 53 9.256 16.338 4.230 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.315 17.942 4.162 1.00 0.00 H new ATOM 0 HD12 LEU B 53 7.722 17.343 2.537 1.00 0.00 H new ATOM 0 HD13 LEU B 53 6.320 16.675 3.406 1.00 0.00 H new ATOM 0 HD21 LEU B 53 7.700 16.590 6.136 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.675 15.302 5.459 1.00 0.00 H new ATOM 0 HD23 LEU B 53 8.328 14.930 6.005 1.00 0.00 H new ATOM 1876 N ARG B 54 10.128 12.062 2.117 1.00 0.00 N ATOM 1877 CA ARG B 54 10.300 10.891 1.239 1.00 0.00 C ATOM 1878 C ARG B 54 10.291 9.593 2.053 1.00 0.00 C ATOM 1879 O ARG B 54 9.642 8.631 1.653 1.00 0.00 O ATOM 1880 CB ARG B 54 11.584 11.103 0.409 1.00 0.00 C ATOM 1881 CG ARG B 54 11.992 9.907 -0.462 1.00 0.00 C ATOM 1882 CD ARG B 54 13.201 10.237 -1.348 1.00 0.00 C ATOM 1883 NE ARG B 54 14.358 10.732 -0.566 1.00 0.00 N ATOM 1884 CZ ARG B 54 15.284 10.017 0.049 1.00 0.00 C ATOM 1885 NH1 ARG B 54 15.311 8.712 -0.005 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 16.214 10.606 0.743 1.00 0.00 N ATOM 0 H ARG B 54 10.977 12.618 2.217 1.00 0.00 H new ATOM 0 HA ARG B 54 9.465 10.791 0.545 1.00 0.00 H new ATOM 0 HB2 ARG B 54 11.445 11.972 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG B 54 12.404 11.337 1.088 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.230 9.056 0.176 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.151 9.610 -1.089 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.495 9.346 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.914 10.989 -2.083 1.00 0.00 H new ATOM 0 HE ARG B 54 14.451 11.745 -0.494 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.600 8.209 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.043 8.196 0.484 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.230 11.623 0.814 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.927 10.050 1.216 1.00 0.00 H new ATOM 1900 N SER B 55 10.931 9.598 3.225 1.00 0.00 N ATOM 1901 CA SER B 55 10.838 8.540 4.249 1.00 0.00 C ATOM 1902 C SER B 55 9.606 8.674 5.169 1.00 0.00 C ATOM 1903 O SER B 55 9.068 7.673 5.657 1.00 0.00 O ATOM 1904 CB SER B 55 12.131 8.560 5.083 1.00 0.00 C ATOM 1905 OG SER B 55 12.202 7.457 5.971 1.00 0.00 O ATOM 0 H SER B 55 11.549 10.360 3.502 1.00 0.00 H new ATOM 0 HA SER B 55 10.716 7.588 3.732 1.00 0.00 H new ATOM 0 HB2 SER B 55 12.994 8.546 4.417 1.00 0.00 H new ATOM 0 HB3 SER B 55 12.182 9.488 5.652 1.00 0.00 H new ATOM 0 HG SER B 55 13.037 7.502 6.483 1.00 0.00 H new ATOM 1911 N GLY B 56 9.123 9.904 5.385 1.00 0.00 N ATOM 1912 CA GLY B 56 8.039 10.257 6.317 1.00 0.00 C ATOM 1913 C GLY B 56 8.511 10.501 7.762 1.00 0.00 C ATOM 1914 O GLY B 56 7.782 10.192 8.708 1.00 0.00 O ATOM 0 H GLY B 56 9.492 10.718 4.894 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.538 11.154 5.953 1.00 0.00 H new ATOM 0 HA3 GLY B 56 7.299 9.457 6.318 1.00 0.00 H new ATOM 1918 N VAL B 57 9.745 10.982 7.947 1.00 0.00 N ATOM 1919 CA VAL B 57 10.449 11.085 9.244 1.00 0.00 C ATOM 1920 C VAL B 57 10.786 12.536 9.613 1.00 0.00 C ATOM 1921 O VAL B 57 11.184 13.329 8.757 1.00 0.00 O ATOM 1922 CB VAL B 57 11.721 10.203 9.244 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.560 10.329 10.526 1.00 0.00 C ATOM 1924 CG2 VAL B 57 11.368 8.719 9.084 1.00 0.00 C ATOM 0 H VAL B 57 10.309 11.326 7.170 1.00 0.00 H new ATOM 0 HA VAL B 57 9.768 10.716 10.011 1.00 0.00 H new ATOM 0 HB VAL B 57 12.306 10.568 8.400 1.00 0.00 H new ATOM 0 HG11 VAL B 57 13.435 9.683 10.453 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.882 11.363 10.650 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.959 10.031 11.385 1.00 0.00 H new ATOM 0 HG21 VAL B 57 12.282 8.125 9.088 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.729 8.406 9.909 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.842 8.570 8.141 1.00 0.00 H new ATOM 1934 N ILE B 58 10.680 12.858 10.909 1.00 0.00 N ATOM 1935 CA ILE B 58 11.168 14.107 11.526 1.00 0.00 C ATOM 1936 C ILE B 58 12.141 13.757 12.666 1.00 0.00 C ATOM 1937 O ILE B 58 11.747 13.195 13.692 1.00 0.00 O ATOM 1938 CB ILE B 58 9.985 14.984 12.002 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.113 15.425 10.798 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.479 16.220 12.781 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.761 16.027 11.190 1.00 0.00 C ATOM 0 H ILE B 58 10.236 12.236 11.585 1.00 0.00 H new ATOM 0 HA ILE B 58 11.709 14.700 10.789 1.00 0.00 H new ATOM 0 HB ILE B 58 9.377 14.380 12.676 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.668 16.157 10.211 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.941 14.563 10.153 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.623 16.814 13.101 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.044 15.897 13.656 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.120 16.823 12.138 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.214 16.309 10.291 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.184 15.291 11.750 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.922 16.910 11.809 1.00 0.00 H new ATOM 1953 N SER B 59 13.419 14.078 12.487 1.00 0.00 N ATOM 1954 CA SER B 59 14.497 13.831 13.452 1.00 0.00 C ATOM 1955 C SER B 59 14.769 15.074 14.308 1.00 0.00 C ATOM 1956 O SER B 59 15.099 16.144 13.792 1.00 0.00 O ATOM 1957 CB SER B 59 15.753 13.379 12.696 1.00 0.00 C ATOM 1958 OG SER B 59 16.810 13.066 13.585 1.00 0.00 O ATOM 0 H SER B 59 13.749 14.534 11.636 1.00 0.00 H new ATOM 0 HA SER B 59 14.194 13.039 14.137 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.518 12.506 12.087 1.00 0.00 H new ATOM 0 HB3 SER B 59 16.071 14.167 12.014 1.00 0.00 H new ATOM 0 HG SER B 59 17.595 12.780 13.072 1.00 0.00 H new ATOM 1964 N LEU B 60 14.641 14.928 15.630 1.00 0.00 N ATOM 1965 CA LEU B 60 14.931 15.972 16.621 1.00 0.00 C ATOM 1966 C LEU B 60 16.397 15.921 17.095 1.00 0.00 C ATOM 1967 O LEU B 60 17.021 14.856 17.116 1.00 0.00 O ATOM 1968 CB LEU B 60 13.950 15.848 17.801 1.00 0.00 C ATOM 1969 CG LEU B 60 12.456 15.879 17.421 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.612 15.691 18.676 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.053 17.195 16.757 1.00 0.00 C ATOM 0 H LEU B 60 14.324 14.056 16.054 1.00 0.00 H new ATOM 0 HA LEU B 60 14.794 16.945 16.150 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.155 14.915 18.326 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.147 16.659 18.502 1.00 0.00 H new ATOM 0 HG LEU B 60 12.286 15.073 16.707 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.555 15.713 18.410 1.00 0.00 H new ATOM 0 HD12 LEU B 60 11.851 14.732 19.135 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.825 16.494 19.381 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.992 17.167 16.509 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.244 18.021 17.442 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.635 17.336 15.846 1.00 0.00 H new ATOM 1983 N ILE B 61 16.933 17.076 17.497 1.00 0.00 N ATOM 1984 CA ILE B 61 18.309 17.258 18.006 1.00 0.00 C ATOM 1985 C ILE B 61 18.325 18.101 19.289 1.00 0.00 C ATOM 1986 O ILE B 61 17.397 18.862 19.558 1.00 0.00 O ATOM 1987 CB ILE B 61 19.256 17.851 16.934 1.00 0.00 C ATOM 1988 CG1 ILE B 61 18.852 19.273 16.474 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.384 16.896 15.728 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.617 20.397 17.188 1.00 0.00 C ATOM 0 H ILE B 61 16.406 17.949 17.479 1.00 0.00 H new ATOM 0 HA ILE B 61 18.688 16.266 18.252 1.00 0.00 H new ATOM 0 HB ILE B 61 20.231 17.954 17.411 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.019 19.358 15.400 1.00 0.00 H new ATOM 0 HG13 ILE B 61 17.784 19.409 16.643 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.054 17.333 14.987 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.787 15.940 16.062 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.402 16.740 15.282 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.279 21.363 16.812 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.431 20.339 18.260 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.685 20.288 16.999 1.00 0.00 H new ATOM 2002 N GLU B 62 19.400 17.979 20.065 1.00 0.00 N ATOM 2003 CA GLU B 62 19.606 18.732 21.307 1.00 0.00 C ATOM 2004 C GLU B 62 20.002 20.190 21.022 1.00 0.00 C ATOM 2005 O GLU B 62 21.064 20.463 20.448 1.00 0.00 O ATOM 2006 CB GLU B 62 20.669 18.048 22.188 1.00 0.00 C ATOM 2007 CG GLU B 62 20.241 16.651 22.668 1.00 0.00 C ATOM 2008 CD GLU B 62 21.310 16.001 23.569 1.00 0.00 C ATOM 2009 OE1 GLU B 62 21.843 16.674 24.485 1.00 0.00 O ATOM 2010 OE2 GLU B 62 21.620 14.794 23.376 1.00 0.00 O1- ATOM 0 H GLU B 62 20.168 17.344 19.847 1.00 0.00 H new ATOM 0 HA GLU B 62 18.659 18.742 21.847 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.600 17.964 21.627 1.00 0.00 H new ATOM 0 HB3 GLU B 62 20.875 18.677 23.054 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.302 16.727 23.216 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.056 16.011 21.805 1.00 0.00 H new