USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 321 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 Set 1.1: A 4 SER OG : rot 180:sc= 0.0219 USER MOD Set 1.2: A 7 HIS : no HD1:sc= -0.0439 K(o=-0.022,f=-1.7) USER MOD Single : A 1 ILE N :NH3+ 137:sc= 0.0623 (180deg=-0.0116) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= -0.541 (180deg=-0.983) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 20.124 -6.626 -6.670 1.00 0.00 N ATOM 2 CA ILE A 1 19.134 -7.107 -5.689 1.00 0.00 C ATOM 3 C ILE A 1 18.628 -5.873 -4.932 1.00 0.00 C ATOM 4 O ILE A 1 19.469 -5.057 -4.553 1.00 0.00 O ATOM 5 CB ILE A 1 19.748 -8.221 -4.802 1.00 0.00 C ATOM 6 CG1 ILE A 1 18.653 -8.866 -3.928 1.00 0.00 C ATOM 7 CG2 ILE A 1 20.982 -7.761 -3.998 1.00 0.00 C ATOM 8 CD1 ILE A 1 19.129 -10.071 -3.109 1.00 0.00 C ATOM 0 H1 ILE A 1 20.946 -7.263 -6.675 1.00 0.00 H new ATOM 0 H2 ILE A 1 19.694 -6.608 -7.617 1.00 0.00 H new ATOM 0 H3 ILE A 1 20.432 -5.667 -6.411 1.00 0.00 H new ATOM 0 HA ILE A 1 18.274 -7.588 -6.156 1.00 0.00 H new ATOM 0 HB ILE A 1 20.142 -8.991 -5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 1 18.257 -8.112 -3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 1 17.830 -9.180 -4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 1 21.358 -8.592 -3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 1 21.760 -7.427 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 1 20.701 -6.939 -3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 1 18.298 -10.464 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 1 19.497 -10.846 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 1 19.931 -9.761 -2.439 1.00 0.00 H new ATOM 20 N PRO A 2 17.310 -5.679 -4.759 1.00 0.00 N ATOM 21 CA PRO A 2 16.744 -4.521 -4.067 1.00 0.00 C ATOM 22 C PRO A 2 16.926 -4.612 -2.537 1.00 0.00 C ATOM 23 O PRO A 2 15.948 -4.632 -1.793 1.00 0.00 O ATOM 24 CB PRO A 2 15.275 -4.506 -4.518 1.00 0.00 C ATOM 25 CG PRO A 2 14.941 -5.990 -4.640 1.00 0.00 C ATOM 26 CD PRO A 2 16.241 -6.578 -5.185 1.00 0.00 C ATOM 0 HA PRO A 2 17.246 -3.586 -4.317 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.634 -4.006 -3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.149 -3.984 -5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.671 -6.425 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.103 -6.163 -5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.403 -7.585 -4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.207 -6.654 -6.272 1.00 0.00 H new ATOM 34 N SER A 3 18.170 -4.624 -2.054 1.00 0.00 N ATOM 35 CA SER A 3 18.481 -4.725 -0.626 1.00 0.00 C ATOM 36 C SER A 3 18.894 -3.394 0.012 1.00 0.00 C ATOM 37 O SER A 3 18.901 -3.291 1.235 1.00 0.00 O ATOM 38 CB SER A 3 19.568 -5.786 -0.427 1.00 0.00 C ATOM 39 OG SER A 3 19.193 -6.993 -1.068 1.00 0.00 O ATOM 0 H SER A 3 18.997 -4.563 -2.648 1.00 0.00 H new ATOM 0 HA SER A 3 17.564 -5.018 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.515 -5.429 -0.832 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.724 -5.963 0.637 1.00 0.00 H new ATOM 0 HG SER A 3 19.894 -7.665 -0.937 1.00 0.00 H new ATOM 45 N SER A 4 19.227 -2.361 -0.774 1.00 0.00 N ATOM 46 CA SER A 4 19.620 -1.063 -0.218 1.00 0.00 C ATOM 47 C SER A 4 18.442 -0.503 0.608 1.00 0.00 C ATOM 48 O SER A 4 17.295 -0.727 0.208 1.00 0.00 O ATOM 49 CB SER A 4 20.026 -0.109 -1.351 1.00 0.00 C ATOM 50 OG SER A 4 20.612 -0.814 -2.433 1.00 0.00 O ATOM 0 H SER A 4 19.232 -2.401 -1.793 1.00 0.00 H new ATOM 0 HA SER A 4 20.484 -1.174 0.438 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.150 0.436 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.731 0.631 -0.972 1.00 0.00 H new ATOM 0 HG SER A 4 20.859 -0.182 -3.140 1.00 0.00 H new ATOM 56 N PRO A 5 18.668 0.304 1.663 1.00 0.00 N ATOM 57 CA PRO A 5 17.603 0.842 2.515 1.00 0.00 C ATOM 58 C PRO A 5 16.469 1.570 1.783 1.00 0.00 C ATOM 59 O PRO A 5 15.328 1.532 2.248 1.00 0.00 O ATOM 60 CB PRO A 5 18.294 1.708 3.576 1.00 0.00 C ATOM 61 CG PRO A 5 19.718 1.903 3.053 1.00 0.00 C ATOM 62 CD PRO A 5 19.966 0.652 2.215 1.00 0.00 C ATOM 0 HA PRO A 5 17.062 0.011 2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.784 2.663 3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 5 18.294 1.217 4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.805 2.810 2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.436 1.989 3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 5 20.692 0.844 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.365 -0.158 2.825 1.00 0.00 H new ATOM 70 N VAL A 6 16.741 2.211 0.644 1.00 0.00 N ATOM 71 CA VAL A 6 15.712 2.910 -0.126 1.00 0.00 C ATOM 72 C VAL A 6 14.640 1.924 -0.617 1.00 0.00 C ATOM 73 O VAL A 6 13.476 2.308 -0.727 1.00 0.00 O ATOM 74 CB VAL A 6 16.348 3.717 -1.279 1.00 0.00 C ATOM 75 CG1 VAL A 6 17.163 4.891 -0.716 1.00 0.00 C ATOM 76 CG2 VAL A 6 17.258 2.879 -2.196 1.00 0.00 C ATOM 0 H VAL A 6 17.673 2.260 0.233 1.00 0.00 H new ATOM 0 HA VAL A 6 15.210 3.627 0.523 1.00 0.00 H new ATOM 0 HB VAL A 6 15.515 4.072 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.607 5.453 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 6 16.508 5.546 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 6 17.953 4.509 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.668 3.514 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 6 18.073 2.455 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.678 2.074 -2.647 1.00 0.00 H new ATOM 86 N HIS A 7 15.003 0.663 -0.889 1.00 0.00 N ATOM 87 CA HIS A 7 14.066 -0.355 -1.343 1.00 0.00 C ATOM 88 C HIS A 7 13.145 -0.704 -0.189 1.00 0.00 C ATOM 89 O HIS A 7 11.933 -0.687 -0.363 1.00 0.00 O ATOM 90 CB HIS A 7 14.781 -1.613 -1.835 1.00 0.00 C ATOM 91 CG HIS A 7 15.753 -1.321 -2.938 1.00 0.00 C ATOM 92 ND1 HIS A 7 17.096 -1.105 -2.765 1.00 0.00 N ATOM 93 CD2 HIS A 7 15.461 -1.162 -4.265 1.00 0.00 C ATOM 94 CE1 HIS A 7 17.613 -0.811 -3.969 1.00 0.00 C ATOM 95 NE2 HIS A 7 16.657 -0.847 -4.910 1.00 0.00 N ATOM 0 H HIS A 7 15.961 0.326 -0.797 1.00 0.00 H new ATOM 0 HA HIS A 7 13.500 0.042 -2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 7 15.309 -2.077 -1.002 1.00 0.00 H new ATOM 0 HB3 HIS A 7 14.043 -2.334 -2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 7 14.489 -1.261 -4.726 1.00 0.00 H new ATOM 0 HE1 HIS A 7 18.651 -0.578 -4.154 1.00 0.00 H new ATOM 0 HE2 HIS A 7 16.781 -0.676 -5.908 1.00 0.00 H new ATOM 103 N LEU A 8 13.708 -0.971 0.997 1.00 0.00 N ATOM 104 CA LEU A 8 12.942 -1.306 2.196 1.00 0.00 C ATOM 105 C LEU A 8 11.930 -0.186 2.440 1.00 0.00 C ATOM 106 O LEU A 8 10.758 -0.449 2.708 1.00 0.00 O ATOM 107 CB LEU A 8 13.864 -1.494 3.416 1.00 0.00 C ATOM 108 CG LEU A 8 14.597 -2.851 3.490 1.00 0.00 C ATOM 109 CD1 LEU A 8 15.595 -3.075 2.347 1.00 0.00 C ATOM 110 CD2 LEU A 8 15.350 -2.934 4.823 1.00 0.00 C ATOM 0 H LEU A 8 14.717 -0.959 1.148 1.00 0.00 H new ATOM 0 HA LEU A 8 12.423 -2.253 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.609 -0.698 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.270 -1.372 4.321 1.00 0.00 H new ATOM 0 HG LEU A 8 13.835 -3.626 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.071 -4.048 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.069 -3.042 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.355 -2.294 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.872 -3.889 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.073 -2.120 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.641 -2.852 5.647 1.00 0.00 H new ATOM 122 N LYS A 9 12.376 1.071 2.322 1.00 0.00 N ATOM 123 CA LYS A 9 11.529 2.247 2.495 1.00 0.00 C ATOM 124 C LYS A 9 10.414 2.213 1.450 1.00 0.00 C ATOM 125 O LYS A 9 9.244 2.281 1.824 1.00 0.00 O ATOM 126 CB LYS A 9 12.383 3.534 2.417 1.00 0.00 C ATOM 127 CG LYS A 9 12.580 4.240 3.771 1.00 0.00 C ATOM 128 CD LYS A 9 13.380 3.412 4.793 1.00 0.00 C ATOM 129 CE LYS A 9 13.849 4.246 6.001 1.00 0.00 C ATOM 130 NZ LYS A 9 12.740 4.770 6.838 1.00 0.00 N ATOM 0 H LYS A 9 13.346 1.297 2.101 1.00 0.00 H new ATOM 0 HA LYS A 9 11.063 2.242 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.360 3.284 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.911 4.229 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.092 5.188 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.603 4.475 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.764 2.585 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.248 2.975 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.501 3.632 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.447 5.084 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.132 5.319 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.129 5.382 6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.182 3.976 7.211 1.00 0.00 H new ATOM 144 N ARG A 10 10.733 2.086 0.157 1.00 0.00 N ATOM 145 CA ARG A 10 9.728 2.037 -0.900 1.00 0.00 C ATOM 146 C ARG A 10 8.759 0.868 -0.725 1.00 0.00 C ATOM 147 O ARG A 10 7.594 1.034 -1.062 1.00 0.00 O ATOM 148 CB ARG A 10 10.412 1.977 -2.279 1.00 0.00 C ATOM 149 CG ARG A 10 10.567 3.374 -2.901 1.00 0.00 C ATOM 150 CD ARG A 10 11.136 3.292 -4.326 1.00 0.00 C ATOM 151 NE ARG A 10 11.189 4.621 -4.972 1.00 0.00 N ATOM 152 CZ ARG A 10 10.335 5.127 -5.880 1.00 0.00 C ATOM 153 NH1 ARG A 10 9.275 4.431 -6.290 1.00 0.00 N ATOM 154 NH2 ARG A 10 10.544 6.345 -6.375 1.00 0.00 N ATOM 0 H ARG A 10 11.693 2.015 -0.181 1.00 0.00 H new ATOM 0 HA ARG A 10 9.137 2.950 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.393 1.513 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.828 1.344 -2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.599 3.874 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.225 3.980 -2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.138 2.863 -4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.521 2.621 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 10 11.964 5.225 -4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.101 3.499 -5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.638 4.831 -6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.349 6.890 -6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.899 6.733 -7.064 1.00 0.00 H new ATOM 168 N LEU A 11 9.187 -0.283 -0.202 1.00 0.00 N ATOM 169 CA LEU A 11 8.329 -1.451 -0.008 1.00 0.00 C ATOM 170 C LEU A 11 7.369 -1.196 1.140 1.00 0.00 C ATOM 171 O LEU A 11 6.334 -1.847 1.251 1.00 0.00 O ATOM 172 CB LEU A 11 9.165 -2.726 0.246 1.00 0.00 C ATOM 173 CG LEU A 11 9.312 -3.659 -0.974 1.00 0.00 C ATOM 174 CD1 LEU A 11 7.971 -4.285 -1.379 1.00 0.00 C ATOM 175 CD2 LEU A 11 9.955 -2.962 -2.179 1.00 0.00 C ATOM 0 H LEU A 11 10.150 -0.431 0.102 1.00 0.00 H new ATOM 0 HA LEU A 11 7.756 -1.615 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.159 -2.430 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.707 -3.287 1.061 1.00 0.00 H new ATOM 0 HG LEU A 11 9.985 -4.456 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.119 -4.935 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.576 -4.869 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.264 -3.496 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.033 -3.666 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.340 -2.114 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.950 -2.610 -1.907 1.00 0.00 H new ATOM 187 N LYS A 12 7.729 -0.317 2.071 1.00 0.00 N ATOM 188 CA LYS A 12 6.858 0.027 3.184 1.00 0.00 C ATOM 189 C LYS A 12 5.891 1.117 2.735 1.00 0.00 C ATOM 190 O LYS A 12 4.717 1.021 3.061 1.00 0.00 O ATOM 191 CB LYS A 12 7.685 0.365 4.429 1.00 0.00 C ATOM 192 CG LYS A 12 7.767 -0.836 5.395 1.00 0.00 C ATOM 193 CD LYS A 12 8.445 -2.100 4.819 1.00 0.00 C ATOM 194 CE LYS A 12 7.553 -3.356 4.745 1.00 0.00 C ATOM 195 NZ LYS A 12 6.367 -3.214 3.864 1.00 0.00 N ATOM 0 H LYS A 12 8.625 0.171 2.074 1.00 0.00 H new ATOM 0 HA LYS A 12 6.245 -0.823 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.690 0.662 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.240 1.217 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.310 -0.527 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.757 -1.097 5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.806 -1.872 3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.319 -2.332 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.154 -4.194 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.216 -3.607 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.908 -4.140 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.695 -2.545 4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.666 -2.858 2.934 1.00 0.00 H new ATOM 209 N LEU A 13 6.358 2.094 1.959 1.00 0.00 N ATOM 210 CA LEU A 13 5.541 3.191 1.457 1.00 0.00 C ATOM 211 C LEU A 13 4.491 2.655 0.490 1.00 0.00 C ATOM 212 O LEU A 13 3.311 2.928 0.667 1.00 0.00 O ATOM 213 CB LEU A 13 6.437 4.246 0.784 1.00 0.00 C ATOM 214 CG LEU A 13 5.652 5.417 0.152 1.00 0.00 C ATOM 215 CD1 LEU A 13 4.830 6.197 1.184 1.00 0.00 C ATOM 216 CD2 LEU A 13 6.644 6.367 -0.529 1.00 0.00 C ATOM 0 H LEU A 13 7.331 2.144 1.658 1.00 0.00 H new ATOM 0 HA LEU A 13 5.022 3.670 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.133 4.644 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.035 3.762 0.011 1.00 0.00 H new ATOM 0 HG LEU A 13 4.952 4.998 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.298 7.009 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.111 5.528 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.495 6.610 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.101 7.198 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.347 6.751 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.190 5.829 -1.303 1.00 0.00 H new ATOM 228 N LEU A 14 4.914 1.883 -0.516 1.00 0.00 N ATOM 229 CA LEU A 14 4.018 1.311 -1.514 1.00 0.00 C ATOM 230 C LEU A 14 2.967 0.434 -0.853 1.00 0.00 C ATOM 231 O LEU A 14 1.800 0.521 -1.219 1.00 0.00 O ATOM 232 CB LEU A 14 4.833 0.533 -2.564 1.00 0.00 C ATOM 233 CG LEU A 14 3.982 -0.080 -3.703 1.00 0.00 C ATOM 234 CD1 LEU A 14 4.814 -0.116 -4.992 1.00 0.00 C ATOM 235 CD2 LEU A 14 3.522 -1.516 -3.403 1.00 0.00 C ATOM 0 H LEU A 14 5.894 1.639 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 14 3.490 2.116 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.575 1.202 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.380 -0.266 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 14 3.096 0.547 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.219 -0.547 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.110 0.898 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.705 -0.724 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.930 -1.890 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.394 -2.155 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.916 -1.522 -2.497 1.00 0.00 H new ATOM 247 N LEU A 15 3.366 -0.413 0.105 1.00 0.00 N ATOM 248 CA LEU A 15 2.385 -1.283 0.754 1.00 0.00 C ATOM 249 C LEU A 15 1.443 -0.485 1.653 1.00 0.00 C ATOM 250 O LEU A 15 0.281 -0.861 1.759 1.00 0.00 O ATOM 251 CB LEU A 15 3.039 -2.476 1.467 1.00 0.00 C ATOM 252 CG LEU A 15 3.569 -3.543 0.479 1.00 0.00 C ATOM 253 CD1 LEU A 15 4.342 -4.629 1.238 1.00 0.00 C ATOM 254 CD2 LEU A 15 2.453 -4.225 -0.325 1.00 0.00 C ATOM 0 H LEU A 15 4.326 -0.512 0.437 1.00 0.00 H new ATOM 0 HA LEU A 15 1.768 -1.721 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.862 -2.118 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.313 -2.936 2.138 1.00 0.00 H new ATOM 0 HG LEU A 15 4.217 -3.013 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.710 -5.374 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.185 -4.177 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.681 -5.108 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.889 -4.962 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.763 -4.721 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.913 -3.477 -0.905 1.00 0.00 H new ATOM 266 N LEU A 16 1.904 0.597 2.290 1.00 0.00 N ATOM 267 CA LEU A 16 1.040 1.419 3.136 1.00 0.00 C ATOM 268 C LEU A 16 0.011 2.113 2.241 1.00 0.00 C ATOM 269 O LEU A 16 -1.165 2.161 2.581 1.00 0.00 O ATOM 270 CB LEU A 16 1.873 2.438 3.931 1.00 0.00 C ATOM 271 CG LEU A 16 1.025 3.405 4.785 1.00 0.00 C ATOM 272 CD1 LEU A 16 0.182 2.673 5.838 1.00 0.00 C ATOM 273 CD2 LEU A 16 1.961 4.393 5.491 1.00 0.00 C ATOM 0 H LEU A 16 2.869 0.921 2.234 1.00 0.00 H new ATOM 0 HA LEU A 16 0.522 0.795 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.562 1.901 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.480 3.019 3.236 1.00 0.00 H new ATOM 0 HG LEU A 16 0.337 3.922 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.395 3.399 6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.497 1.979 5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.839 2.120 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.373 5.082 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.652 3.845 6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.524 4.956 4.747 1.00 0.00 H new ATOM 285 N LEU A 17 0.446 2.632 1.090 1.00 0.00 N ATOM 286 CA LEU A 17 -0.409 3.303 0.126 1.00 0.00 C ATOM 287 C LEU A 17 -1.442 2.310 -0.402 1.00 0.00 C ATOM 288 O LEU A 17 -2.623 2.639 -0.463 1.00 0.00 O ATOM 289 CB LEU A 17 0.473 3.931 -0.971 1.00 0.00 C ATOM 290 CG LEU A 17 -0.232 4.715 -2.098 1.00 0.00 C ATOM 291 CD1 LEU A 17 -0.784 3.810 -3.205 1.00 0.00 C ATOM 292 CD2 LEU A 17 -1.310 5.677 -1.585 1.00 0.00 C ATOM 0 H LEU A 17 1.424 2.593 0.803 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.970 4.119 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.182 4.603 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.055 3.132 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 17 0.554 5.326 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.268 4.421 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.033 3.247 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.511 3.117 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.766 6.196 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.074 5.114 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.857 6.406 -0.912 1.00 0.00 H new ATOM 304 N LEU A 18 -1.023 1.092 -0.763 1.00 0.00 N ATOM 305 CA LEU A 18 -1.913 0.060 -1.253 1.00 0.00 C ATOM 306 C LEU A 18 -2.947 -0.246 -0.167 1.00 0.00 C ATOM 307 O LEU A 18 -4.129 -0.364 -0.476 1.00 0.00 O ATOM 308 CB LEU A 18 -1.072 -1.165 -1.646 1.00 0.00 C ATOM 309 CG LEU A 18 -1.922 -2.397 -1.978 1.00 0.00 C ATOM 310 CD1 LEU A 18 -2.844 -2.177 -3.184 1.00 0.00 C ATOM 311 CD2 LEU A 18 -1.008 -3.597 -2.246 1.00 0.00 C ATOM 0 H LEU A 18 -0.046 0.803 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.458 0.379 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.455 -0.913 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.393 -1.409 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.560 -2.587 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.421 -3.083 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.524 -1.351 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.244 -1.941 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.615 -4.471 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.351 -3.374 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.406 -3.801 -1.360 1.00 0.00 H new ATOM 323 N LEU A 19 -2.516 -0.358 1.095 1.00 0.00 N ATOM 324 CA LEU A 19 -3.406 -0.623 2.217 1.00 0.00 C ATOM 325 C LEU A 19 -4.413 0.518 2.371 1.00 0.00 C ATOM 326 O LEU A 19 -5.572 0.247 2.664 1.00 0.00 O ATOM 327 CB LEU A 19 -2.612 -0.881 3.493 1.00 0.00 C ATOM 328 CG LEU A 19 -3.468 -1.109 4.756 1.00 0.00 C ATOM 329 CD1 LEU A 19 -4.363 -2.350 4.639 1.00 0.00 C ATOM 330 CD2 LEU A 19 -2.536 -1.273 5.964 1.00 0.00 C ATOM 0 H LEU A 19 -1.536 -0.266 1.361 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.973 -1.532 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.978 -1.754 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.950 -0.033 3.669 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.120 -0.244 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.945 -2.466 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.038 -2.233 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.742 -3.233 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.131 -1.435 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.880 -2.129 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.934 -0.372 6.084 1.00 0.00 H new ATOM 342 N LEU A 20 -4.006 1.778 2.168 1.00 0.00 N ATOM 343 CA LEU A 20 -4.919 2.913 2.276 1.00 0.00 C ATOM 344 C LEU A 20 -5.989 2.802 1.187 1.00 0.00 C ATOM 345 O LEU A 20 -7.166 3.016 1.466 1.00 0.00 O ATOM 346 CB LEU A 20 -4.144 4.239 2.191 1.00 0.00 C ATOM 347 CG LEU A 20 -5.047 5.489 2.250 1.00 0.00 C ATOM 348 CD1 LEU A 20 -5.843 5.581 3.559 1.00 0.00 C ATOM 349 CD2 LEU A 20 -4.176 6.742 2.103 1.00 0.00 C ATOM 0 H LEU A 20 -3.048 2.033 1.928 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.415 2.899 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.424 4.282 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.573 4.257 1.263 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.767 5.413 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.461 6.479 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.481 4.703 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.153 5.627 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.807 7.630 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.448 6.776 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.653 6.712 1.147 1.00 0.00 H new ATOM 361 N ILE A 21 -5.596 2.467 -0.047 1.00 0.00 N ATOM 362 CA ILE A 21 -6.542 2.312 -1.149 1.00 0.00 C ATOM 363 C ILE A 21 -7.492 1.160 -0.795 1.00 0.00 C ATOM 364 O ILE A 21 -8.701 1.312 -0.945 1.00 0.00 O ATOM 365 CB ILE A 21 -5.805 2.118 -2.499 1.00 0.00 C ATOM 366 CG1 ILE A 21 -5.069 3.428 -2.871 1.00 0.00 C ATOM 367 CG2 ILE A 21 -6.783 1.720 -3.624 1.00 0.00 C ATOM 368 CD1 ILE A 21 -4.234 3.345 -4.154 1.00 0.00 C ATOM 0 H ILE A 21 -4.624 2.298 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.135 3.217 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.085 1.307 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.805 4.224 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.416 3.710 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.233 1.592 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.277 0.784 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.532 2.502 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.754 4.306 -4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.472 2.574 -4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.882 3.096 -4.994 1.00 0.00 H new ATOM 380 N LEU A 22 -6.970 0.030 -0.304 1.00 0.00 N ATOM 381 CA LEU A 22 -7.769 -1.131 0.079 1.00 0.00 C ATOM 382 C LEU A 22 -8.806 -0.739 1.125 1.00 0.00 C ATOM 383 O LEU A 22 -9.973 -1.091 0.993 1.00 0.00 O ATOM 384 CB LEU A 22 -6.858 -2.242 0.619 1.00 0.00 C ATOM 385 CG LEU A 22 -7.606 -3.540 0.987 1.00 0.00 C ATOM 386 CD1 LEU A 22 -8.354 -4.155 -0.204 1.00 0.00 C ATOM 387 CD2 LEU A 22 -6.597 -4.560 1.529 1.00 0.00 C ATOM 0 H LEU A 22 -5.969 -0.102 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.292 -1.504 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.099 -2.471 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.335 -1.873 1.501 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.352 -3.285 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.861 -5.065 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.089 -3.443 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.644 -4.394 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.117 -5.481 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.848 -4.771 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.109 -4.153 2.415 1.00 0.00 H new ATOM 399 N LEU A 23 -8.374 0.000 2.147 1.00 0.00 N ATOM 400 CA LEU A 23 -9.210 0.485 3.237 1.00 0.00 C ATOM 401 C LEU A 23 -10.376 1.301 2.683 1.00 0.00 C ATOM 402 O LEU A 23 -11.505 1.132 3.133 1.00 0.00 O ATOM 403 CB LEU A 23 -8.336 1.267 4.233 1.00 0.00 C ATOM 404 CG LEU A 23 -9.089 1.698 5.505 1.00 0.00 C ATOM 405 CD1 LEU A 23 -8.120 1.739 6.694 1.00 0.00 C ATOM 406 CD2 LEU A 23 -9.739 3.085 5.379 1.00 0.00 C ATOM 0 H LEU A 23 -7.399 0.285 2.239 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.654 -0.348 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.483 0.651 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.939 2.153 3.738 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.879 0.963 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.658 2.045 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.691 0.749 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.322 2.453 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.254 3.331 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.969 3.831 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.456 3.078 4.558 1.00 0.00 H new ATOM 418 N LEU A 24 -10.119 2.180 1.712 1.00 0.00 N ATOM 419 CA LEU A 24 -11.148 3.002 1.088 1.00 0.00 C ATOM 420 C LEU A 24 -12.101 2.104 0.293 1.00 0.00 C ATOM 421 O LEU A 24 -13.320 2.227 0.412 1.00 0.00 O ATOM 422 CB LEU A 24 -10.487 4.063 0.185 1.00 0.00 C ATOM 423 CG LEU A 24 -10.430 5.485 0.774 1.00 0.00 C ATOM 424 CD1 LEU A 24 -11.826 6.100 0.944 1.00 0.00 C ATOM 425 CD2 LEU A 24 -9.662 5.545 2.100 1.00 0.00 C ATOM 0 H LEU A 24 -9.184 2.340 1.337 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.726 3.523 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.471 3.741 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.029 4.100 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.881 6.080 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.734 7.102 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.320 6.156 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.418 5.479 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.653 6.570 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.148 4.900 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.638 5.207 1.943 1.00 0.00 H new ATOM 437 N ILE A 25 -11.550 1.191 -0.512 1.00 0.00 N ATOM 438 CA ILE A 25 -12.295 0.241 -1.336 1.00 0.00 C ATOM 439 C ILE A 25 -13.156 -0.679 -0.465 1.00 0.00 C ATOM 440 O ILE A 25 -14.158 -1.202 -0.951 1.00 0.00 O ATOM 441 CB ILE A 25 -11.328 -0.479 -2.311 1.00 0.00 C ATOM 442 CG1 ILE A 25 -10.760 0.490 -3.379 1.00 0.00 C ATOM 443 CG2 ILE A 25 -11.927 -1.716 -3.003 1.00 0.00 C ATOM 444 CD1 ILE A 25 -11.768 1.026 -4.407 1.00 0.00 C ATOM 0 H ILE A 25 -10.540 1.091 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.013 0.763 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.519 -0.836 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.308 1.339 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.961 -0.021 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.183 -2.158 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.221 -2.447 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.801 -1.421 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.259 1.693 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.205 0.192 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.557 1.574 -3.892 1.00 0.00 H new ATOM 456 N LEU A 26 -12.818 -0.865 0.815 1.00 0.00 N ATOM 457 CA LEU A 26 -13.590 -1.686 1.741 1.00 0.00 C ATOM 458 C LEU A 26 -15.029 -1.145 1.811 1.00 0.00 C ATOM 459 O LEU A 26 -15.938 -1.893 2.157 1.00 0.00 O ATOM 460 CB LEU A 26 -12.902 -1.696 3.123 1.00 0.00 C ATOM 461 CG LEU A 26 -12.983 -2.998 3.946 1.00 0.00 C ATOM 462 CD1 LEU A 26 -14.400 -3.434 4.324 1.00 0.00 C ATOM 463 CD2 LEU A 26 -12.252 -4.158 3.256 1.00 0.00 C ATOM 0 H LEU A 26 -11.991 -0.443 1.238 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.635 -2.718 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.849 -1.455 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.333 -0.893 3.720 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.479 -2.749 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.355 -4.358 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.873 -2.655 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.983 -3.600 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.334 -5.056 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.702 -4.343 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.201 -3.901 3.128 1.00 0.00 H new ATOM 475 N GLY A 27 -15.247 0.140 1.489 1.00 0.00 N ATOM 476 CA GLY A 27 -16.568 0.749 1.492 1.00 0.00 C ATOM 477 C GLY A 27 -17.383 0.146 0.352 1.00 0.00 C ATOM 478 O GLY A 27 -18.499 -0.319 0.566 1.00 0.00 O ATOM 0 H GLY A 27 -14.501 0.781 1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -17.064 0.573 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -16.487 1.829 1.370 1.00 0.00 H new ATOM 482 N ALA A 28 -16.815 0.142 -0.858 1.00 0.00 N ATOM 483 CA ALA A 28 -17.456 -0.417 -2.041 1.00 0.00 C ATOM 484 C ALA A 28 -17.710 -1.910 -1.824 1.00 0.00 C ATOM 485 O ALA A 28 -18.787 -2.420 -2.128 1.00 0.00 O ATOM 486 CB ALA A 28 -16.562 -0.191 -3.266 1.00 0.00 C ATOM 0 H ALA A 28 -15.890 0.531 -1.040 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.411 0.079 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.043 -0.610 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.406 0.878 -3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.601 -0.680 -3.110 1.00 0.00 H new ATOM 492 N LEU A 29 -16.739 -2.617 -1.231 1.00 0.00 N ATOM 493 CA LEU A 29 -16.841 -4.051 -0.963 1.00 0.00 C ATOM 494 C LEU A 29 -18.015 -4.401 -0.042 1.00 0.00 C ATOM 495 O LEU A 29 -18.460 -5.547 -0.084 1.00 0.00 O ATOM 496 CB LEU A 29 -15.519 -4.604 -0.399 1.00 0.00 C ATOM 497 CG LEU A 29 -14.376 -4.669 -1.433 1.00 0.00 C ATOM 498 CD1 LEU A 29 -13.044 -4.987 -0.738 1.00 0.00 C ATOM 499 CD2 LEU A 29 -14.623 -5.740 -2.506 1.00 0.00 C ATOM 0 H LEU A 29 -15.858 -2.205 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 29 -17.039 -4.531 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.204 -3.981 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -15.695 -5.604 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.337 -3.692 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.247 -5.030 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.819 -4.209 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.119 -5.949 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.792 -5.748 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.706 -6.718 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.547 -5.516 -3.038 1.00 0.00 H new ATOM 511 N LEU A 30 -18.503 -3.471 0.791 1.00 0.00 N ATOM 512 CA LEU A 30 -19.643 -3.710 1.684 1.00 0.00 C ATOM 513 C LEU A 30 -20.935 -3.083 1.144 1.00 0.00 C ATOM 514 O LEU A 30 -21.996 -3.315 1.720 1.00 0.00 O ATOM 515 CB LEU A 30 -19.328 -3.336 3.148 1.00 0.00 C ATOM 516 CG LEU A 30 -19.080 -1.851 3.494 1.00 0.00 C ATOM 517 CD1 LEU A 30 -20.331 -0.963 3.446 1.00 0.00 C ATOM 518 CD2 LEU A 30 -18.498 -1.763 4.913 1.00 0.00 C ATOM 0 H LEU A 30 -18.116 -2.530 0.864 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.826 -4.784 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.156 -3.686 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -18.445 -3.899 3.451 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.398 -1.479 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -20.060 0.061 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.755 -0.985 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.068 -1.333 4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.319 -0.719 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.204 -2.194 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.558 -2.314 4.956 1.00 0.00 H new ATOM 530 N LEU A 31 -20.860 -2.304 0.058 1.00 0.00 N ATOM 531 CA LEU A 31 -21.994 -1.639 -0.581 1.00 0.00 C ATOM 532 C LEU A 31 -22.444 -2.390 -1.839 1.00 0.00 C ATOM 533 O LEU A 31 -23.633 -2.402 -2.149 1.00 0.00 O ATOM 534 CB LEU A 31 -21.573 -0.199 -0.934 1.00 0.00 C ATOM 535 CG LEU A 31 -22.648 0.643 -1.652 1.00 0.00 C ATOM 536 CD1 LEU A 31 -23.929 0.785 -0.815 1.00 0.00 C ATOM 537 CD2 LEU A 31 -22.100 2.047 -1.931 1.00 0.00 C ATOM 0 H LEU A 31 -19.976 -2.115 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 31 -22.841 -1.627 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -21.286 0.314 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -20.686 -0.242 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 31 -22.895 0.125 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -24.656 1.386 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -24.347 -0.202 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -23.693 1.273 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -22.861 2.640 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -21.833 2.527 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -21.216 1.973 -2.564 1.00 0.00 H new ATOM 549 N GLY A 32 -21.520 -3.076 -2.514 1.00 0.00 N ATOM 550 CA GLY A 32 -21.763 -3.838 -3.731 1.00 0.00 C ATOM 551 C GLY A 32 -21.387 -3.068 -5.000 1.00 0.00 C ATOM 552 O GLY A 32 -21.550 -3.612 -6.093 1.00 0.00 O ATOM 0 H GLY A 32 -20.546 -3.115 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.193 -4.766 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -22.817 -4.113 -3.777 1.00 0.00 H new ATOM 556 N LEU A 33 -20.927 -1.820 -4.878 1.00 0.00 N ATOM 557 CA LEU A 33 -20.508 -0.928 -5.948 1.00 0.00 C ATOM 558 C LEU A 33 -19.528 0.048 -5.320 1.00 0.00 C ATOM 559 O LEU A 33 -19.799 0.436 -4.161 1.00 0.00 O ATOM 560 CB LEU A 33 -21.722 -0.183 -6.530 1.00 0.00 C ATOM 561 CG LEU A 33 -21.344 0.847 -7.611 1.00 0.00 C ATOM 562 CD1 LEU A 33 -20.621 0.207 -8.803 1.00 0.00 C ATOM 563 CD2 LEU A 33 -22.623 1.524 -8.121 1.00 0.00 C ATOM 0 H LEU A 33 -20.833 -1.381 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 33 -20.047 -1.476 -6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -22.415 -0.909 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -22.249 0.325 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 33 -20.665 1.568 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -20.377 0.976 -9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -19.704 -0.270 -8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -21.268 -0.540 -9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.367 2.256 -8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.288 0.772 -8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -23.124 2.026 -7.293 1.00 0.00 H new TER 575 LEU A 33