USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 39 LYS NZ :NH3+ -145:sc= 0 (180deg=-1.55!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0361 (180deg=-0.127) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 13 SER OG : rot 170:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -3.98! K(o=-4!,f=-0.31) USER MOD Single : A 18 THR OG1 : rot -91:sc= 0.935 USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= -2.7! (180deg=-3!) USER MOD Single : A 22 GLN : amide:sc= -2.57 K(o=-2.6,f=-3.2!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 27 MET CE :methyl -172:sc= -0.574 (180deg=-0.752) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0176 (180deg=-0.241) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -4.37! K(o=-4.4!,f=-0.3) USER MOD Single : A 48 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.0055) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.489 16.383 11.075 1.00 0.00 N ATOM 2 CA GLY A 1 -5.746 15.811 11.631 1.00 0.00 C ATOM 3 C GLY A 1 -5.526 14.470 12.301 1.00 0.00 C ATOM 4 O GLY A 1 -4.409 14.147 12.708 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.367 17.356 11.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.680 15.804 11.378 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.540 16.389 10.036 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.171 16.509 12.353 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.476 15.698 10.829 1.00 0.00 H new ATOM 10 N ARG A 2 -6.595 13.689 12.420 1.00 0.00 N ATOM 11 CA ARG A 2 -6.515 12.374 13.047 1.00 0.00 C ATOM 12 C ARG A 2 -7.467 11.388 12.374 1.00 0.00 C ATOM 13 O ARG A 2 -8.480 10.991 12.951 1.00 0.00 O ATOM 14 CB ARG A 2 -6.823 12.483 14.542 1.00 0.00 C ATOM 15 CG ARG A 2 -8.083 13.273 14.854 1.00 0.00 C ATOM 16 CD ARG A 2 -8.106 13.723 16.305 1.00 0.00 C ATOM 17 NE ARG A 2 -6.992 14.615 16.614 1.00 0.00 N ATOM 18 CZ ARG A 2 -6.551 14.846 17.847 1.00 0.00 C ATOM 19 NH1 ARG A 2 -7.132 14.257 18.884 1.00 0.00 N ATOM 20 NH2 ARG A 2 -5.529 15.668 18.044 1.00 0.00 N ATOM 0 H ARG A 2 -7.526 13.943 12.091 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.500 11.997 12.924 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.923 11.480 14.957 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.977 12.953 15.044 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.141 14.143 14.200 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.960 12.660 14.647 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.047 14.232 16.513 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.064 12.850 16.957 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.526 15.088 15.840 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.919 13.625 18.737 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.792 14.436 19.829 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.081 16.124 17.249 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.192 15.845 18.990 1.00 0.00 H new ATOM 34 N ARG A 3 -7.131 10.997 11.148 1.00 0.00 N ATOM 35 CA ARG A 3 -7.951 10.057 10.392 1.00 0.00 C ATOM 36 C ARG A 3 -7.078 9.036 9.665 1.00 0.00 C ATOM 37 O ARG A 3 -6.779 7.969 10.202 1.00 0.00 O ATOM 38 CB ARG A 3 -8.831 10.807 9.387 1.00 0.00 C ATOM 39 CG ARG A 3 -9.803 11.781 10.032 1.00 0.00 C ATOM 40 CD ARG A 3 -10.900 11.053 10.792 1.00 0.00 C ATOM 41 NE ARG A 3 -11.817 11.981 11.449 1.00 0.00 N ATOM 42 CZ ARG A 3 -13.116 11.748 11.603 1.00 0.00 C ATOM 43 NH1 ARG A 3 -13.653 10.625 11.144 1.00 0.00 N ATOM 44 NH2 ARG A 3 -13.883 12.639 12.216 1.00 0.00 N ATOM 0 H ARG A 3 -6.296 11.317 10.657 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.591 9.524 11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.191 11.352 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.394 10.082 8.799 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.263 12.439 10.713 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.249 12.413 9.264 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.458 10.418 10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.451 10.397 11.538 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.439 12.857 11.810 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.068 9.936 10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.651 10.450 11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.476 13.505 12.570 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.880 12.459 12.333 1.00 0.00 H new ATOM 58 N ARG A 4 -6.668 9.372 8.444 1.00 0.00 N ATOM 59 CA ARG A 4 -5.831 8.491 7.642 1.00 0.00 C ATOM 60 C ARG A 4 -4.555 9.197 7.201 1.00 0.00 C ATOM 61 O ARG A 4 -3.740 8.628 6.476 1.00 0.00 O ATOM 62 CB ARG A 4 -6.601 7.996 6.414 1.00 0.00 C ATOM 63 CG ARG A 4 -7.824 7.159 6.753 1.00 0.00 C ATOM 64 CD ARG A 4 -7.479 6.041 7.723 1.00 0.00 C ATOM 65 NE ARG A 4 -6.395 5.197 7.225 1.00 0.00 N ATOM 66 CZ ARG A 4 -6.395 3.869 7.306 1.00 0.00 C ATOM 67 NH1 ARG A 4 -7.411 3.235 7.875 1.00 0.00 N ATOM 68 NH2 ARG A 4 -5.375 3.174 6.820 1.00 0.00 N ATOM 0 H ARG A 4 -6.905 10.254 7.989 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.556 7.637 8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.914 8.856 5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.930 7.406 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.594 7.796 7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.241 6.735 5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.192 6.470 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.363 5.429 7.899 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.592 5.652 6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.196 3.765 8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.407 2.217 7.935 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.590 3.658 6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.376 2.156 6.882 1.00 0.00 H new ATOM 82 N ARG A 5 -4.386 10.439 7.641 1.00 0.00 N ATOM 83 CA ARG A 5 -3.202 11.214 7.291 1.00 0.00 C ATOM 84 C ARG A 5 -2.022 10.830 8.178 1.00 0.00 C ATOM 85 O ARG A 5 -1.152 11.652 8.466 1.00 0.00 O ATOM 86 CB ARG A 5 -3.491 12.715 7.405 1.00 0.00 C ATOM 87 CG ARG A 5 -4.143 13.119 8.718 1.00 0.00 C ATOM 88 CD ARG A 5 -3.113 13.369 9.808 1.00 0.00 C ATOM 89 NE ARG A 5 -2.089 14.323 9.387 1.00 0.00 N ATOM 90 CZ ARG A 5 -0.956 14.535 10.052 1.00 0.00 C ATOM 91 NH1 ARG A 5 -0.708 13.871 11.173 1.00 0.00 N ATOM 92 NH2 ARG A 5 -0.072 15.412 9.597 1.00 0.00 N ATOM 0 H ARG A 5 -5.052 10.929 8.239 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.940 10.988 6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.557 13.265 7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.140 13.014 6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.737 14.020 8.566 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.829 12.335 9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.614 13.745 10.700 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.639 12.426 10.082 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.252 14.857 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.386 13.196 11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.161 14.035 11.681 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.260 15.926 8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.796 15.573 10.108 1.00 0.00 H new ATOM 106 N SER A 6 -1.994 9.568 8.595 1.00 0.00 N ATOM 107 CA SER A 6 -0.922 9.069 9.448 1.00 0.00 C ATOM 108 C SER A 6 -0.390 7.736 8.934 1.00 0.00 C ATOM 109 O SER A 6 0.656 7.261 9.376 1.00 0.00 O ATOM 110 CB SER A 6 -1.404 8.924 10.893 1.00 0.00 C ATOM 111 OG SER A 6 -0.362 8.455 11.733 1.00 0.00 O ATOM 0 H SER A 6 -2.701 8.873 8.356 1.00 0.00 H new ATOM 0 HA SER A 6 -0.110 9.795 9.422 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.765 9.886 11.258 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.246 8.233 10.931 1.00 0.00 H new ATOM 0 HG SER A 6 -0.694 8.372 12.651 1.00 0.00 H new ATOM 117 N VAL A 7 -1.117 7.138 7.998 1.00 0.00 N ATOM 118 CA VAL A 7 -0.704 5.877 7.394 1.00 0.00 C ATOM 119 C VAL A 7 -1.118 5.838 5.930 1.00 0.00 C ATOM 120 O VAL A 7 -0.408 5.301 5.078 1.00 0.00 O ATOM 121 CB VAL A 7 -1.297 4.659 8.116 1.00 0.00 C ATOM 122 CG1 VAL A 7 -2.783 4.549 7.836 1.00 0.00 C ATOM 123 CG2 VAL A 7 -0.578 3.399 7.679 1.00 0.00 C ATOM 0 H VAL A 7 -1.998 7.507 7.640 1.00 0.00 H new ATOM 0 HA VAL A 7 0.381 5.824 7.483 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.161 4.785 9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.188 3.680 8.355 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.287 5.449 8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.944 4.438 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.004 2.539 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.693 3.269 6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.481 3.481 7.924 1.00 0.00 H new ATOM 133 N GLN A 8 -2.279 6.415 5.656 1.00 0.00 N ATOM 134 CA GLN A 8 -2.821 6.474 4.310 1.00 0.00 C ATOM 135 C GLN A 8 -2.651 7.879 3.760 1.00 0.00 C ATOM 136 O GLN A 8 -3.564 8.703 3.819 1.00 0.00 O ATOM 137 CB GLN A 8 -4.291 6.091 4.341 1.00 0.00 C ATOM 138 CG GLN A 8 -4.732 5.266 3.143 1.00 0.00 C ATOM 139 CD GLN A 8 -6.142 4.727 3.292 1.00 0.00 C ATOM 140 OE1 GLN A 8 -7.001 5.362 3.904 1.00 0.00 O ATOM 141 NE2 GLN A 8 -6.382 3.544 2.740 1.00 0.00 N ATOM 0 H GLN A 8 -2.870 6.855 6.361 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.289 5.776 3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.492 5.528 5.253 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.893 6.998 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.675 5.879 2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.042 4.434 3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.639 3.054 2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.309 3.125 2.814 1.00 0.00 H new ATOM 150 N TRP A 9 -1.474 8.140 3.224 1.00 0.00 N ATOM 151 CA TRP A 9 -1.144 9.455 2.706 1.00 0.00 C ATOM 152 C TRP A 9 -0.240 9.364 1.478 1.00 0.00 C ATOM 153 O TRP A 9 -0.708 9.082 0.376 1.00 0.00 O ATOM 154 CB TRP A 9 -0.481 10.261 3.826 1.00 0.00 C ATOM 155 CG TRP A 9 0.228 9.415 4.852 1.00 0.00 C ATOM 156 CD1 TRP A 9 0.222 9.624 6.189 1.00 0.00 C ATOM 157 CD2 TRP A 9 1.025 8.232 4.645 1.00 0.00 C ATOM 158 NE1 TRP A 9 0.976 8.679 6.827 1.00 0.00 N ATOM 159 CE2 TRP A 9 1.480 7.813 5.905 1.00 0.00 C ATOM 160 CE3 TRP A 9 1.404 7.491 3.530 1.00 0.00 C ATOM 161 CZ2 TRP A 9 2.290 6.697 6.078 1.00 0.00 C ATOM 162 CZ3 TRP A 9 2.196 6.384 3.701 1.00 0.00 C ATOM 163 CH2 TRP A 9 2.636 5.992 4.966 1.00 0.00 C ATOM 0 H TRP A 9 -0.725 7.453 3.135 1.00 0.00 H new ATOM 0 HA TRP A 9 -2.055 9.957 2.381 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.234 10.956 3.386 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.241 10.861 4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -0.305 10.426 6.683 1.00 0.00 H new ATOM 0 HE1 TRP A 9 1.136 8.630 7.833 1.00 0.00 H new ATOM 0 HE3 TRP A 9 1.079 7.784 2.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.632 6.400 7.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.485 5.803 2.838 1.00 0.00 H new ATOM 0 HH2 TRP A 9 3.260 5.116 5.064 1.00 0.00 H new ATOM 174 N CYS A 10 1.053 9.614 1.673 1.00 0.00 N ATOM 175 CA CYS A 10 2.026 9.526 0.594 1.00 0.00 C ATOM 176 C CYS A 10 2.376 8.059 0.355 1.00 0.00 C ATOM 177 O CYS A 10 3.524 7.712 0.079 1.00 0.00 O ATOM 178 CB CYS A 10 3.284 10.313 0.962 1.00 0.00 C ATOM 179 SG CYS A 10 4.372 10.689 -0.450 1.00 0.00 S ATOM 0 H CYS A 10 1.450 9.880 2.574 1.00 0.00 H new ATOM 0 HA CYS A 10 1.603 9.951 -0.316 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.988 11.248 1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.850 9.746 1.701 1.00 0.00 H new ATOM 184 N ALA A 11 1.360 7.206 0.468 1.00 0.00 N ATOM 185 CA ALA A 11 1.519 5.771 0.308 1.00 0.00 C ATOM 186 C ALA A 11 1.387 5.350 -1.151 1.00 0.00 C ATOM 187 O ALA A 11 0.352 4.829 -1.569 1.00 0.00 O ATOM 188 CB ALA A 11 0.494 5.053 1.176 1.00 0.00 C ATOM 0 H ALA A 11 0.404 7.496 0.673 1.00 0.00 H new ATOM 0 HA ALA A 11 2.523 5.493 0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.609 3.975 1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.648 5.323 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.510 5.346 0.870 1.00 0.00 H new ATOM 194 N VAL A 12 2.445 5.580 -1.919 1.00 0.00 N ATOM 195 CA VAL A 12 2.460 5.222 -3.332 1.00 0.00 C ATOM 196 C VAL A 12 2.708 3.726 -3.519 1.00 0.00 C ATOM 197 O VAL A 12 2.353 3.152 -4.549 1.00 0.00 O ATOM 198 CB VAL A 12 3.541 6.010 -4.099 1.00 0.00 C ATOM 199 CG1 VAL A 12 3.404 5.795 -5.599 1.00 0.00 C ATOM 200 CG2 VAL A 12 3.468 7.492 -3.755 1.00 0.00 C ATOM 0 H VAL A 12 3.306 6.014 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 12 1.480 5.478 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 12 4.518 5.637 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.177 6.360 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.515 4.735 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.422 6.136 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.238 8.032 -4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.487 7.881 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.626 7.625 -2.685 1.00 0.00 H new ATOM 210 N SER A 13 3.315 3.099 -2.514 1.00 0.00 N ATOM 211 CA SER A 13 3.611 1.672 -2.567 1.00 0.00 C ATOM 212 C SER A 13 2.545 0.866 -1.833 1.00 0.00 C ATOM 213 O SER A 13 2.273 1.100 -0.655 1.00 0.00 O ATOM 214 CB SER A 13 4.987 1.388 -1.961 1.00 0.00 C ATOM 215 OG SER A 13 5.293 0.005 -2.016 1.00 0.00 O ATOM 0 H SER A 13 3.611 3.558 -1.653 1.00 0.00 H new ATOM 0 HA SER A 13 3.614 1.369 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.748 1.954 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.009 1.728 -0.925 1.00 0.00 H new ATOM 0 HG SER A 13 6.233 -0.132 -1.775 1.00 0.00 H new ATOM 221 N GLN A 14 1.945 -0.082 -2.542 1.00 0.00 N ATOM 222 CA GLN A 14 0.902 -0.931 -1.971 1.00 0.00 C ATOM 223 C GLN A 14 1.438 -2.298 -1.528 1.00 0.00 C ATOM 224 O GLN A 14 1.055 -2.793 -0.471 1.00 0.00 O ATOM 225 CB GLN A 14 -0.241 -1.138 -2.975 1.00 0.00 C ATOM 226 CG GLN A 14 -0.059 -0.406 -4.299 1.00 0.00 C ATOM 227 CD GLN A 14 -0.419 1.065 -4.219 1.00 0.00 C ATOM 228 OE1 GLN A 14 -0.904 1.650 -5.187 1.00 0.00 O ATOM 229 NE2 GLN A 14 -0.173 1.673 -3.066 1.00 0.00 N ATOM 0 H GLN A 14 2.163 -0.284 -3.518 1.00 0.00 H new ATOM 0 HA GLN A 14 0.530 -0.411 -1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.343 -2.205 -3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.174 -0.809 -2.517 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.978 -0.503 -4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.676 -0.884 -5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.230 1.149 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.387 2.664 -2.956 1.00 0.00 H new ATOM 238 N PRO A 15 2.341 -2.927 -2.311 1.00 0.00 N ATOM 239 CA PRO A 15 2.883 -4.253 -1.987 1.00 0.00 C ATOM 240 C PRO A 15 3.803 -4.220 -0.781 1.00 0.00 C ATOM 241 O PRO A 15 4.149 -5.261 -0.222 1.00 0.00 O ATOM 242 CB PRO A 15 3.658 -4.650 -3.254 1.00 0.00 C ATOM 243 CG PRO A 15 3.223 -3.671 -4.294 1.00 0.00 C ATOM 244 CD PRO A 15 2.932 -2.411 -3.552 1.00 0.00 C ATOM 0 HA PRO A 15 2.097 -4.960 -1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.734 -4.600 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.428 -5.673 -3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.003 -3.517 -5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.340 -4.027 -4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.834 -1.829 -3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.243 -1.765 -4.096 1.00 0.00 H new ATOM 252 N GLU A 16 4.197 -3.022 -0.384 1.00 0.00 N ATOM 253 CA GLU A 16 5.068 -2.863 0.770 1.00 0.00 C ATOM 254 C GLU A 16 4.245 -2.662 2.037 1.00 0.00 C ATOM 255 O GLU A 16 4.363 -3.429 2.981 1.00 0.00 O ATOM 256 CB GLU A 16 6.029 -1.691 0.566 1.00 0.00 C ATOM 257 CG GLU A 16 7.038 -1.532 1.691 1.00 0.00 C ATOM 258 CD GLU A 16 8.141 -0.547 1.356 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.128 -0.959 0.711 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.019 0.634 1.739 1.00 0.00 O ATOM 0 H GLU A 16 3.930 -2.149 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 16 5.657 -3.773 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.563 -1.829 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.453 -0.771 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.522 -1.200 2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.480 -2.503 1.916 1.00 0.00 H new ATOM 267 N ALA A 17 3.404 -1.635 2.051 1.00 0.00 N ATOM 268 CA ALA A 17 2.565 -1.361 3.216 1.00 0.00 C ATOM 269 C ALA A 17 1.704 -2.573 3.563 1.00 0.00 C ATOM 270 O ALA A 17 1.659 -3.006 4.714 1.00 0.00 O ATOM 271 CB ALA A 17 1.694 -0.141 2.957 1.00 0.00 C ATOM 0 H ALA A 17 3.284 -0.982 1.277 1.00 0.00 H new ATOM 0 HA ALA A 17 3.213 -1.154 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.073 0.055 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.328 0.724 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.056 -0.326 2.093 1.00 0.00 H new ATOM 277 N THR A 18 1.017 -3.111 2.558 1.00 0.00 N ATOM 278 CA THR A 18 0.162 -4.276 2.748 1.00 0.00 C ATOM 279 C THR A 18 0.902 -5.435 3.355 1.00 0.00 C ATOM 280 O THR A 18 0.556 -5.884 4.426 1.00 0.00 O ATOM 281 CB THR A 18 -0.443 -4.796 1.449 1.00 0.00 C ATOM 282 OG1 THR A 18 0.590 -5.079 0.496 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.415 -3.802 0.875 1.00 0.00 C ATOM 0 H THR A 18 1.037 -2.756 1.602 1.00 0.00 H new ATOM 0 HA THR A 18 -0.623 -3.916 3.414 1.00 0.00 H new ATOM 0 HB THR A 18 -0.982 -5.717 1.671 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.756 -4.284 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.833 -4.196 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.219 -3.625 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.898 -2.864 0.670 1.00 0.00 H new ATOM 291 N LYS A 19 1.900 -5.944 2.645 1.00 0.00 N ATOM 292 CA LYS A 19 2.651 -7.075 3.137 1.00 0.00 C ATOM 293 C LYS A 19 3.315 -6.721 4.466 1.00 0.00 C ATOM 294 O LYS A 19 3.368 -7.542 5.364 1.00 0.00 O ATOM 295 CB LYS A 19 3.621 -7.552 2.059 1.00 0.00 C ATOM 296 CG LYS A 19 4.993 -7.946 2.544 1.00 0.00 C ATOM 297 CD LYS A 19 5.981 -6.932 2.046 1.00 0.00 C ATOM 298 CE LYS A 19 6.188 -5.841 3.055 1.00 0.00 C ATOM 299 NZ LYS A 19 6.556 -6.390 4.390 1.00 0.00 N ATOM 0 H LYS A 19 2.201 -5.591 1.736 1.00 0.00 H new ATOM 0 HA LYS A 19 1.992 -7.917 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.177 -8.406 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.731 -6.760 1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.012 -7.991 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.253 -8.940 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.932 -7.420 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.626 -6.503 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.973 -5.169 2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.277 -5.249 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.774 -5.607 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.761 -6.943 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.391 -7.003 4.295 1.00 0.00 H new ATOM 313 N CYS A 20 3.758 -5.478 4.633 1.00 0.00 N ATOM 314 CA CYS A 20 4.338 -5.071 5.909 1.00 0.00 C ATOM 315 C CYS A 20 3.229 -5.143 6.964 1.00 0.00 C ATOM 316 O CYS A 20 3.409 -4.760 8.120 1.00 0.00 O ATOM 317 CB CYS A 20 4.881 -3.629 5.842 1.00 0.00 C ATOM 318 SG CYS A 20 6.418 -3.398 4.879 1.00 0.00 S ATOM 0 H CYS A 20 3.728 -4.750 3.919 1.00 0.00 H new ATOM 0 HA CYS A 20 5.170 -5.730 6.157 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.108 -2.990 5.415 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.057 -3.280 6.860 1.00 0.00 H new ATOM 323 N PHE A 21 2.079 -5.652 6.519 1.00 0.00 N ATOM 324 CA PHE A 21 0.877 -5.785 7.333 1.00 0.00 C ATOM 325 C PHE A 21 0.323 -7.204 7.204 1.00 0.00 C ATOM 326 O PHE A 21 -0.209 -7.770 8.156 1.00 0.00 O ATOM 327 CB PHE A 21 -0.166 -4.779 6.824 1.00 0.00 C ATOM 328 CG PHE A 21 -1.146 -4.293 7.847 1.00 0.00 C ATOM 329 CD1 PHE A 21 -1.700 -5.153 8.782 1.00 0.00 C ATOM 330 CD2 PHE A 21 -1.515 -2.961 7.861 1.00 0.00 C ATOM 331 CE1 PHE A 21 -2.607 -4.687 9.717 1.00 0.00 C ATOM 332 CE2 PHE A 21 -2.421 -2.487 8.792 1.00 0.00 C ATOM 333 CZ PHE A 21 -2.966 -3.352 9.723 1.00 0.00 C ATOM 0 H PHE A 21 1.958 -5.989 5.564 1.00 0.00 H new ATOM 0 HA PHE A 21 1.110 -5.589 8.380 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.358 -3.917 6.410 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.720 -5.239 6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.421 -6.196 8.781 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.091 -2.282 7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.034 -5.365 10.441 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.702 -1.444 8.792 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.671 -2.985 10.454 1.00 0.00 H new ATOM 343 N GLN A 22 0.481 -7.770 6.010 1.00 0.00 N ATOM 344 CA GLN A 22 0.005 -9.107 5.704 1.00 0.00 C ATOM 345 C GLN A 22 1.100 -10.107 6.029 1.00 0.00 C ATOM 346 O GLN A 22 0.852 -11.135 6.656 1.00 0.00 O ATOM 347 CB GLN A 22 -0.407 -9.191 4.232 1.00 0.00 C ATOM 348 CG GLN A 22 -1.484 -8.187 3.846 1.00 0.00 C ATOM 349 CD GLN A 22 -1.968 -8.356 2.416 1.00 0.00 C ATOM 350 OE1 GLN A 22 -2.361 -7.387 1.766 1.00 0.00 O ATOM 351 NE2 GLN A 22 -1.952 -9.588 1.919 1.00 0.00 N ATOM 0 H GLN A 22 0.945 -7.308 5.228 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.872 -9.340 6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.471 -9.028 3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.767 -10.198 4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.330 -8.291 4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.095 -7.177 3.975 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.619 -10.364 2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.273 -9.758 0.966 1.00 0.00 H new ATOM 360 N TRP A 23 2.316 -9.797 5.578 1.00 0.00 N ATOM 361 CA TRP A 23 3.479 -10.620 5.883 1.00 0.00 C ATOM 362 C TRP A 23 3.509 -10.838 7.386 1.00 0.00 C ATOM 363 O TRP A 23 3.995 -11.854 7.876 1.00 0.00 O ATOM 364 CB TRP A 23 4.770 -9.918 5.405 1.00 0.00 C ATOM 365 CG TRP A 23 5.986 -10.196 6.225 1.00 0.00 C ATOM 366 CD1 TRP A 23 7.020 -11.009 5.903 1.00 0.00 C ATOM 367 CD2 TRP A 23 6.299 -9.628 7.485 1.00 0.00 C ATOM 368 NE1 TRP A 23 7.952 -11.013 6.914 1.00 0.00 N ATOM 369 CE2 TRP A 23 7.527 -10.165 7.900 1.00 0.00 C ATOM 370 CE3 TRP A 23 5.645 -8.726 8.304 1.00 0.00 C ATOM 371 CZ2 TRP A 23 8.110 -9.819 9.114 1.00 0.00 C ATOM 372 CZ3 TRP A 23 6.216 -8.384 9.497 1.00 0.00 C ATOM 373 CH2 TRP A 23 7.439 -8.927 9.900 1.00 0.00 C ATOM 0 H TRP A 23 2.518 -8.981 5.000 1.00 0.00 H new ATOM 0 HA TRP A 23 3.417 -11.578 5.368 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.969 -10.219 4.376 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.597 -8.842 5.394 1.00 0.00 H new ATOM 0 HD1 TRP A 23 7.101 -11.573 4.985 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.815 -11.557 6.927 1.00 0.00 H new ATOM 0 HE3 TRP A 23 4.699 -8.299 8.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.056 -10.239 9.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.712 -7.680 10.142 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.861 -8.636 10.851 1.00 0.00 H new ATOM 384 N GLN A 24 2.981 -9.845 8.106 1.00 0.00 N ATOM 385 CA GLN A 24 2.908 -9.886 9.556 1.00 0.00 C ATOM 386 C GLN A 24 1.875 -10.911 10.000 1.00 0.00 C ATOM 387 O GLN A 24 2.106 -11.686 10.929 1.00 0.00 O ATOM 388 CB GLN A 24 2.558 -8.500 10.105 1.00 0.00 C ATOM 389 CG GLN A 24 3.238 -8.171 11.425 1.00 0.00 C ATOM 390 CD GLN A 24 3.141 -6.699 11.778 1.00 0.00 C ATOM 391 OE1 GLN A 24 2.169 -6.029 11.432 1.00 0.00 O ATOM 392 NE2 GLN A 24 4.153 -6.188 12.470 1.00 0.00 N ATOM 0 H GLN A 24 2.595 -8.995 7.695 1.00 0.00 H new ATOM 0 HA GLN A 24 3.880 -10.181 9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.835 -7.747 9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.478 -8.434 10.237 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.785 -8.763 12.221 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.288 -8.460 11.371 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.939 -6.780 12.736 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.144 -5.203 12.735 1.00 0.00 H new ATOM 401 N ARG A 25 0.730 -10.902 9.326 1.00 0.00 N ATOM 402 CA ARG A 25 -0.343 -11.842 9.616 1.00 0.00 C ATOM 403 C ARG A 25 0.105 -13.245 9.252 1.00 0.00 C ATOM 404 O ARG A 25 -0.397 -14.235 9.786 1.00 0.00 O ATOM 405 CB ARG A 25 -1.598 -11.457 8.830 1.00 0.00 C ATOM 406 CG ARG A 25 -2.617 -10.678 9.645 1.00 0.00 C ATOM 407 CD ARG A 25 -2.121 -9.278 9.962 1.00 0.00 C ATOM 408 NE ARG A 25 -3.154 -8.456 10.584 1.00 0.00 N ATOM 409 CZ ARG A 25 -4.099 -7.820 9.899 1.00 0.00 C ATOM 410 NH1 ARG A 25 -4.136 -7.908 8.577 1.00 0.00 N ATOM 411 NH2 ARG A 25 -5.007 -7.093 10.535 1.00 0.00 N ATOM 0 H ARG A 25 0.522 -10.249 8.571 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.580 -11.811 10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.305 -10.861 7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.068 -12.363 8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.556 -10.617 9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.826 -11.210 10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.260 -9.341 10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.781 -8.798 9.044 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.151 -8.365 11.600 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.438 -8.465 8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.862 -7.419 8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.981 -7.021 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.731 -6.606 10.007 1.00 0.00 H new ATOM 425 N ASN A 26 1.056 -13.311 8.334 1.00 0.00 N ATOM 426 CA ASN A 26 1.619 -14.575 7.903 1.00 0.00 C ATOM 427 C ASN A 26 2.780 -14.927 8.815 1.00 0.00 C ATOM 428 O ASN A 26 3.086 -16.093 9.044 1.00 0.00 O ATOM 429 CB ASN A 26 2.093 -14.477 6.452 1.00 0.00 C ATOM 430 CG ASN A 26 0.953 -14.209 5.488 1.00 0.00 C ATOM 431 OD1 ASN A 26 -0.168 -14.676 5.688 1.00 0.00 O ATOM 432 ND2 ASN A 26 1.234 -13.447 4.437 1.00 0.00 N ATOM 0 H ASN A 26 1.455 -12.495 7.871 1.00 0.00 H new ATOM 0 HA ASN A 26 0.859 -15.355 7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.832 -13.680 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.591 -15.405 6.172 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.506 -13.228 3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.178 -13.081 4.310 1.00 0.00 H new ATOM 439 N MET A 27 3.392 -13.885 9.361 1.00 0.00 N ATOM 440 CA MET A 27 4.523 -14.018 10.270 1.00 0.00 C ATOM 441 C MET A 27 4.119 -14.795 11.515 1.00 0.00 C ATOM 442 O MET A 27 4.950 -15.120 12.364 1.00 0.00 O ATOM 443 CB MET A 27 5.003 -12.627 10.673 1.00 0.00 C ATOM 444 CG MET A 27 6.511 -12.471 10.680 1.00 0.00 C ATOM 445 SD MET A 27 7.204 -12.480 12.344 1.00 0.00 S ATOM 446 CE MET A 27 6.497 -10.976 13.014 1.00 0.00 C ATOM 0 H MET A 27 3.117 -12.919 9.185 1.00 0.00 H new ATOM 0 HA MET A 27 5.323 -14.560 9.766 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.576 -11.894 9.988 1.00 0.00 H new ATOM 0 HB3 MET A 27 4.620 -12.396 11.667 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.958 -13.278 10.100 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.778 -11.537 10.185 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.942 -10.766 13.987 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.698 -10.146 12.336 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.420 -11.099 13.127 1.00 0.00 H new ATOM 456 N ARG A 28 2.832 -15.085 11.606 1.00 0.00 N ATOM 457 CA ARG A 28 2.278 -15.806 12.741 1.00 0.00 C ATOM 458 C ARG A 28 2.379 -17.313 12.542 1.00 0.00 C ATOM 459 O ARG A 28 2.393 -18.075 13.509 1.00 0.00 O ATOM 460 CB ARG A 28 0.819 -15.391 12.948 1.00 0.00 C ATOM 461 CG ARG A 28 0.634 -13.909 13.236 1.00 0.00 C ATOM 462 CD ARG A 28 1.365 -13.480 14.500 1.00 0.00 C ATOM 463 NE ARG A 28 2.808 -13.374 14.292 1.00 0.00 N ATOM 464 CZ ARG A 28 3.668 -13.038 15.248 1.00 0.00 C ATOM 465 NH1 ARG A 28 3.235 -12.772 16.473 1.00 0.00 N ATOM 466 NH2 ARG A 28 4.966 -12.967 14.979 1.00 0.00 N ATOM 0 H ARG A 28 2.144 -14.829 10.898 1.00 0.00 H new ATOM 0 HA ARG A 28 2.857 -15.552 13.629 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.248 -15.652 12.057 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.402 -15.966 13.774 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.999 -13.327 12.390 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.429 -13.689 13.339 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.976 -12.518 14.835 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.166 -14.199 15.295 1.00 0.00 H new ATOM 0 HE ARG A 28 3.176 -13.569 13.361 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.239 -12.825 16.684 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.898 -12.515 17.204 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.304 -13.170 14.038 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.626 -12.709 15.713 1.00 0.00 H new ATOM 480 N LYS A 29 2.452 -17.738 11.286 1.00 0.00 N ATOM 481 CA LYS A 29 2.551 -19.162 10.974 1.00 0.00 C ATOM 482 C LYS A 29 3.837 -19.501 10.216 1.00 0.00 C ATOM 483 O LYS A 29 4.213 -20.671 10.130 1.00 0.00 O ATOM 484 CB LYS A 29 1.337 -19.617 10.159 1.00 0.00 C ATOM 485 CG LYS A 29 1.122 -18.824 8.880 1.00 0.00 C ATOM 486 CD LYS A 29 0.248 -17.602 9.117 1.00 0.00 C ATOM 487 CE LYS A 29 -1.201 -17.989 9.376 1.00 0.00 C ATOM 488 NZ LYS A 29 -1.845 -18.577 8.168 1.00 0.00 N ATOM 0 H LYS A 29 2.445 -17.124 10.472 1.00 0.00 H new ATOM 0 HA LYS A 29 2.575 -19.695 11.925 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.456 -20.671 9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.444 -19.537 10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.086 -18.510 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.658 -19.463 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.632 -17.039 9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.300 -16.944 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.244 -18.706 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.760 -17.109 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.878 -18.576 8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.595 -18.012 7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.513 -19.554 8.038 1.00 0.00 H new ATOM 502 N VAL A 30 4.510 -18.491 9.667 1.00 0.00 N ATOM 503 CA VAL A 30 5.743 -18.729 8.917 1.00 0.00 C ATOM 504 C VAL A 30 6.885 -17.801 9.315 1.00 0.00 C ATOM 505 O VAL A 30 7.557 -18.022 10.323 1.00 0.00 O ATOM 506 CB VAL A 30 5.527 -18.583 7.416 1.00 0.00 C ATOM 507 CG1 VAL A 30 5.104 -19.901 6.814 1.00 0.00 C ATOM 508 CG2 VAL A 30 4.492 -17.523 7.142 1.00 0.00 C ATOM 0 H VAL A 30 4.228 -17.513 9.726 1.00 0.00 H new ATOM 0 HA VAL A 30 6.021 -19.753 9.167 1.00 0.00 H new ATOM 0 HB VAL A 30 6.467 -18.281 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.954 -19.780 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.879 -20.647 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.173 -20.230 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.346 -17.427 6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.550 -17.804 7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.831 -16.570 7.549 1.00 0.00 H new ATOM 518 N ARG A 31 7.099 -16.767 8.496 1.00 0.00 N ATOM 519 CA ARG A 31 8.163 -15.800 8.725 1.00 0.00 C ATOM 520 C ARG A 31 8.232 -15.415 10.189 1.00 0.00 C ATOM 521 O ARG A 31 7.205 -15.290 10.854 1.00 0.00 O ATOM 522 CB ARG A 31 7.934 -14.552 7.875 1.00 0.00 C ATOM 523 CG ARG A 31 8.044 -14.802 6.382 1.00 0.00 C ATOM 524 CD ARG A 31 9.458 -15.194 5.978 1.00 0.00 C ATOM 525 NE ARG A 31 9.593 -15.338 4.531 1.00 0.00 N ATOM 526 CZ ARG A 31 10.203 -14.447 3.753 1.00 0.00 C ATOM 527 NH1 ARG A 31 10.727 -13.349 4.282 1.00 0.00 N ATOM 528 NH2 ARG A 31 10.288 -14.653 2.446 1.00 0.00 N ATOM 0 H ARG A 31 6.541 -16.582 7.663 1.00 0.00 H new ATOM 0 HA ARG A 31 9.109 -16.261 8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.945 -14.150 8.095 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.659 -13.790 8.161 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.351 -15.592 6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.747 -13.904 5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.159 -14.439 6.334 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.726 -16.133 6.462 1.00 0.00 H new ATOM 0 HE ARG A 31 9.197 -16.169 4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.663 -13.186 5.287 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.194 -12.668 3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.885 -15.495 2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.756 -13.969 1.851 1.00 0.00 H new ATOM 542 N GLY A 32 9.444 -15.258 10.703 1.00 0.00 N ATOM 543 CA GLY A 32 9.587 -14.888 12.087 1.00 0.00 C ATOM 544 C GLY A 32 10.438 -13.637 12.347 1.00 0.00 C ATOM 545 O GLY A 32 10.965 -13.497 13.451 1.00 0.00 O ATOM 0 H GLY A 32 10.317 -15.379 10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.594 -14.726 12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.028 -15.726 12.626 1.00 0.00 H new ATOM 549 N PRO A 33 10.609 -12.695 11.379 1.00 0.00 N ATOM 550 CA PRO A 33 11.399 -11.490 11.599 1.00 0.00 C ATOM 551 C PRO A 33 10.531 -10.292 11.993 1.00 0.00 C ATOM 552 O PRO A 33 9.316 -10.314 11.801 1.00 0.00 O ATOM 553 CB PRO A 33 12.024 -11.269 10.226 1.00 0.00 C ATOM 554 CG PRO A 33 10.995 -11.757 9.255 1.00 0.00 C ATOM 555 CD PRO A 33 10.082 -12.709 10.001 1.00 0.00 C ATOM 0 HA PRO A 33 12.116 -11.593 12.413 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.256 -10.217 10.061 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.958 -11.821 10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.427 -10.922 8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.470 -12.261 8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.044 -12.378 9.966 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.111 -13.710 9.572 1.00 0.00 H new ATOM 563 N PRO A 34 11.139 -9.233 12.563 1.00 0.00 N ATOM 564 CA PRO A 34 10.417 -8.031 12.974 1.00 0.00 C ATOM 565 C PRO A 34 10.379 -6.962 11.881 1.00 0.00 C ATOM 566 O PRO A 34 11.406 -6.373 11.544 1.00 0.00 O ATOM 567 CB PRO A 34 11.249 -7.553 14.159 1.00 0.00 C ATOM 568 CG PRO A 34 12.654 -7.944 13.821 1.00 0.00 C ATOM 569 CD PRO A 34 12.575 -9.127 12.878 1.00 0.00 C ATOM 0 HA PRO A 34 9.369 -8.227 13.200 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.160 -6.475 14.296 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.921 -8.020 15.087 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.182 -7.113 13.353 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.208 -8.207 14.722 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.170 -8.962 11.980 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.950 -10.037 13.346 1.00 0.00 H new ATOM 577 N VAL A 35 9.188 -6.713 11.333 1.00 0.00 N ATOM 578 CA VAL A 35 9.021 -5.713 10.284 1.00 0.00 C ATOM 579 C VAL A 35 7.674 -5.005 10.408 1.00 0.00 C ATOM 580 O VAL A 35 6.628 -5.643 10.515 1.00 0.00 O ATOM 581 CB VAL A 35 9.125 -6.330 8.871 1.00 0.00 C ATOM 582 CG1 VAL A 35 9.202 -5.237 7.818 1.00 0.00 C ATOM 583 CG2 VAL A 35 10.327 -7.258 8.767 1.00 0.00 C ATOM 0 H VAL A 35 8.327 -7.191 11.600 1.00 0.00 H new ATOM 0 HA VAL A 35 9.831 -4.995 10.416 1.00 0.00 H new ATOM 0 HB VAL A 35 8.227 -6.921 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.275 -5.689 6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.306 -4.619 7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.081 -4.618 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.376 -7.678 7.763 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.239 -6.697 8.971 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.228 -8.065 9.493 1.00 0.00 H new ATOM 593 N SER A 36 7.716 -3.682 10.395 1.00 0.00 N ATOM 594 CA SER A 36 6.512 -2.863 10.492 1.00 0.00 C ATOM 595 C SER A 36 6.674 -1.605 9.644 1.00 0.00 C ATOM 596 O SER A 36 7.091 -0.557 10.138 1.00 0.00 O ATOM 597 CB SER A 36 6.232 -2.494 11.949 1.00 0.00 C ATOM 598 OG SER A 36 5.154 -1.579 12.047 1.00 0.00 O ATOM 0 H SER A 36 8.580 -3.145 10.317 1.00 0.00 H new ATOM 0 HA SER A 36 5.664 -3.435 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.001 -3.395 12.517 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.126 -2.057 12.395 1.00 0.00 H new ATOM 0 HG SER A 36 4.995 -1.361 12.989 1.00 0.00 H new ATOM 604 N CYS A 37 6.340 -1.724 8.363 1.00 0.00 N ATOM 605 CA CYS A 37 6.472 -0.616 7.423 1.00 0.00 C ATOM 606 C CYS A 37 5.151 -0.296 6.735 1.00 0.00 C ATOM 607 O CYS A 37 4.928 -0.689 5.590 1.00 0.00 O ATOM 608 CB CYS A 37 7.519 -0.973 6.377 1.00 0.00 C ATOM 609 SG CYS A 37 7.804 -2.767 6.227 1.00 0.00 S ATOM 0 H CYS A 37 5.974 -2.582 7.950 1.00 0.00 H new ATOM 0 HA CYS A 37 6.777 0.269 7.981 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.206 -0.580 5.410 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.459 -0.483 6.631 1.00 0.00 H new ATOM 614 N ILE A 38 4.280 0.426 7.427 1.00 0.00 N ATOM 615 CA ILE A 38 2.989 0.791 6.862 1.00 0.00 C ATOM 616 C ILE A 38 2.659 2.251 7.139 1.00 0.00 C ATOM 617 O ILE A 38 2.060 2.930 6.305 1.00 0.00 O ATOM 618 CB ILE A 38 1.853 -0.097 7.412 1.00 0.00 C ATOM 619 CG1 ILE A 38 2.374 -1.497 7.756 1.00 0.00 C ATOM 620 CG2 ILE A 38 0.714 -0.186 6.407 1.00 0.00 C ATOM 621 CD1 ILE A 38 2.771 -1.652 9.208 1.00 0.00 C ATOM 0 H ILE A 38 4.442 0.768 8.374 1.00 0.00 H new ATOM 0 HA ILE A 38 3.066 0.637 5.786 1.00 0.00 H new ATOM 0 HB ILE A 38 1.475 0.360 8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.605 -2.231 7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.235 -1.721 7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.079 -0.816 6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.321 0.812 6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.083 -0.618 5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.130 -2.667 9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.562 -0.941 9.447 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.907 -1.460 9.844 1.00 0.00 H new ATOM 633 N LYS A 39 3.061 2.732 8.310 1.00 0.00 N ATOM 634 CA LYS A 39 2.806 4.116 8.692 1.00 0.00 C ATOM 635 C LYS A 39 4.111 4.887 8.846 1.00 0.00 C ATOM 636 O LYS A 39 4.241 5.740 9.725 1.00 0.00 O ATOM 637 CB LYS A 39 1.992 4.184 9.988 1.00 0.00 C ATOM 638 CG LYS A 39 2.559 3.340 11.121 1.00 0.00 C ATOM 639 CD LYS A 39 2.037 1.912 11.068 1.00 0.00 C ATOM 640 CE LYS A 39 2.513 1.100 12.262 1.00 0.00 C ATOM 641 NZ LYS A 39 1.909 -0.261 12.281 1.00 0.00 N ATOM 0 H LYS A 39 3.564 2.186 9.010 1.00 0.00 H new ATOM 0 HA LYS A 39 2.224 4.580 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.936 5.222 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.972 3.859 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.647 3.333 11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.295 3.790 12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.947 1.922 11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.371 1.435 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.599 1.015 12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.258 1.624 13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.739 -0.551 13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.007 -0.248 11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.559 -0.935 11.829 1.00 0.00 H new ATOM 655 N ARG A 40 5.077 4.580 7.984 1.00 0.00 N ATOM 656 CA ARG A 40 6.371 5.252 8.019 1.00 0.00 C ATOM 657 C ARG A 40 6.408 6.368 6.983 1.00 0.00 C ATOM 658 O ARG A 40 5.378 6.731 6.414 1.00 0.00 O ATOM 659 CB ARG A 40 7.507 4.253 7.764 1.00 0.00 C ATOM 660 CG ARG A 40 7.136 2.809 8.065 1.00 0.00 C ATOM 661 CD ARG A 40 6.897 2.591 9.550 1.00 0.00 C ATOM 662 NE ARG A 40 8.121 2.753 10.329 1.00 0.00 N ATOM 663 CZ ARG A 40 8.140 2.915 11.649 1.00 0.00 C ATOM 664 NH1 ARG A 40 7.005 2.941 12.336 1.00 0.00 N ATOM 665 NH2 ARG A 40 9.296 3.053 12.284 1.00 0.00 N ATOM 0 H ARG A 40 4.988 3.872 7.255 1.00 0.00 H new ATOM 0 HA ARG A 40 6.510 5.684 9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.817 4.329 6.722 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.367 4.532 8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.239 2.540 7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.933 2.149 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.146 3.297 9.904 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.495 1.591 9.710 1.00 0.00 H new ATOM 0 HE ARG A 40 9.012 2.741 9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.113 2.836 11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.024 3.065 13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.171 3.035 11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.310 3.177 13.296 1.00 0.00 H new ATOM 679 N ASP A 41 7.593 6.910 6.738 1.00 0.00 N ATOM 680 CA ASP A 41 7.752 7.992 5.779 1.00 0.00 C ATOM 681 C ASP A 41 9.102 7.883 5.091 1.00 0.00 C ATOM 682 O ASP A 41 9.546 8.805 4.407 1.00 0.00 O ATOM 683 CB ASP A 41 7.608 9.342 6.479 1.00 0.00 C ATOM 684 CG ASP A 41 7.577 10.503 5.505 1.00 0.00 C ATOM 685 OD1 ASP A 41 6.506 10.750 4.910 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.623 11.165 5.334 1.00 0.00 O ATOM 0 H ASP A 41 8.459 6.617 7.191 1.00 0.00 H new ATOM 0 HA ASP A 41 6.972 7.914 5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.693 9.344 7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.437 9.477 7.174 1.00 0.00 H new ATOM 691 N SER A 42 9.751 6.742 5.291 1.00 0.00 N ATOM 692 CA SER A 42 11.049 6.481 4.699 1.00 0.00 C ATOM 693 C SER A 42 11.033 6.767 3.203 1.00 0.00 C ATOM 694 O SER A 42 9.970 6.810 2.582 1.00 0.00 O ATOM 695 CB SER A 42 11.449 5.025 4.937 1.00 0.00 C ATOM 696 OG SER A 42 11.889 4.825 6.269 1.00 0.00 O ATOM 0 H SER A 42 9.392 5.979 5.865 1.00 0.00 H new ATOM 0 HA SER A 42 11.776 7.141 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.600 4.374 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.242 4.745 4.243 1.00 0.00 H new ATOM 0 HG SER A 42 12.137 3.885 6.394 1.00 0.00 H new ATOM 702 N PRO A 43 12.218 6.964 2.604 1.00 0.00 N ATOM 703 CA PRO A 43 12.341 7.238 1.172 1.00 0.00 C ATOM 704 C PRO A 43 12.052 6.004 0.324 1.00 0.00 C ATOM 705 O PRO A 43 12.507 5.906 -0.816 1.00 0.00 O ATOM 706 CB PRO A 43 13.804 7.654 1.020 1.00 0.00 C ATOM 707 CG PRO A 43 14.508 6.968 2.138 1.00 0.00 C ATOM 708 CD PRO A 43 13.531 6.943 3.278 1.00 0.00 C ATOM 0 HA PRO A 43 11.629 7.992 0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.204 7.349 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.917 8.736 1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 43 14.804 5.958 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 43 15.418 7.501 2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.653 6.051 3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 43 13.659 7.803 3.936 1.00 0.00 H new ATOM 716 N ILE A 44 11.294 5.063 0.883 1.00 0.00 N ATOM 717 CA ILE A 44 10.957 3.836 0.171 1.00 0.00 C ATOM 718 C ILE A 44 9.458 3.753 -0.106 1.00 0.00 C ATOM 719 O ILE A 44 8.984 2.833 -0.772 1.00 0.00 O ATOM 720 CB ILE A 44 11.412 2.597 0.967 1.00 0.00 C ATOM 721 CG1 ILE A 44 12.868 2.762 1.408 1.00 0.00 C ATOM 722 CG2 ILE A 44 11.250 1.329 0.137 1.00 0.00 C ATOM 723 CD1 ILE A 44 13.824 3.072 0.273 1.00 0.00 C ATOM 0 H ILE A 44 10.904 5.128 1.823 1.00 0.00 H new ATOM 0 HA ILE A 44 11.485 3.855 -0.783 1.00 0.00 H new ATOM 0 HB ILE A 44 10.782 2.506 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.925 3.562 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.193 1.847 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.578 0.468 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.202 1.205 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.854 1.406 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.835 3.174 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.799 2.262 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.527 4.003 -0.209 1.00 0.00 H new ATOM 735 N GLN A 45 8.716 4.736 0.397 1.00 0.00 N ATOM 736 CA GLN A 45 7.269 4.776 0.210 1.00 0.00 C ATOM 737 C GLN A 45 6.835 6.080 -0.446 1.00 0.00 C ATOM 738 O GLN A 45 6.287 6.082 -1.548 1.00 0.00 O ATOM 739 CB GLN A 45 6.562 4.626 1.555 1.00 0.00 C ATOM 740 CG GLN A 45 7.035 3.427 2.361 1.00 0.00 C ATOM 741 CD GLN A 45 6.719 3.543 3.841 1.00 0.00 C ATOM 742 OE1 GLN A 45 6.334 2.563 4.479 1.00 0.00 O ATOM 743 NE2 GLN A 45 6.912 4.730 4.406 1.00 0.00 N ATOM 0 H GLN A 45 9.093 5.515 0.937 1.00 0.00 H new ATOM 0 HA GLN A 45 6.994 3.949 -0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.718 5.532 2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.489 4.538 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.569 2.524 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.111 3.312 2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.232 5.517 3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.740 4.854 5.404 1.00 0.00 H new ATOM 752 N CYS A 46 7.078 7.189 0.246 1.00 0.00 N ATOM 753 CA CYS A 46 6.709 8.504 -0.259 1.00 0.00 C ATOM 754 C CYS A 46 7.553 8.879 -1.464 1.00 0.00 C ATOM 755 O CYS A 46 8.780 8.772 -1.436 1.00 0.00 O ATOM 756 CB CYS A 46 6.868 9.551 0.832 1.00 0.00 C ATOM 757 SG CYS A 46 6.141 11.170 0.420 1.00 0.00 S ATOM 0 H CYS A 46 7.530 7.201 1.160 1.00 0.00 H new ATOM 0 HA CYS A 46 5.664 8.467 -0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.407 9.180 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.929 9.684 1.041 1.00 0.00 H new ATOM 762 N ILE A 47 6.887 9.321 -2.522 1.00 0.00 N ATOM 763 CA ILE A 47 7.568 9.694 -3.751 1.00 0.00 C ATOM 764 C ILE A 47 6.932 10.930 -4.376 1.00 0.00 C ATOM 765 O ILE A 47 5.728 11.153 -4.246 1.00 0.00 O ATOM 766 CB ILE A 47 7.528 8.533 -4.761 1.00 0.00 C ATOM 767 CG1 ILE A 47 7.860 7.216 -4.050 1.00 0.00 C ATOM 768 CG2 ILE A 47 8.500 8.785 -5.905 1.00 0.00 C ATOM 769 CD1 ILE A 47 7.417 5.986 -4.813 1.00 0.00 C ATOM 0 H ILE A 47 5.873 9.430 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 47 8.604 9.921 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 47 6.524 8.464 -5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.936 7.163 -3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.387 7.214 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.457 7.954 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.228 9.708 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.512 8.874 -5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.685 5.092 -4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.337 6.015 -4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.910 5.964 -5.785 1.00 0.00 H new ATOM 781 N GLN A 48 7.750 11.732 -5.052 1.00 0.00 N ATOM 782 CA GLN A 48 7.269 12.949 -5.695 1.00 0.00 C ATOM 783 C GLN A 48 6.148 12.638 -6.680 1.00 0.00 C ATOM 784 O GLN A 48 6.271 11.740 -7.514 1.00 0.00 O ATOM 785 CB GLN A 48 8.416 13.659 -6.418 1.00 0.00 C ATOM 786 CG GLN A 48 7.991 14.939 -7.119 1.00 0.00 C ATOM 787 CD GLN A 48 9.140 15.628 -7.833 1.00 0.00 C ATOM 788 OE1 GLN A 48 8.944 16.284 -8.857 1.00 0.00 O ATOM 789 NE2 GLN A 48 10.345 15.488 -7.294 1.00 0.00 N ATOM 0 H GLN A 48 8.749 11.560 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 48 6.876 13.607 -4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.200 13.892 -5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.849 12.979 -7.152 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.206 14.710 -7.840 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.561 15.623 -6.387 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.463 14.936 -6.445 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.153 15.933 -7.729 1.00 0.00 H new ATOM 798 N ALA A 49 5.055 13.387 -6.579 1.00 0.00 N ATOM 799 CA ALA A 49 3.911 13.193 -7.459 1.00 0.00 C ATOM 800 C ALA A 49 4.166 13.803 -8.833 1.00 0.00 C ATOM 801 O ALA A 49 4.650 13.071 -9.723 1.00 0.00 O ATOM 802 CB ALA A 49 2.660 13.795 -6.837 1.00 0.00 C ATOM 803 OXT ALA A 49 3.882 15.006 -9.009 1.00 0.00 O ATOM 0 H ALA A 49 4.938 14.135 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 49 3.760 12.121 -7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.812 13.643 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.460 13.311 -5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.810 14.863 -6.679 1.00 0.00 H new TER 809 ALA A 49