USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 770 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 1 MET CE :methyl -123:sc= -2.65! (180deg=-2.39) USER MOD Set 1.2: B 27 LYS NZ :NH3+ -129:sc= -0.71 (180deg=-1.72!) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -131:sc= -0.632 (180deg=-1.75!) USER MOD Set 2.2: B 1 MET CE :methyl -124:sc= -2.8! (180deg=-2.46) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.00146 (180deg=-0.193) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.639 F(o=-2.7!,f=-0.64) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 101:sc= 0.261 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0324 USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= -0.0247 (180deg=-0.202) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0811 F(o=-0.92,f=-0.081) USER MOD Single : A 29 LYS NZ :NH3+ -126:sc= -3.12! (180deg=-7.22!) USER MOD Single : A 31 GLN :FLIP amide:sc= -4.31! C(o=-6.7!,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.0589 (180deg=-0.325) USER MOD Single : A 40 GLN :FLIP amide:sc= -6.22! C(o=-14!,f=-6.2!) USER MOD Single : A 41 GLN : amide:sc= -3.52! C(o=-3.5!,f=-7.5!) USER MOD Single : B 1 MET N :NH3+ 170:sc= -0.0055 (180deg=-0.225) USER MOD Single : B 2 GLN :FLIP amide:sc= -0.0844 F(o=-1.3!,f=-0.084) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 97:sc= 1.25 USER MOD Single : B 9 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : B 11 LYS NZ :NH3+ -167:sc= -0.0309 (180deg=-0.226) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.281 USER MOD Single : B 25 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.8!) USER MOD Single : B 29 LYS NZ :NH3+ -126:sc= -2.76! (180deg=-6.58!) USER MOD Single : B 31 GLN :FLIP amide:sc= -4.16! C(o=-6.6!,f=-4.2!) USER MOD Single : B 33 LYS NZ :NH3+ 165:sc= -0.0363 (180deg=-0.326) USER MOD Single : B 40 GLN :FLIP amide:sc= -5.71! C(o=-8.1!,f=-5.7!) USER MOD Single : B 41 GLN : amide:sc= -2.58! C(o=-2.6!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 1 1.781 -4.632 -11.153 1.00 0.00 N ATOM 22 CA MET A 1 1.399 -3.257 -10.863 1.00 0.00 C ATOM 23 C MET A 1 2.473 -2.555 -10.042 1.00 0.00 C ATOM 24 O MET A 1 2.756 -2.942 -8.908 1.00 0.00 O ATOM 25 CB MET A 1 0.063 -3.225 -10.116 1.00 0.00 C ATOM 26 CG MET A 1 0.029 -4.131 -8.894 1.00 0.00 C ATOM 27 SD MET A 1 -1.511 -3.997 -7.968 1.00 0.00 S ATOM 28 CE MET A 1 -1.412 -2.304 -7.395 1.00 0.00 C ATOM 0 H1 MET A 1 0.975 -5.134 -11.578 1.00 0.00 H new ATOM 0 H2 MET A 1 2.581 -4.637 -11.817 1.00 0.00 H new ATOM 0 H3 MET A 1 2.059 -5.108 -10.271 1.00 0.00 H new ATOM 0 HA MET A 1 1.291 -2.728 -11.810 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.146 -2.201 -9.805 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.733 -3.520 -10.799 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.169 -5.165 -9.210 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.864 -3.882 -8.239 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.479 -2.284 -6.307 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.463 -1.869 -7.708 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.234 -1.727 -7.820 1.00 0.00 H new ATOM 38 N GLN A 2 3.069 -1.519 -10.621 1.00 0.00 N ATOM 39 CA GLN A 2 4.109 -0.765 -9.943 1.00 0.00 C ATOM 40 C GLN A 2 3.525 0.075 -8.811 1.00 0.00 C ATOM 41 O GLN A 2 2.635 0.900 -9.022 1.00 0.00 O ATOM 42 CB GLN A 2 4.852 0.117 -10.945 1.00 0.00 C ATOM 43 CG GLN A 2 3.959 1.124 -11.652 1.00 0.00 C ATOM 44 CD GLN A 2 4.679 1.894 -12.747 1.00 0.00 C ATOM 45 OE1 GLN A 2 5.948 1.566 -12.979 1.00 0.00 O flip ATOM 46 NE2 GLN A 2 4.098 2.772 -13.384 1.00 0.00 N flip ATOM 0 H GLN A 2 2.848 -1.184 -11.559 1.00 0.00 H new ATOM 0 HA GLN A 2 4.816 -1.468 -9.503 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.647 0.652 -10.425 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.330 -0.518 -11.691 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.105 0.603 -12.084 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.565 1.829 -10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.124 2.994 -13.176 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.590 3.278 -14.120 1.00 0.00 H new ATOM 55 N ILE A 3 4.035 -0.152 -7.608 1.00 0.00 N ATOM 56 CA ILE A 3 3.582 0.562 -6.423 1.00 0.00 C ATOM 57 C ILE A 3 4.323 1.881 -6.247 1.00 0.00 C ATOM 58 O ILE A 3 5.516 1.979 -6.535 1.00 0.00 O ATOM 59 CB ILE A 3 3.768 -0.290 -5.153 1.00 0.00 C ATOM 60 CG1 ILE A 3 5.243 -0.637 -4.944 1.00 0.00 C ATOM 61 CG2 ILE A 3 2.933 -1.555 -5.242 1.00 0.00 C ATOM 62 CD1 ILE A 3 5.503 -1.408 -3.668 1.00 0.00 C ATOM 0 H ILE A 3 4.772 -0.834 -7.427 1.00 0.00 H new ATOM 0 HA ILE A 3 2.521 0.767 -6.568 1.00 0.00 H new ATOM 0 HB ILE A 3 3.431 0.292 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.595 -1.224 -5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.827 0.283 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.074 -2.148 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.880 -1.290 -5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.245 -2.136 -6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.569 -1.621 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.182 -0.814 -2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.946 -2.345 -3.689 1.00 0.00 H new ATOM 74 N PHE A 4 3.611 2.890 -5.759 1.00 0.00 N ATOM 75 CA PHE A 4 4.205 4.200 -5.528 1.00 0.00 C ATOM 76 C PHE A 4 4.794 4.264 -4.125 1.00 0.00 C ATOM 77 O PHE A 4 4.166 3.825 -3.163 1.00 0.00 O ATOM 78 CB PHE A 4 3.163 5.309 -5.711 1.00 0.00 C ATOM 79 CG PHE A 4 2.648 5.440 -7.119 1.00 0.00 C ATOM 80 CD1 PHE A 4 2.101 4.351 -7.781 1.00 0.00 C ATOM 81 CD2 PHE A 4 2.706 6.658 -7.778 1.00 0.00 C ATOM 82 CE1 PHE A 4 1.625 4.475 -9.073 1.00 0.00 C ATOM 83 CE2 PHE A 4 2.232 6.788 -9.069 1.00 0.00 C ATOM 84 CZ PHE A 4 1.691 5.696 -9.717 1.00 0.00 C ATOM 0 H PHE A 4 2.622 2.826 -5.516 1.00 0.00 H new ATOM 0 HA PHE A 4 5.000 4.352 -6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.322 5.117 -5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.601 6.259 -5.406 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.046 3.395 -7.281 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.127 7.516 -7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.202 3.619 -9.578 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.285 7.743 -9.571 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.320 5.796 -10.726 1.00 0.00 H new ATOM 94 N VAL A 5 6.004 4.798 -4.012 1.00 0.00 N ATOM 95 CA VAL A 5 6.672 4.901 -2.719 1.00 0.00 C ATOM 96 C VAL A 5 7.568 6.131 -2.660 1.00 0.00 C ATOM 97 O VAL A 5 8.348 6.387 -3.574 1.00 0.00 O ATOM 98 CB VAL A 5 7.533 3.653 -2.427 1.00 0.00 C ATOM 99 CG1 VAL A 5 8.202 3.770 -1.064 1.00 0.00 C ATOM 100 CG2 VAL A 5 6.698 2.384 -2.510 1.00 0.00 C ATOM 0 H VAL A 5 6.542 5.166 -4.797 1.00 0.00 H new ATOM 0 HA VAL A 5 5.887 4.982 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 5 8.312 3.594 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.804 2.881 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.842 4.652 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.439 3.861 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.328 1.520 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.891 2.431 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.276 2.291 -3.511 1.00 0.00 H new ATOM 110 N LYS A 6 7.457 6.886 -1.573 1.00 0.00 N ATOM 111 CA LYS A 6 8.267 8.082 -1.391 1.00 0.00 C ATOM 112 C LYS A 6 9.477 7.785 -0.515 1.00 0.00 C ATOM 113 O LYS A 6 9.341 7.269 0.594 1.00 0.00 O ATOM 114 CB LYS A 6 7.438 9.203 -0.765 1.00 0.00 C ATOM 115 CG LYS A 6 6.322 9.708 -1.663 1.00 0.00 C ATOM 116 CD LYS A 6 5.555 10.843 -1.007 1.00 0.00 C ATOM 117 CE LYS A 6 4.497 11.408 -1.939 1.00 0.00 C ATOM 118 NZ LYS A 6 3.726 12.510 -1.301 1.00 0.00 N ATOM 0 H LYS A 6 6.814 6.690 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 6 8.614 8.405 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.007 8.846 0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.097 10.035 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.741 10.049 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.639 8.890 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.082 10.484 -0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.248 11.634 -0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.973 11.777 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.814 10.613 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.014 12.868 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.251 12.152 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.374 13.280 -1.039 1.00 0.00 H new ATOM 132 N THR A 7 10.660 8.118 -1.017 1.00 0.00 N ATOM 133 CA THR A 7 11.890 7.895 -0.276 1.00 0.00 C ATOM 134 C THR A 7 11.953 8.798 0.948 1.00 0.00 C ATOM 135 O THR A 7 11.398 9.898 0.948 1.00 0.00 O ATOM 136 CB THR A 7 13.135 8.139 -1.151 1.00 0.00 C ATOM 137 OG1 THR A 7 13.121 7.261 -2.283 1.00 0.00 O ATOM 138 CG2 THR A 7 14.410 7.918 -0.356 1.00 0.00 C ATOM 0 H THR A 7 10.791 8.543 -1.935 1.00 0.00 H new ATOM 0 HA THR A 7 11.887 6.852 0.040 1.00 0.00 H new ATOM 0 HB THR A 7 13.110 9.174 -1.491 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.819 7.753 -3.075 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.274 8.097 -0.996 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.436 8.606 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.437 6.892 0.011 1.00 0.00 H new ATOM 146 N LEU A 8 12.634 8.325 1.984 1.00 0.00 N ATOM 147 CA LEU A 8 12.783 9.081 3.222 1.00 0.00 C ATOM 148 C LEU A 8 13.134 10.535 2.928 1.00 0.00 C ATOM 149 O LEU A 8 12.569 11.455 3.519 1.00 0.00 O ATOM 150 CB LEU A 8 13.877 8.457 4.089 1.00 0.00 C ATOM 151 CG LEU A 8 13.532 7.121 4.759 1.00 0.00 C ATOM 152 CD1 LEU A 8 12.908 6.143 3.775 1.00 0.00 C ATOM 153 CD2 LEU A 8 14.784 6.523 5.368 1.00 0.00 C ATOM 0 H LEU A 8 13.095 7.415 1.991 1.00 0.00 H new ATOM 0 HA LEU A 8 11.834 9.050 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.763 8.311 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.146 9.171 4.867 1.00 0.00 H new ATOM 0 HG LEU A 8 12.797 7.312 5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.678 5.209 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.991 6.570 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.608 5.948 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.539 5.574 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.525 6.356 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.190 7.208 6.112 1.00 0.00 H new ATOM 165 N THR A 9 14.075 10.733 2.009 1.00 0.00 N ATOM 166 CA THR A 9 14.507 12.072 1.633 1.00 0.00 C ATOM 167 C THR A 9 13.476 12.760 0.742 1.00 0.00 C ATOM 168 O THR A 9 13.145 13.927 0.950 1.00 0.00 O ATOM 169 CB THR A 9 15.861 12.040 0.900 1.00 0.00 C ATOM 170 OG1 THR A 9 15.755 11.249 -0.290 1.00 0.00 O ATOM 171 CG2 THR A 9 16.947 11.468 1.799 1.00 0.00 C ATOM 0 H THR A 9 14.552 9.981 1.512 1.00 0.00 H new ATOM 0 HA THR A 9 14.614 12.637 2.559 1.00 0.00 H new ATOM 0 HB THR A 9 16.131 13.062 0.634 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.619 11.235 -0.751 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.895 11.455 1.261 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.045 12.087 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.681 10.452 2.090 1.00 0.00 H new ATOM 179 N GLY A 10 12.971 12.032 -0.254 1.00 0.00 N ATOM 180 CA GLY A 10 11.984 12.602 -1.156 1.00 0.00 C ATOM 181 C GLY A 10 11.928 11.890 -2.496 1.00 0.00 C ATOM 182 O GLY A 10 10.876 11.843 -3.134 1.00 0.00 O ATOM 0 H GLY A 10 13.226 11.064 -0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.002 12.559 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.213 13.655 -1.319 1.00 0.00 H new ATOM 186 N LYS A 11 13.066 11.350 -2.925 1.00 0.00 N ATOM 187 CA LYS A 11 13.159 10.647 -4.204 1.00 0.00 C ATOM 188 C LYS A 11 11.972 9.711 -4.418 1.00 0.00 C ATOM 189 O LYS A 11 11.618 8.928 -3.540 1.00 0.00 O ATOM 190 CB LYS A 11 14.464 9.851 -4.272 1.00 0.00 C ATOM 191 CG LYS A 11 14.651 9.091 -5.577 1.00 0.00 C ATOM 192 CD LYS A 11 15.922 8.254 -5.564 1.00 0.00 C ATOM 193 CE LYS A 11 17.164 9.118 -5.413 1.00 0.00 C ATOM 194 NZ LYS A 11 17.303 10.092 -6.531 1.00 0.00 N ATOM 0 H LYS A 11 13.942 11.386 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 11 13.145 11.396 -4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.303 10.534 -4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.491 9.144 -3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.791 8.444 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.688 9.797 -6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.876 7.536 -4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.989 7.680 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.119 9.656 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.047 8.480 -5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.252 10.517 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.168 9.601 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.586 10.839 -6.432 1.00 0.00 H new ATOM 208 N THR A 12 11.365 9.796 -5.597 1.00 0.00 N ATOM 209 CA THR A 12 10.221 8.956 -5.935 1.00 0.00 C ATOM 210 C THR A 12 10.660 7.523 -6.216 1.00 0.00 C ATOM 211 O THR A 12 11.708 7.296 -6.822 1.00 0.00 O ATOM 212 CB THR A 12 9.469 9.498 -7.164 1.00 0.00 C ATOM 213 OG1 THR A 12 9.042 10.844 -6.922 1.00 0.00 O ATOM 214 CG2 THR A 12 8.259 8.632 -7.487 1.00 0.00 C ATOM 0 H THR A 12 11.647 10.440 -6.336 1.00 0.00 H new ATOM 0 HA THR A 12 9.552 8.970 -5.074 1.00 0.00 H new ATOM 0 HB THR A 12 10.150 9.477 -8.015 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.566 11.183 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.745 9.036 -8.359 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.586 7.614 -7.698 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.579 8.625 -6.635 1.00 0.00 H new ATOM 222 N ILE A 13 9.856 6.558 -5.779 1.00 0.00 N ATOM 223 CA ILE A 13 10.175 5.152 -5.995 1.00 0.00 C ATOM 224 C ILE A 13 8.996 4.413 -6.620 1.00 0.00 C ATOM 225 O ILE A 13 7.844 4.623 -6.241 1.00 0.00 O ATOM 226 CB ILE A 13 10.554 4.432 -4.685 1.00 0.00 C ATOM 227 CG1 ILE A 13 11.126 5.410 -3.660 1.00 0.00 C ATOM 228 CG2 ILE A 13 11.562 3.333 -4.973 1.00 0.00 C ATOM 229 CD1 ILE A 13 11.472 4.758 -2.338 1.00 0.00 C ATOM 0 H ILE A 13 8.984 6.723 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 13 11.031 5.137 -6.670 1.00 0.00 H new ATOM 0 HB ILE A 13 9.649 3.994 -4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 13 12.021 5.876 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.403 6.207 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.826 2.828 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.127 2.613 -5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.458 3.768 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.873 5.508 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.575 4.316 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 13 12.218 3.980 -2.500 1.00 0.00 H new ATOM 241 N THR A 14 9.298 3.538 -7.572 1.00 0.00 N ATOM 242 CA THR A 14 8.277 2.748 -8.248 1.00 0.00 C ATOM 243 C THR A 14 8.724 1.294 -8.313 1.00 0.00 C ATOM 244 O THR A 14 9.915 1.015 -8.457 1.00 0.00 O ATOM 245 CB THR A 14 8.002 3.275 -9.667 1.00 0.00 C ATOM 246 OG1 THR A 14 7.886 4.702 -9.643 1.00 0.00 O ATOM 247 CG2 THR A 14 6.720 2.679 -10.217 1.00 0.00 C ATOM 0 H THR A 14 10.249 3.357 -7.895 1.00 0.00 H new ATOM 0 HA THR A 14 7.351 2.828 -7.679 1.00 0.00 H new ATOM 0 HB THR A 14 8.834 2.984 -10.309 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.713 5.031 -10.550 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.542 3.063 -11.221 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.810 1.593 -10.254 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.886 2.952 -9.571 1.00 0.00 H new ATOM 255 N LEU A 15 7.784 0.368 -8.161 1.00 0.00 N ATOM 256 CA LEU A 15 8.131 -1.049 -8.157 1.00 0.00 C ATOM 257 C LEU A 15 6.945 -1.940 -8.532 1.00 0.00 C ATOM 258 O LEU A 15 5.966 -2.022 -7.797 1.00 0.00 O ATOM 259 CB LEU A 15 8.615 -1.404 -6.753 1.00 0.00 C ATOM 260 CG LEU A 15 8.869 -2.882 -6.491 1.00 0.00 C ATOM 261 CD1 LEU A 15 10.301 -3.229 -6.848 1.00 0.00 C ATOM 262 CD2 LEU A 15 8.592 -3.211 -5.033 1.00 0.00 C ATOM 0 H LEU A 15 6.791 0.567 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 15 8.905 -1.223 -8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.537 -0.857 -6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.876 -1.049 -6.034 1.00 0.00 H new ATOM 0 HG LEU A 15 8.198 -3.474 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.477 -4.288 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.475 -3.015 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.982 -2.634 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.777 -4.271 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.247 -2.618 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.553 -2.981 -4.799 1.00 0.00 H new ATOM 274 N GLU A 16 7.055 -2.628 -9.668 1.00 0.00 N ATOM 275 CA GLU A 16 5.997 -3.528 -10.117 1.00 0.00 C ATOM 276 C GLU A 16 5.949 -4.782 -9.248 1.00 0.00 C ATOM 277 O GLU A 16 6.973 -5.425 -9.011 1.00 0.00 O ATOM 278 CB GLU A 16 6.203 -3.912 -11.587 1.00 0.00 C ATOM 279 CG GLU A 16 7.499 -4.662 -11.851 1.00 0.00 C ATOM 280 CD GLU A 16 7.670 -5.032 -13.312 1.00 0.00 C ATOM 281 OE1 GLU A 16 6.783 -5.720 -13.858 1.00 0.00 O ATOM 282 OE2 GLU A 16 8.694 -4.638 -13.910 1.00 0.00 O ATOM 0 H GLU A 16 7.862 -2.579 -10.290 1.00 0.00 H new ATOM 0 HA GLU A 16 5.046 -3.004 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.365 -4.528 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.188 -3.007 -12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.342 -4.047 -11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.520 -5.568 -11.245 1.00 0.00 H new ATOM 289 N VAL A 17 4.753 -5.123 -8.778 1.00 0.00 N ATOM 290 CA VAL A 17 4.558 -6.298 -7.933 1.00 0.00 C ATOM 291 C VAL A 17 3.144 -6.846 -8.084 1.00 0.00 C ATOM 292 O VAL A 17 2.178 -6.086 -8.152 1.00 0.00 O ATOM 293 CB VAL A 17 4.815 -5.985 -6.445 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.282 -5.689 -6.195 1.00 0.00 C ATOM 295 CG2 VAL A 17 3.963 -4.815 -5.993 1.00 0.00 C ATOM 0 H VAL A 17 3.899 -4.599 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 17 5.281 -7.044 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 17 4.540 -6.866 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.434 -5.472 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.881 -6.555 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.586 -4.828 -6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.158 -4.608 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.209 -3.935 -6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.909 -5.060 -6.126 1.00 0.00 H new ATOM 305 N GLU A 18 3.029 -8.168 -8.143 1.00 0.00 N ATOM 306 CA GLU A 18 1.733 -8.818 -8.295 1.00 0.00 C ATOM 307 C GLU A 18 0.885 -8.658 -7.034 1.00 0.00 C ATOM 308 O GLU A 18 1.395 -8.739 -5.917 1.00 0.00 O ATOM 309 CB GLU A 18 1.919 -10.300 -8.618 1.00 0.00 C ATOM 310 CG GLU A 18 2.785 -10.548 -9.842 1.00 0.00 C ATOM 311 CD GLU A 18 2.959 -12.023 -10.146 1.00 0.00 C ATOM 312 OE1 GLU A 18 3.488 -12.750 -9.280 1.00 0.00 O ATOM 313 OE2 GLU A 18 2.563 -12.451 -11.251 1.00 0.00 O ATOM 0 H GLU A 18 3.819 -8.811 -8.088 1.00 0.00 H new ATOM 0 HA GLU A 18 1.209 -8.336 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.367 -10.798 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.941 -10.755 -8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.338 -10.054 -10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.764 -10.095 -9.687 1.00 0.00 H new ATOM 320 N PRO A 19 -0.431 -8.434 -7.203 1.00 0.00 N ATOM 321 CA PRO A 19 -1.363 -8.267 -6.082 1.00 0.00 C ATOM 322 C PRO A 19 -1.292 -9.424 -5.097 1.00 0.00 C ATOM 323 O PRO A 19 -1.428 -9.240 -3.888 1.00 0.00 O ATOM 324 CB PRO A 19 -2.745 -8.246 -6.749 1.00 0.00 C ATOM 325 CG PRO A 19 -2.526 -8.707 -8.152 1.00 0.00 C ATOM 326 CD PRO A 19 -1.117 -8.328 -8.497 1.00 0.00 C ATOM 0 HA PRO A 19 -1.135 -7.369 -5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.442 -8.901 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.174 -7.244 -6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.672 -9.784 -8.236 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.235 -8.235 -8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.687 -9.000 -9.240 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.057 -7.320 -8.906 1.00 0.00 H new ATOM 334 N SER A 20 -1.088 -10.618 -5.633 1.00 0.00 N ATOM 335 CA SER A 20 -1.009 -11.823 -4.826 1.00 0.00 C ATOM 336 C SER A 20 0.195 -11.781 -3.892 1.00 0.00 C ATOM 337 O SER A 20 0.153 -12.323 -2.788 1.00 0.00 O ATOM 338 CB SER A 20 -0.934 -13.045 -5.737 1.00 0.00 C ATOM 339 OG SER A 20 -0.869 -14.244 -4.985 1.00 0.00 O ATOM 0 H SER A 20 -0.973 -10.777 -6.634 1.00 0.00 H new ATOM 0 HA SER A 20 -1.905 -11.887 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.807 -13.069 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.057 -12.969 -6.380 1.00 0.00 H new ATOM 0 HG SER A 20 -0.823 -15.010 -5.594 1.00 0.00 H new ATOM 345 N ASP A 21 1.265 -11.130 -4.339 1.00 0.00 N ATOM 346 CA ASP A 21 2.474 -11.017 -3.534 1.00 0.00 C ATOM 347 C ASP A 21 2.167 -10.387 -2.179 1.00 0.00 C ATOM 348 O ASP A 21 1.478 -9.370 -2.095 1.00 0.00 O ATOM 349 CB ASP A 21 3.532 -10.193 -4.270 1.00 0.00 C ATOM 350 CG ASP A 21 4.097 -10.917 -5.476 1.00 0.00 C ATOM 351 OD1 ASP A 21 4.607 -12.043 -5.307 1.00 0.00 O ATOM 352 OD2 ASP A 21 4.037 -10.353 -6.588 1.00 0.00 O ATOM 0 H ASP A 21 1.318 -10.675 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 21 2.864 -12.021 -3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.094 -9.248 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.343 -9.952 -3.583 1.00 0.00 H new ATOM 357 N THR A 22 2.680 -11.005 -1.119 1.00 0.00 N ATOM 358 CA THR A 22 2.462 -10.521 0.239 1.00 0.00 C ATOM 359 C THR A 22 3.000 -9.107 0.425 1.00 0.00 C ATOM 360 O THR A 22 4.001 -8.726 -0.183 1.00 0.00 O ATOM 361 CB THR A 22 3.121 -11.446 1.278 1.00 0.00 C ATOM 362 OG1 THR A 22 4.524 -11.565 1.010 1.00 0.00 O ATOM 363 CG2 THR A 22 2.476 -12.822 1.257 1.00 0.00 C ATOM 0 H THR A 22 3.253 -11.847 -1.176 1.00 0.00 H new ATOM 0 HA THR A 22 1.383 -10.515 0.395 1.00 0.00 H new ATOM 0 HB THR A 22 2.978 -11.009 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.936 -12.154 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.956 -13.460 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.415 -12.730 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.593 -13.264 0.267 1.00 0.00 H new ATOM 371 N ILE A 23 2.327 -8.337 1.277 1.00 0.00 N ATOM 372 CA ILE A 23 2.733 -6.963 1.556 1.00 0.00 C ATOM 373 C ILE A 23 4.192 -6.909 2.001 1.00 0.00 C ATOM 374 O ILE A 23 4.923 -5.980 1.663 1.00 0.00 O ATOM 375 CB ILE A 23 1.848 -6.321 2.645 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.379 -6.321 2.210 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.317 -4.904 2.941 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.559 -5.708 3.231 1.00 0.00 C ATOM 0 H ILE A 23 1.498 -8.642 1.786 1.00 0.00 H new ATOM 0 HA ILE A 23 2.613 -6.400 0.630 1.00 0.00 H new ATOM 0 HB ILE A 23 1.936 -6.912 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.287 -5.775 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.067 -7.347 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.683 -4.464 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.349 -4.928 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.255 -4.303 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.581 -5.743 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.497 -6.268 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.274 -4.671 3.410 1.00 0.00 H new ATOM 390 N GLU A 24 4.608 -7.912 2.764 1.00 0.00 N ATOM 391 CA GLU A 24 5.980 -7.984 3.254 1.00 0.00 C ATOM 392 C GLU A 24 6.958 -8.221 2.107 1.00 0.00 C ATOM 393 O GLU A 24 8.101 -7.765 2.147 1.00 0.00 O ATOM 394 CB GLU A 24 6.115 -9.099 4.293 1.00 0.00 C ATOM 395 CG GLU A 24 5.761 -10.477 3.758 1.00 0.00 C ATOM 396 CD GLU A 24 5.910 -11.567 4.802 1.00 0.00 C ATOM 397 OE1 GLU A 24 6.294 -11.246 5.947 1.00 0.00 O ATOM 398 OE2 GLU A 24 5.645 -12.743 4.475 1.00 0.00 O ATOM 0 H GLU A 24 4.015 -8.688 3.058 1.00 0.00 H new ATOM 0 HA GLU A 24 6.222 -7.029 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.139 -9.115 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.471 -8.872 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.734 -10.468 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.400 -10.706 2.906 1.00 0.00 H new ATOM 405 N ASN A 25 6.505 -8.948 1.088 1.00 0.00 N ATOM 406 CA ASN A 25 7.341 -9.259 -0.065 1.00 0.00 C ATOM 407 C ASN A 25 7.617 -8.013 -0.898 1.00 0.00 C ATOM 408 O ASN A 25 8.759 -7.746 -1.274 1.00 0.00 O ATOM 409 CB ASN A 25 6.673 -10.328 -0.930 1.00 0.00 C ATOM 410 CG ASN A 25 7.566 -10.802 -2.059 1.00 0.00 C ATOM 411 OD1 ASN A 25 7.030 -10.821 -3.272 1.00 0.00 O flip ATOM 412 ND2 ASN A 25 8.722 -11.162 -1.841 1.00 0.00 N flip ATOM 0 H ASN A 25 5.562 -9.333 1.039 1.00 0.00 H new ATOM 0 HA ASN A 25 8.293 -9.640 0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.400 -11.178 -0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.748 -9.929 -1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.095 -11.131 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.307 -11.491 -2.609 1.00 0.00 H new ATOM 419 N VAL A 26 6.565 -7.252 -1.185 1.00 0.00 N ATOM 420 CA VAL A 26 6.701 -6.037 -1.975 1.00 0.00 C ATOM 421 C VAL A 26 7.638 -5.043 -1.292 1.00 0.00 C ATOM 422 O VAL A 26 8.439 -4.379 -1.949 1.00 0.00 O ATOM 423 CB VAL A 26 5.334 -5.373 -2.230 1.00 0.00 C ATOM 424 CG1 VAL A 26 4.392 -6.342 -2.925 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.722 -4.857 -0.937 1.00 0.00 C ATOM 0 H VAL A 26 5.612 -7.456 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 26 7.129 -6.325 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 26 5.493 -4.517 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.432 -5.856 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.821 -6.645 -3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.246 -7.221 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.758 -4.394 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.581 -5.687 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.388 -4.120 -0.488 1.00 0.00 H new ATOM 435 N LYS A 27 7.534 -4.954 0.031 1.00 0.00 N ATOM 436 CA LYS A 27 8.374 -4.051 0.810 1.00 0.00 C ATOM 437 C LYS A 27 9.834 -4.491 0.773 1.00 0.00 C ATOM 438 O LYS A 27 10.740 -3.661 0.712 1.00 0.00 O ATOM 439 CB LYS A 27 7.894 -3.994 2.260 1.00 0.00 C ATOM 440 CG LYS A 27 6.503 -3.411 2.428 1.00 0.00 C ATOM 441 CD LYS A 27 6.087 -3.397 3.890 1.00 0.00 C ATOM 442 CE LYS A 27 4.726 -2.751 4.080 1.00 0.00 C ATOM 443 NZ LYS A 27 4.305 -2.753 5.507 1.00 0.00 N ATOM 0 H LYS A 27 6.874 -5.498 0.587 1.00 0.00 H new ATOM 0 HA LYS A 27 8.297 -3.059 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.907 -5.001 2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.598 -3.400 2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.481 -2.396 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.788 -3.996 1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.062 -4.418 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.831 -2.857 4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.756 -1.725 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.985 -3.282 3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.333 -3.116 5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.945 -3.361 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.342 -1.783 5.881 1.00 0.00 H new ATOM 457 N ALA A 28 10.050 -5.803 0.825 1.00 0.00 N ATOM 458 CA ALA A 28 11.397 -6.360 0.809 1.00 0.00 C ATOM 459 C ALA A 28 12.228 -5.776 -0.329 1.00 0.00 C ATOM 460 O ALA A 28 13.417 -5.501 -0.164 1.00 0.00 O ATOM 461 CB ALA A 28 11.337 -7.876 0.702 1.00 0.00 C ATOM 0 H ALA A 28 9.307 -6.500 0.879 1.00 0.00 H new ATOM 0 HA ALA A 28 11.884 -6.090 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.349 -8.280 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.794 -8.280 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.825 -8.156 -0.218 1.00 0.00 H new ATOM 467 N LYS A 29 11.593 -5.574 -1.480 1.00 0.00 N ATOM 468 CA LYS A 29 12.272 -5.009 -2.637 1.00 0.00 C ATOM 469 C LYS A 29 12.633 -3.562 -2.359 1.00 0.00 C ATOM 470 O LYS A 29 13.722 -3.106 -2.696 1.00 0.00 O ATOM 471 CB LYS A 29 11.377 -5.094 -3.874 1.00 0.00 C ATOM 472 CG LYS A 29 10.720 -6.451 -4.054 1.00 0.00 C ATOM 473 CD LYS A 29 9.876 -6.503 -5.316 1.00 0.00 C ATOM 474 CE LYS A 29 9.247 -7.874 -5.507 1.00 0.00 C ATOM 475 NZ LYS A 29 8.436 -7.945 -6.754 1.00 0.00 N ATOM 0 H LYS A 29 10.609 -5.794 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 29 13.182 -5.579 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.602 -4.330 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.971 -4.867 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.487 -7.224 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.095 -6.670 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.093 -5.746 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.495 -6.262 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.030 -8.631 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.615 -8.106 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.476 -8.273 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.385 -7.002 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.880 -8.610 -7.419 1.00 0.00 H new ATOM 489 N ILE A 30 11.704 -2.852 -1.727 1.00 0.00 N ATOM 490 CA ILE A 30 11.910 -1.455 -1.380 1.00 0.00 C ATOM 491 C ILE A 30 13.184 -1.295 -0.558 1.00 0.00 C ATOM 492 O ILE A 30 13.920 -0.322 -0.718 1.00 0.00 O ATOM 493 CB ILE A 30 10.712 -0.897 -0.590 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.427 -1.029 -1.412 1.00 0.00 C ATOM 495 CG2 ILE A 30 10.959 0.557 -0.208 1.00 0.00 C ATOM 496 CD1 ILE A 30 8.187 -0.555 -0.684 1.00 0.00 C ATOM 0 H ILE A 30 10.798 -3.226 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 30 12.006 -0.892 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 30 10.596 -1.477 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.536 -0.459 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.294 -2.073 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.103 0.937 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.854 0.624 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.097 1.152 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.317 -0.679 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.052 -1.142 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.298 0.498 -0.423 1.00 0.00 H new ATOM 508 N GLN A 31 13.449 -2.272 0.309 1.00 0.00 N ATOM 509 CA GLN A 31 14.646 -2.252 1.137 1.00 0.00 C ATOM 510 C GLN A 31 15.875 -2.319 0.245 1.00 0.00 C ATOM 511 O GLN A 31 16.834 -1.570 0.424 1.00 0.00 O ATOM 512 CB GLN A 31 14.644 -3.432 2.110 1.00 0.00 C ATOM 513 CG GLN A 31 13.431 -3.472 3.024 1.00 0.00 C ATOM 514 CD GLN A 31 13.446 -4.669 3.955 1.00 0.00 C ATOM 515 OE1 GLN A 31 12.434 -5.521 3.839 1.00 0.00 O flip ATOM 516 NE2 GLN A 31 14.357 -4.828 4.767 1.00 0.00 N flip ATOM 0 H GLN A 31 12.849 -3.084 0.453 1.00 0.00 H new ATOM 0 HA GLN A 31 14.663 -1.328 1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.689 -4.360 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.546 -3.389 2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.395 -2.557 3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.525 -3.497 2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.115 -4.148 4.822 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.354 -5.640 5.385 1.00 0.00 H new ATOM 525 N ASP A 32 15.824 -3.214 -0.731 1.00 0.00 N ATOM 526 CA ASP A 32 16.915 -3.375 -1.676 1.00 0.00 C ATOM 527 C ASP A 32 17.032 -2.128 -2.543 1.00 0.00 C ATOM 528 O ASP A 32 18.121 -1.739 -2.965 1.00 0.00 O ATOM 529 CB ASP A 32 16.683 -4.602 -2.557 1.00 0.00 C ATOM 530 CG ASP A 32 17.819 -4.839 -3.532 1.00 0.00 C ATOM 531 OD1 ASP A 32 18.953 -5.088 -3.072 1.00 0.00 O ATOM 532 OD2 ASP A 32 17.577 -4.774 -4.755 1.00 0.00 O ATOM 0 H ASP A 32 15.035 -3.841 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 32 17.842 -3.517 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.562 -5.482 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.753 -4.477 -3.111 1.00 0.00 H new ATOM 537 N LYS A 33 15.882 -1.518 -2.804 1.00 0.00 N ATOM 538 CA LYS A 33 15.797 -0.318 -3.623 1.00 0.00 C ATOM 539 C LYS A 33 16.359 0.906 -2.902 1.00 0.00 C ATOM 540 O LYS A 33 16.897 1.813 -3.538 1.00 0.00 O ATOM 541 CB LYS A 33 14.343 -0.079 -4.035 1.00 0.00 C ATOM 542 CG LYS A 33 13.808 -1.138 -4.986 1.00 0.00 C ATOM 543 CD LYS A 33 12.379 -0.843 -5.416 1.00 0.00 C ATOM 544 CE LYS A 33 12.298 0.416 -6.263 1.00 0.00 C ATOM 545 NZ LYS A 33 13.112 0.306 -7.504 1.00 0.00 N ATOM 0 H LYS A 33 14.981 -1.843 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 33 16.407 -0.473 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.719 -0.053 -3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.262 0.899 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.448 -1.192 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.848 -2.114 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.987 -1.688 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.749 -0.730 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.258 0.609 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.642 1.269 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.838 1.059 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.120 0.403 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.947 -0.621 -7.946 1.00 0.00 H new ATOM 559 N GLU A 34 16.232 0.937 -1.577 1.00 0.00 N ATOM 560 CA GLU A 34 16.731 2.066 -0.796 1.00 0.00 C ATOM 561 C GLU A 34 17.478 1.600 0.451 1.00 0.00 C ATOM 562 O GLU A 34 18.664 1.889 0.615 1.00 0.00 O ATOM 563 CB GLU A 34 15.577 2.989 -0.398 1.00 0.00 C ATOM 564 CG GLU A 34 14.843 3.597 -1.583 1.00 0.00 C ATOM 565 CD GLU A 34 15.720 4.516 -2.416 1.00 0.00 C ATOM 566 OE1 GLU A 34 16.895 4.717 -2.045 1.00 0.00 O ATOM 567 OE2 GLU A 34 15.226 5.038 -3.437 1.00 0.00 O ATOM 0 H GLU A 34 15.792 0.200 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 34 17.433 2.616 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.867 2.427 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.965 3.792 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.461 2.796 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.981 4.157 -1.221 1.00 0.00 H new ATOM 574 N GLY A 35 16.787 0.874 1.326 1.00 0.00 N ATOM 575 CA GLY A 35 17.423 0.385 2.538 1.00 0.00 C ATOM 576 C GLY A 35 16.713 0.829 3.803 1.00 0.00 C ATOM 577 O GLY A 35 17.319 1.455 4.673 1.00 0.00 O ATOM 0 H GLY A 35 15.806 0.617 1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.456 -0.704 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.455 0.734 2.566 1.00 0.00 H new ATOM 581 N ILE A 36 15.430 0.501 3.910 1.00 0.00 N ATOM 582 CA ILE A 36 14.644 0.865 5.075 1.00 0.00 C ATOM 583 C ILE A 36 13.619 -0.214 5.413 1.00 0.00 C ATOM 584 O ILE A 36 12.897 -0.694 4.539 1.00 0.00 O ATOM 585 CB ILE A 36 13.919 2.212 4.874 1.00 0.00 C ATOM 586 CG1 ILE A 36 13.846 2.587 3.389 1.00 0.00 C ATOM 587 CG2 ILE A 36 14.617 3.304 5.662 1.00 0.00 C ATOM 588 CD1 ILE A 36 12.965 1.675 2.564 1.00 0.00 C ATOM 0 H ILE A 36 14.914 -0.018 3.199 1.00 0.00 H new ATOM 0 HA ILE A 36 15.344 0.964 5.905 1.00 0.00 H new ATOM 0 HB ILE A 36 12.899 2.106 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.476 3.609 3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.853 2.576 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.097 4.250 5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.610 3.049 6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.647 3.399 5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.967 2.008 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.345 0.655 2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.947 1.704 2.952 1.00 0.00 H new ATOM 600 N PRO A 37 13.558 -0.617 6.697 1.00 0.00 N ATOM 601 CA PRO A 37 12.633 -1.649 7.173 1.00 0.00 C ATOM 602 C PRO A 37 11.238 -1.539 6.557 1.00 0.00 C ATOM 603 O PRO A 37 10.705 -0.442 6.393 1.00 0.00 O ATOM 604 CB PRO A 37 12.574 -1.372 8.671 1.00 0.00 C ATOM 605 CG PRO A 37 13.935 -0.868 9.003 1.00 0.00 C ATOM 606 CD PRO A 37 14.404 -0.102 7.794 1.00 0.00 C ATOM 0 HA PRO A 37 12.968 -2.651 6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.807 -0.635 8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.335 -2.274 9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.909 -0.227 9.884 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.611 -1.692 9.228 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.276 0.972 7.927 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.462 -0.275 7.597 1.00 0.00 H new ATOM 614 N PRO A 38 10.632 -2.688 6.207 1.00 0.00 N ATOM 615 CA PRO A 38 9.294 -2.733 5.604 1.00 0.00 C ATOM 616 C PRO A 38 8.221 -2.132 6.508 1.00 0.00 C ATOM 617 O PRO A 38 7.281 -1.496 6.031 1.00 0.00 O ATOM 618 CB PRO A 38 9.036 -4.230 5.392 1.00 0.00 C ATOM 619 CG PRO A 38 10.006 -4.931 6.278 1.00 0.00 C ATOM 620 CD PRO A 38 11.205 -4.034 6.372 1.00 0.00 C ATOM 0 HA PRO A 38 9.251 -2.147 4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.010 -4.492 5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.184 -4.510 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.575 -5.111 7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.278 -5.903 5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.713 -4.140 7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.937 -4.258 5.596 1.00 0.00 H new ATOM 628 N ASP A 39 8.365 -2.342 7.812 1.00 0.00 N ATOM 629 CA ASP A 39 7.407 -1.825 8.784 1.00 0.00 C ATOM 630 C ASP A 39 7.298 -0.308 8.680 1.00 0.00 C ATOM 631 O ASP A 39 6.215 0.259 8.832 1.00 0.00 O ATOM 632 CB ASP A 39 7.826 -2.230 10.201 1.00 0.00 C ATOM 633 CG ASP A 39 6.817 -1.814 11.256 1.00 0.00 C ATOM 634 OD1 ASP A 39 5.783 -1.216 10.894 1.00 0.00 O ATOM 635 OD2 ASP A 39 7.062 -2.089 12.449 1.00 0.00 O ATOM 0 H ASP A 39 9.137 -2.868 8.221 1.00 0.00 H new ATOM 0 HA ASP A 39 6.429 -2.254 8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.960 -3.311 10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.792 -1.780 10.432 1.00 0.00 H new ATOM 640 N GLN A 40 8.427 0.341 8.423 1.00 0.00 N ATOM 641 CA GLN A 40 8.465 1.791 8.304 1.00 0.00 C ATOM 642 C GLN A 40 7.548 2.287 7.191 1.00 0.00 C ATOM 643 O GLN A 40 6.804 3.250 7.374 1.00 0.00 O ATOM 644 CB GLN A 40 9.897 2.254 8.044 1.00 0.00 C ATOM 645 CG GLN A 40 10.837 2.007 9.212 1.00 0.00 C ATOM 646 CD GLN A 40 12.296 2.081 8.810 1.00 0.00 C ATOM 647 OE1 GLN A 40 12.548 2.185 7.509 1.00 0.00 O flip ATOM 648 NE2 GLN A 40 13.188 2.034 9.658 1.00 0.00 N flip ATOM 0 H GLN A 40 9.330 -0.116 8.293 1.00 0.00 H new ATOM 0 HA GLN A 40 8.109 2.213 9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.282 1.740 7.163 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.889 3.319 7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.641 2.742 9.993 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.631 1.025 9.639 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.948 1.954 10.646 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.166 2.075 9.372 1.00 0.00 H new ATOM 657 N GLN A 41 7.608 1.629 6.035 1.00 0.00 N ATOM 658 CA GLN A 41 6.781 2.015 4.895 1.00 0.00 C ATOM 659 C GLN A 41 5.307 2.058 5.287 1.00 0.00 C ATOM 660 O GLN A 41 4.759 1.076 5.789 1.00 0.00 O ATOM 661 CB GLN A 41 6.980 1.042 3.728 1.00 0.00 C ATOM 662 CG GLN A 41 8.324 1.174 3.023 1.00 0.00 C ATOM 663 CD GLN A 41 9.507 0.861 3.919 1.00 0.00 C ATOM 664 OE1 GLN A 41 9.811 1.602 4.854 1.00 0.00 O ATOM 665 NE2 GLN A 41 10.183 -0.246 3.637 1.00 0.00 N ATOM 0 H GLN A 41 8.218 0.830 5.864 1.00 0.00 H new ATOM 0 HA GLN A 41 7.090 3.012 4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.876 0.022 4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.184 1.199 3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.342 0.505 2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.427 2.189 2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.897 -0.832 2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.988 -0.510 4.205 1.00 0.00 H new ATOM 674 N ARG A 42 4.674 3.205 5.062 1.00 0.00 N ATOM 675 CA ARG A 42 3.272 3.379 5.400 1.00 0.00 C ATOM 676 C ARG A 42 2.367 3.023 4.225 1.00 0.00 C ATOM 677 O ARG A 42 2.490 3.596 3.144 1.00 0.00 O ATOM 678 CB ARG A 42 3.009 4.820 5.844 1.00 0.00 C ATOM 679 CG ARG A 42 1.564 5.085 6.235 1.00 0.00 C ATOM 680 CD ARG A 42 1.360 6.527 6.671 1.00 0.00 C ATOM 681 NE ARG A 42 2.187 6.873 7.823 1.00 0.00 N ATOM 682 CZ ARG A 42 2.192 8.074 8.394 1.00 0.00 C ATOM 683 NH1 ARG A 42 1.417 9.040 7.920 1.00 0.00 N ATOM 684 NH2 ARG A 42 2.972 8.309 9.440 1.00 0.00 N ATOM 0 H ARG A 42 5.113 4.027 4.647 1.00 0.00 H new ATOM 0 HA ARG A 42 3.042 2.701 6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.654 5.053 6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.287 5.496 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.911 4.863 5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.276 4.415 7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.597 7.193 5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.310 6.686 6.918 1.00 0.00 H new ATOM 0 HE ARG A 42 2.796 6.153 8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.815 8.863 7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.423 9.960 8.360 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.569 7.568 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.975 9.231 9.877 1.00 0.00 H new ATOM 698 N LEU A 43 1.451 2.084 4.447 1.00 0.00 N ATOM 699 CA LEU A 43 0.518 1.663 3.406 1.00 0.00 C ATOM 700 C LEU A 43 -0.547 2.723 3.162 1.00 0.00 C ATOM 701 O LEU A 43 -1.153 3.237 4.103 1.00 0.00 O ATOM 702 CB LEU A 43 -0.142 0.330 3.774 1.00 0.00 C ATOM 703 CG LEU A 43 0.730 -0.907 3.552 1.00 0.00 C ATOM 704 CD1 LEU A 43 2.022 -0.803 4.346 1.00 0.00 C ATOM 705 CD2 LEU A 43 -0.024 -2.173 3.928 1.00 0.00 C ATOM 0 H LEU A 43 1.335 1.601 5.338 1.00 0.00 H new ATOM 0 HA LEU A 43 1.088 1.530 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.436 0.365 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.056 0.221 3.190 1.00 0.00 H new ATOM 0 HG LEU A 43 0.980 -0.959 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.627 -1.693 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.575 0.080 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.791 -0.721 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.615 -3.040 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.309 -2.128 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.920 -2.259 3.313 1.00 0.00 H new ATOM 717 N ILE A 44 -0.770 3.043 1.893 1.00 0.00 N ATOM 718 CA ILE A 44 -1.761 4.040 1.517 1.00 0.00 C ATOM 719 C ILE A 44 -2.464 3.648 0.222 1.00 0.00 C ATOM 720 O ILE A 44 -1.821 3.228 -0.739 1.00 0.00 O ATOM 721 CB ILE A 44 -1.119 5.430 1.352 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.460 5.858 2.665 1.00 0.00 C ATOM 723 CG2 ILE A 44 -2.161 6.450 0.915 1.00 0.00 C ATOM 724 CD1 ILE A 44 0.312 7.152 2.566 1.00 0.00 C ATOM 0 H ILE A 44 -0.275 2.624 1.106 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.495 4.086 2.322 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.353 5.376 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.230 5.963 3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.214 5.068 2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.690 7.427 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.592 6.144 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.948 6.511 1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.750 7.390 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.105 7.047 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.361 7.955 2.265 1.00 0.00 H new ATOM 736 N PHE A 45 -3.788 3.777 0.209 1.00 0.00 N ATOM 737 CA PHE A 45 -4.585 3.428 -0.965 1.00 0.00 C ATOM 738 C PHE A 45 -5.517 4.574 -1.348 1.00 0.00 C ATOM 739 O PHE A 45 -6.025 5.283 -0.480 1.00 0.00 O ATOM 740 CB PHE A 45 -5.408 2.160 -0.700 1.00 0.00 C ATOM 741 CG PHE A 45 -4.582 0.936 -0.416 1.00 0.00 C ATOM 742 CD1 PHE A 45 -3.816 0.848 0.736 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.572 -0.127 -1.305 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.057 -0.277 0.996 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.815 -1.255 -1.050 1.00 0.00 C ATOM 746 CZ PHE A 45 -3.056 -1.329 0.102 1.00 0.00 C ATOM 0 H PHE A 45 -4.333 4.121 0.999 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.899 3.242 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.071 2.341 0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.041 1.964 -1.565 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.812 1.668 1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.163 -0.073 -2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.465 -0.333 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.817 -2.077 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.463 -2.209 0.303 1.00 0.00 H new ATOM 756 N ALA A 46 -5.736 4.755 -2.649 1.00 0.00 N ATOM 757 CA ALA A 46 -6.612 5.823 -3.126 1.00 0.00 C ATOM 758 C ALA A 46 -7.235 5.473 -4.474 1.00 0.00 C ATOM 759 O ALA A 46 -6.539 5.089 -5.413 1.00 0.00 O ATOM 760 CB ALA A 46 -5.840 7.131 -3.225 1.00 0.00 C ATOM 0 H ALA A 46 -5.323 4.182 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.421 5.940 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.503 7.919 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.452 7.400 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.011 7.012 -3.922 1.00 0.00 H new ATOM 766 N GLY A 47 -8.555 5.610 -4.559 1.00 0.00 N ATOM 767 CA GLY A 47 -9.262 5.304 -5.790 1.00 0.00 C ATOM 768 C GLY A 47 -8.749 6.095 -6.977 1.00 0.00 C ATOM 769 O GLY A 47 -8.466 7.287 -6.863 1.00 0.00 O ATOM 0 H GLY A 47 -9.150 5.929 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.168 4.239 -6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.324 5.510 -5.654 1.00 0.00 H new ATOM 868 N MET B 1 -1.804 -4.589 11.177 1.00 0.00 N ATOM 869 CA MET B 1 -1.432 -3.210 10.890 1.00 0.00 C ATOM 870 C MET B 1 -2.500 -2.515 10.055 1.00 0.00 C ATOM 871 O MET B 1 -2.723 -2.865 8.895 1.00 0.00 O ATOM 872 CB MET B 1 -0.086 -3.168 10.162 1.00 0.00 C ATOM 873 CG MET B 1 -0.022 -4.086 8.951 1.00 0.00 C ATOM 874 SD MET B 1 1.537 -3.957 8.057 1.00 0.00 S ATOM 875 CE MET B 1 1.439 -2.273 7.456 1.00 0.00 C ATOM 0 H1 MET B 1 -0.993 -5.087 11.597 1.00 0.00 H new ATOM 0 H2 MET B 1 -2.602 -4.602 11.844 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.083 -5.064 10.295 1.00 0.00 H new ATOM 0 HA MET B 1 -1.344 -2.679 11.838 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.114 -2.145 9.843 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.704 -3.445 10.860 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.166 -5.117 9.275 1.00 0.00 H new ATOM 0 HG3 MET B 1 -0.843 -3.847 8.276 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.547 -2.267 6.371 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.474 -1.846 7.727 1.00 0.00 H new ATOM 0 HE3 MET B 1 2.237 -1.680 7.904 1.00 0.00 H new ATOM 885 N GLN B 2 -3.154 -1.523 10.649 1.00 0.00 N ATOM 886 CA GLN B 2 -4.192 -0.776 9.960 1.00 0.00 C ATOM 887 C GLN B 2 -3.591 0.085 8.850 1.00 0.00 C ATOM 888 O GLN B 2 -2.692 0.891 9.089 1.00 0.00 O ATOM 889 CB GLN B 2 -4.960 0.088 10.961 1.00 0.00 C ATOM 890 CG GLN B 2 -4.098 1.126 11.660 1.00 0.00 C ATOM 891 CD GLN B 2 -4.856 1.929 12.704 1.00 0.00 C ATOM 892 OE1 GLN B 2 -6.138 1.623 12.883 1.00 0.00 O flip ATOM 893 NE2 GLN B 2 -4.292 2.815 13.346 1.00 0.00 N flip ATOM 0 H GLN B 2 -2.981 -1.220 11.607 1.00 0.00 H new ATOM 0 HA GLN B 2 -4.886 -1.479 9.499 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.773 0.594 10.441 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.415 -0.558 11.711 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -3.255 0.627 12.137 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.686 1.807 10.916 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -3.307 3.018 13.178 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -4.810 3.346 14.046 1.00 0.00 H new ATOM 902 N ILE B 3 -4.090 -0.106 7.635 1.00 0.00 N ATOM 903 CA ILE B 3 -3.605 0.636 6.477 1.00 0.00 C ATOM 904 C ILE B 3 -4.356 1.949 6.290 1.00 0.00 C ATOM 905 O ILE B 3 -5.553 2.037 6.562 1.00 0.00 O ATOM 906 CB ILE B 3 -3.723 -0.195 5.185 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.184 -0.540 4.891 1.00 0.00 C ATOM 908 CG2 ILE B 3 -2.891 -1.461 5.297 1.00 0.00 C ATOM 909 CD1 ILE B 3 -5.372 -1.303 3.597 1.00 0.00 C ATOM 0 H ILE B 3 -4.834 -0.772 7.425 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.555 0.853 6.672 1.00 0.00 H new ATOM 0 HB ILE B 3 -3.343 0.403 4.357 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -5.583 -1.132 5.715 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -5.766 0.381 4.849 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -2.983 -2.039 4.378 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -1.846 -1.196 5.456 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.247 -2.057 6.138 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -6.431 -1.515 3.450 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -5.003 -0.704 2.764 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -4.817 -2.240 3.643 1.00 0.00 H new ATOM 921 N PHE B 4 -3.644 2.963 5.810 1.00 0.00 N ATOM 922 CA PHE B 4 -4.241 4.271 5.569 1.00 0.00 C ATOM 923 C PHE B 4 -4.816 4.334 4.159 1.00 0.00 C ATOM 924 O PHE B 4 -4.181 3.890 3.205 1.00 0.00 O ATOM 925 CB PHE B 4 -3.203 5.383 5.757 1.00 0.00 C ATOM 926 CG PHE B 4 -2.690 5.515 7.165 1.00 0.00 C ATOM 927 CD1 PHE B 4 -2.140 4.427 7.828 1.00 0.00 C ATOM 928 CD2 PHE B 4 -2.755 6.732 7.824 1.00 0.00 C ATOM 929 CE1 PHE B 4 -1.666 4.553 9.119 1.00 0.00 C ATOM 930 CE2 PHE B 4 -2.282 6.863 9.117 1.00 0.00 C ATOM 931 CZ PHE B 4 -1.737 5.772 9.766 1.00 0.00 C ATOM 0 H PHE B 4 -2.652 2.904 5.580 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.044 4.419 6.291 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.361 5.195 5.091 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.644 6.332 5.452 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.082 3.471 7.329 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.180 7.589 7.322 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -1.240 3.698 9.623 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -2.339 7.818 9.619 1.00 0.00 H new ATOM 0 HZ PHE B 4 -1.368 5.871 10.776 1.00 0.00 H new ATOM 941 N VAL B 5 -6.023 4.875 4.032 1.00 0.00 N ATOM 942 CA VAL B 5 -6.676 4.979 2.731 1.00 0.00 C ATOM 943 C VAL B 5 -7.571 6.212 2.662 1.00 0.00 C ATOM 944 O VAL B 5 -8.287 6.527 3.612 1.00 0.00 O ATOM 945 CB VAL B 5 -7.532 3.730 2.425 1.00 0.00 C ATOM 946 CG1 VAL B 5 -8.166 3.840 1.046 1.00 0.00 C ATOM 947 CG2 VAL B 5 -6.702 2.460 2.535 1.00 0.00 C ATOM 0 H VAL B 5 -6.567 5.247 4.810 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.882 5.061 1.989 1.00 0.00 H new ATOM 0 HB VAL B 5 -8.329 3.676 3.167 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.765 2.951 0.849 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.804 4.723 1.008 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.384 3.925 0.292 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -7.329 1.596 2.315 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -5.878 2.501 1.823 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -6.304 2.372 3.546 1.00 0.00 H new ATOM 957 N LYS B 6 -7.530 6.903 1.528 1.00 0.00 N ATOM 958 CA LYS B 6 -8.345 8.095 1.331 1.00 0.00 C ATOM 959 C LYS B 6 -9.537 7.793 0.430 1.00 0.00 C ATOM 960 O LYS B 6 -9.374 7.298 -0.686 1.00 0.00 O ATOM 961 CB LYS B 6 -7.509 9.223 0.724 1.00 0.00 C ATOM 962 CG LYS B 6 -6.406 9.727 1.637 1.00 0.00 C ATOM 963 CD LYS B 6 -5.629 10.863 0.993 1.00 0.00 C ATOM 964 CE LYS B 6 -4.583 11.429 1.938 1.00 0.00 C ATOM 965 NZ LYS B 6 -3.802 12.529 1.310 1.00 0.00 N ATOM 0 H LYS B 6 -6.941 6.658 0.732 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.715 8.413 2.306 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.065 8.873 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -8.167 10.054 0.471 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -6.838 10.067 2.578 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -5.727 8.909 1.875 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.144 10.505 0.085 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -6.318 11.654 0.696 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -5.071 11.800 2.839 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -3.905 10.633 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -3.100 12.887 1.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -3.315 12.170 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.445 13.300 1.038 1.00 0.00 H new ATOM 979 N THR B 7 -10.733 8.102 0.917 1.00 0.00 N ATOM 980 CA THR B 7 -11.951 7.875 0.155 1.00 0.00 C ATOM 981 C THR B 7 -11.996 8.789 -1.063 1.00 0.00 C ATOM 982 O THR B 7 -11.423 9.878 -1.050 1.00 0.00 O ATOM 983 CB THR B 7 -13.203 8.106 1.022 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.189 7.220 2.149 1.00 0.00 O ATOM 985 CG2 THR B 7 -14.471 7.881 0.216 1.00 0.00 C ATOM 0 H THR B 7 -10.883 8.512 1.839 1.00 0.00 H new ATOM 0 HA THR B 7 -11.945 6.836 -0.174 1.00 0.00 H new ATOM 0 HB THR B 7 -13.189 9.139 1.369 1.00 0.00 H new ATOM 0 HG1 THR B 7 -12.828 7.690 2.930 1.00 0.00 H new ATOM 0 HG21 THR B 7 -15.341 8.050 0.851 1.00 0.00 H new ATOM 0 HG22 THR B 7 -14.495 8.574 -0.625 1.00 0.00 H new ATOM 0 HG23 THR B 7 -14.488 6.857 -0.157 1.00 0.00 H new ATOM 993 N LEU B 8 -12.668 8.337 -2.118 1.00 0.00 N ATOM 994 CA LEU B 8 -12.771 9.116 -3.347 1.00 0.00 C ATOM 995 C LEU B 8 -13.150 10.562 -3.038 1.00 0.00 C ATOM 996 O LEU B 8 -12.601 11.496 -3.623 1.00 0.00 O ATOM 997 CB LEU B 8 -13.800 8.502 -4.306 1.00 0.00 C ATOM 998 CG LEU B 8 -13.674 6.991 -4.547 1.00 0.00 C ATOM 999 CD1 LEU B 8 -12.217 6.558 -4.592 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -14.435 6.222 -3.487 1.00 0.00 C ATOM 0 H LEU B 8 -13.148 7.437 -2.146 1.00 0.00 H new ATOM 0 HA LEU B 8 -11.794 9.101 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -14.798 8.706 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -13.722 9.011 -5.267 1.00 0.00 H new ATOM 0 HG LEU B 8 -14.113 6.766 -5.519 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -12.162 5.483 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -11.707 7.081 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -11.736 6.799 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -14.336 5.152 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -14.029 6.459 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -15.488 6.500 -3.522 1.00 0.00 H new ATOM 1012 N THR B 9 -14.089 10.739 -2.112 1.00 0.00 N ATOM 1013 CA THR B 9 -14.536 12.070 -1.723 1.00 0.00 C ATOM 1014 C THR B 9 -13.515 12.760 -0.823 1.00 0.00 C ATOM 1015 O THR B 9 -13.199 13.934 -1.016 1.00 0.00 O ATOM 1016 CB THR B 9 -15.890 12.013 -0.988 1.00 0.00 C ATOM 1017 OG1 THR B 9 -15.775 11.207 0.190 1.00 0.00 O ATOM 1018 CG2 THR B 9 -16.973 11.447 -1.892 1.00 0.00 C ATOM 0 H THR B 9 -14.554 9.977 -1.618 1.00 0.00 H new ATOM 0 HA THR B 9 -14.648 12.643 -2.643 1.00 0.00 H new ATOM 0 HB THR B 9 -16.168 13.029 -0.707 1.00 0.00 H new ATOM 0 HG1 THR B 9 -16.639 11.177 0.652 1.00 0.00 H new ATOM 0 HG21 THR B 9 -17.919 11.417 -1.351 1.00 0.00 H new ATOM 0 HG22 THR B 9 -17.079 12.080 -2.773 1.00 0.00 H new ATOM 0 HG23 THR B 9 -16.699 10.438 -2.201 1.00 0.00 H new ATOM 1026 N GLY B 10 -13.003 12.027 0.164 1.00 0.00 N ATOM 1027 CA GLY B 10 -12.026 12.596 1.077 1.00 0.00 C ATOM 1028 C GLY B 10 -11.988 11.887 2.419 1.00 0.00 C ATOM 1029 O GLY B 10 -10.944 11.840 3.071 1.00 0.00 O ATOM 0 H GLY B 10 -13.246 11.053 0.347 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -11.038 12.549 0.619 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -12.255 13.650 1.235 1.00 0.00 H new ATOM 1033 N LYS B 11 -13.133 11.350 2.837 1.00 0.00 N ATOM 1034 CA LYS B 11 -13.242 10.653 4.118 1.00 0.00 C ATOM 1035 C LYS B 11 -12.076 9.692 4.340 1.00 0.00 C ATOM 1036 O LYS B 11 -11.702 8.935 3.447 1.00 0.00 O ATOM 1037 CB LYS B 11 -14.559 9.880 4.194 1.00 0.00 C ATOM 1038 CG LYS B 11 -14.735 9.110 5.495 1.00 0.00 C ATOM 1039 CD LYS B 11 -15.995 8.257 5.482 1.00 0.00 C ATOM 1040 CE LYS B 11 -17.246 9.107 5.329 1.00 0.00 C ATOM 1041 NZ LYS B 11 -17.392 10.089 6.438 1.00 0.00 N ATOM 0 H LYS B 11 -14.002 11.385 2.305 1.00 0.00 H new ATOM 0 HA LYS B 11 -13.215 11.410 4.901 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -15.388 10.578 4.079 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -14.611 9.183 3.358 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -13.866 8.472 5.660 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -14.779 9.811 6.329 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -15.940 7.539 4.664 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -16.056 7.683 6.406 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -17.210 9.637 4.377 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -18.123 8.460 5.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -18.351 10.491 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -17.232 9.611 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -16.695 10.852 6.320 1.00 0.00 H new ATOM 1055 N THR B 12 -11.515 9.729 5.542 1.00 0.00 N ATOM 1056 CA THR B 12 -10.399 8.861 5.898 1.00 0.00 C ATOM 1057 C THR B 12 -10.888 7.460 6.255 1.00 0.00 C ATOM 1058 O THR B 12 -11.946 7.301 6.864 1.00 0.00 O ATOM 1059 CB THR B 12 -9.612 9.427 7.093 1.00 0.00 C ATOM 1060 OG1 THR B 12 -9.205 10.773 6.821 1.00 0.00 O ATOM 1061 CG2 THR B 12 -8.387 8.575 7.392 1.00 0.00 C ATOM 0 H THR B 12 -11.816 10.354 6.290 1.00 0.00 H new ATOM 0 HA THR B 12 -9.746 8.810 5.027 1.00 0.00 H new ATOM 0 HB THR B 12 -10.266 9.413 7.965 1.00 0.00 H new ATOM 0 HG1 THR B 12 -8.706 11.125 7.588 1.00 0.00 H new ATOM 0 HG21 THR B 12 -7.849 8.997 8.241 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.700 7.558 7.630 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.734 8.559 6.520 1.00 0.00 H new ATOM 1069 N ILE B 13 -10.108 6.451 5.886 1.00 0.00 N ATOM 1070 CA ILE B 13 -10.463 5.067 6.184 1.00 0.00 C ATOM 1071 C ILE B 13 -9.230 4.245 6.534 1.00 0.00 C ATOM 1072 O ILE B 13 -8.193 4.342 5.878 1.00 0.00 O ATOM 1073 CB ILE B 13 -11.221 4.401 5.021 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -10.623 4.811 3.675 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -12.695 4.762 5.089 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -11.268 4.124 2.490 1.00 0.00 C ATOM 0 H ILE B 13 -9.229 6.563 5.382 1.00 0.00 H new ATOM 0 HA ILE B 13 -11.127 5.096 7.048 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.121 3.320 5.114 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -10.722 5.890 3.557 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.556 4.587 3.678 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.224 4.287 4.263 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -13.111 4.415 6.034 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.808 5.844 5.018 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -10.793 4.464 1.570 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -11.146 3.045 2.584 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.330 4.368 2.462 1.00 0.00 H new ATOM 1088 N THR B 14 -9.351 3.450 7.594 1.00 0.00 N ATOM 1089 CA THR B 14 -8.250 2.622 8.067 1.00 0.00 C ATOM 1090 C THR B 14 -8.746 1.244 8.500 1.00 0.00 C ATOM 1091 O THR B 14 -9.818 1.120 9.092 1.00 0.00 O ATOM 1092 CB THR B 14 -7.541 3.301 9.254 1.00 0.00 C ATOM 1093 OG1 THR B 14 -7.352 4.693 8.977 1.00 0.00 O ATOM 1094 CG2 THR B 14 -6.194 2.659 9.520 1.00 0.00 C ATOM 0 H THR B 14 -10.206 3.363 8.143 1.00 0.00 H new ATOM 0 HA THR B 14 -7.548 2.501 7.242 1.00 0.00 H new ATOM 0 HB THR B 14 -8.169 3.180 10.137 1.00 0.00 H new ATOM 0 HG1 THR B 14 -6.902 5.119 9.736 1.00 0.00 H new ATOM 0 HG21 THR B 14 -5.714 3.157 10.363 1.00 0.00 H new ATOM 0 HG22 THR B 14 -6.334 1.604 9.753 1.00 0.00 H new ATOM 0 HG23 THR B 14 -5.564 2.755 8.635 1.00 0.00 H new ATOM 1102 N LEU B 15 -7.959 0.211 8.206 1.00 0.00 N ATOM 1103 CA LEU B 15 -8.323 -1.155 8.575 1.00 0.00 C ATOM 1104 C LEU B 15 -7.084 -2.011 8.810 1.00 0.00 C ATOM 1105 O LEU B 15 -6.170 -2.043 7.987 1.00 0.00 O ATOM 1106 CB LEU B 15 -9.183 -1.810 7.491 1.00 0.00 C ATOM 1107 CG LEU B 15 -8.548 -1.858 6.102 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -9.027 -3.075 5.328 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -8.882 -0.592 5.338 1.00 0.00 C ATOM 0 H LEU B 15 -7.069 0.293 7.715 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.897 -1.092 9.500 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.418 -2.828 7.801 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -10.128 -1.271 7.423 1.00 0.00 H new ATOM 0 HG LEU B 15 -7.467 -1.933 6.221 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.561 -3.086 4.343 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -8.754 -3.981 5.869 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.110 -3.032 5.216 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.426 -0.633 4.349 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.964 -0.503 5.236 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.497 0.272 5.879 1.00 0.00 H new ATOM 1121 N GLU B 16 -7.072 -2.711 9.936 1.00 0.00 N ATOM 1122 CA GLU B 16 -5.960 -3.579 10.289 1.00 0.00 C ATOM 1123 C GLU B 16 -5.911 -4.802 9.377 1.00 0.00 C ATOM 1124 O GLU B 16 -6.927 -5.457 9.144 1.00 0.00 O ATOM 1125 CB GLU B 16 -6.088 -4.016 11.750 1.00 0.00 C ATOM 1126 CG GLU B 16 -7.413 -4.691 12.068 1.00 0.00 C ATOM 1127 CD GLU B 16 -7.520 -5.114 13.518 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -7.383 -4.244 14.403 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -7.746 -6.316 13.770 1.00 0.00 O ATOM 0 H GLU B 16 -7.825 -2.693 10.624 1.00 0.00 H new ATOM 0 HA GLU B 16 -5.032 -3.022 10.159 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -5.274 -4.701 11.989 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -5.970 -3.144 12.393 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -8.230 -4.009 11.832 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -7.533 -5.566 11.429 1.00 0.00 H new ATOM 1136 N VAL B 17 -4.720 -5.101 8.869 1.00 0.00 N ATOM 1137 CA VAL B 17 -4.520 -6.243 7.983 1.00 0.00 C ATOM 1138 C VAL B 17 -3.106 -6.793 8.126 1.00 0.00 C ATOM 1139 O VAL B 17 -2.140 -6.035 8.196 1.00 0.00 O ATOM 1140 CB VAL B 17 -4.766 -5.874 6.507 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -6.232 -5.584 6.257 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -3.918 -4.684 6.105 1.00 0.00 C ATOM 0 H VAL B 17 -3.873 -4.564 9.057 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.245 -7.002 8.278 1.00 0.00 H new ATOM 0 HB VAL B 17 -4.478 -6.729 5.895 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -6.378 -5.326 5.208 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.824 -6.466 6.500 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.550 -4.750 6.883 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.106 -4.440 5.060 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.173 -3.828 6.730 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.864 -4.928 6.236 1.00 0.00 H new ATOM 1152 N GLU B 18 -2.993 -8.113 8.176 1.00 0.00 N ATOM 1153 CA GLU B 18 -1.698 -8.764 8.322 1.00 0.00 C ATOM 1154 C GLU B 18 -0.853 -8.605 7.060 1.00 0.00 C ATOM 1155 O GLU B 18 -1.359 -8.722 5.945 1.00 0.00 O ATOM 1156 CB GLU B 18 -1.886 -10.247 8.643 1.00 0.00 C ATOM 1157 CG GLU B 18 -2.752 -10.493 9.867 1.00 0.00 C ATOM 1158 CD GLU B 18 -2.932 -11.967 10.170 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -3.465 -12.690 9.302 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -2.540 -12.399 11.275 1.00 0.00 O ATOM 0 H GLU B 18 -3.783 -8.755 8.118 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.171 -8.283 9.146 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -2.336 -10.743 7.783 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.909 -10.704 8.800 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.302 -10.001 10.730 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -3.730 -10.036 9.713 1.00 0.00 H new ATOM 1167 N PRO B 19 0.456 -8.341 7.225 1.00 0.00 N ATOM 1168 CA PRO B 19 1.386 -8.172 6.103 1.00 0.00 C ATOM 1169 C PRO B 19 1.324 -9.334 5.123 1.00 0.00 C ATOM 1170 O PRO B 19 1.466 -9.155 3.914 1.00 0.00 O ATOM 1171 CB PRO B 19 2.768 -8.136 6.769 1.00 0.00 C ATOM 1172 CG PRO B 19 2.550 -8.568 8.182 1.00 0.00 C ATOM 1173 CD PRO B 19 1.139 -8.191 8.516 1.00 0.00 C ATOM 0 HA PRO B 19 1.150 -7.279 5.524 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.465 -8.802 6.260 1.00 0.00 H new ATOM 0 HB3 PRO B 19 3.196 -7.134 6.728 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.703 -9.642 8.290 1.00 0.00 H new ATOM 0 HG3 PRO B 19 3.254 -8.077 8.853 1.00 0.00 H new ATOM 0 HD2 PRO B 19 0.714 -8.844 9.278 1.00 0.00 H new ATOM 0 HD3 PRO B 19 1.070 -7.171 8.895 1.00 0.00 H new ATOM 1181 N SER B 20 1.123 -10.526 5.664 1.00 0.00 N ATOM 1182 CA SER B 20 1.052 -11.736 4.863 1.00 0.00 C ATOM 1183 C SER B 20 -0.144 -11.699 3.921 1.00 0.00 C ATOM 1184 O SER B 20 -0.092 -12.238 2.815 1.00 0.00 O ATOM 1185 CB SER B 20 0.974 -12.954 5.777 1.00 0.00 C ATOM 1186 OG SER B 20 0.918 -14.156 5.029 1.00 0.00 O ATOM 0 H SER B 20 1.005 -10.680 6.665 1.00 0.00 H new ATOM 0 HA SER B 20 1.953 -11.803 4.254 1.00 0.00 H new ATOM 0 HB2 SER B 20 1.842 -12.973 6.436 1.00 0.00 H new ATOM 0 HB3 SER B 20 0.092 -12.878 6.414 1.00 0.00 H new ATOM 0 HG SER B 20 0.870 -14.920 5.641 1.00 0.00 H new ATOM 1192 N ASP B 21 -1.222 -11.058 4.362 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.427 -10.950 3.551 1.00 0.00 C ATOM 1194 C ASP B 21 -2.115 -10.318 2.197 1.00 0.00 C ATOM 1195 O ASP B 21 -1.431 -9.297 2.119 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.493 -10.131 4.281 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.054 -10.854 5.489 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -4.562 -11.983 5.322 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -3.995 -10.288 6.600 1.00 0.00 O ATOM 0 H ASP B 21 -1.285 -10.607 5.275 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.812 -11.956 3.382 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -3.063 -9.181 4.598 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -4.304 -9.899 3.591 1.00 0.00 H new ATOM 1204 N THR B 22 -2.619 -10.939 1.136 1.00 0.00 N ATOM 1205 CA THR B 22 -2.397 -10.452 -0.221 1.00 0.00 C ATOM 1206 C THR B 22 -2.930 -9.037 -0.405 1.00 0.00 C ATOM 1207 O THR B 22 -3.918 -8.648 0.217 1.00 0.00 O ATOM 1208 CB THR B 22 -3.058 -11.374 -1.261 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.461 -11.484 -0.998 1.00 0.00 O ATOM 1210 CG2 THR B 22 -2.421 -12.753 -1.239 1.00 0.00 C ATOM 0 H THR B 22 -3.187 -11.785 1.190 1.00 0.00 H new ATOM 0 HA THR B 22 -1.318 -10.447 -0.376 1.00 0.00 H new ATOM 0 HB THR B 22 -2.910 -10.938 -2.249 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.874 -12.071 -1.665 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.903 -13.388 -1.982 1.00 0.00 H new ATOM 0 HG22 THR B 22 -1.359 -12.667 -1.470 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.543 -13.194 -0.250 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.268 -8.273 -1.270 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.674 -6.899 -1.548 1.00 0.00 C ATOM 1220 C ILE B 23 -4.137 -6.845 -1.975 1.00 0.00 C ATOM 1221 O ILE B 23 -4.864 -5.917 -1.626 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.799 -6.260 -2.647 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.327 -6.255 -2.222 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.274 -4.846 -2.946 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.602 -5.641 -3.250 1.00 0.00 C ATOM 0 H ILE B 23 -1.447 -8.583 -1.791 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.543 -6.333 -0.626 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.892 -6.854 -3.556 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.230 -5.707 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -0.011 -7.280 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.647 -4.408 -3.723 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.309 -4.874 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.207 -4.241 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.627 -5.673 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.536 -6.203 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.313 -4.605 -3.429 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.565 -7.851 -2.729 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.943 -7.924 -3.196 1.00 0.00 C ATOM 1239 C GLU B 24 -6.900 -8.151 -2.027 1.00 0.00 C ATOM 1240 O GLU B 24 -8.048 -7.705 -2.056 1.00 0.00 O ATOM 1241 CB GLU B 24 -6.097 -9.045 -4.227 1.00 0.00 C ATOM 1242 CG GLU B 24 -5.720 -10.418 -3.695 1.00 0.00 C ATOM 1243 CD GLU B 24 -5.873 -11.512 -4.735 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -6.273 -11.196 -5.876 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -5.592 -12.684 -4.409 1.00 0.00 O ATOM 0 H GLU B 24 -3.976 -8.628 -3.030 1.00 0.00 H new ATOM 0 HA GLU B 24 -6.193 -6.974 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -7.130 -9.070 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -5.476 -8.818 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -4.688 -10.397 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -6.344 -10.653 -2.833 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.417 -8.850 -1.004 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.224 -9.144 0.178 1.00 0.00 C ATOM 1254 C ASN B 25 -7.559 -7.871 0.942 1.00 0.00 C ATOM 1255 O ASN B 25 -8.721 -7.608 1.255 1.00 0.00 O ATOM 1256 CB ASN B 25 -6.476 -10.110 1.100 1.00 0.00 C ATOM 1257 CG ASN B 25 -7.279 -10.480 2.334 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -7.745 -9.612 3.071 1.00 0.00 O ATOM 1259 ND2 ASN B 25 -7.431 -11.775 2.574 1.00 0.00 N ATOM 0 H ASN B 25 -5.469 -9.224 -0.969 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.154 -9.604 -0.157 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -6.229 -11.016 0.547 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -5.533 -9.657 1.407 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -7.951 -12.084 3.396 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -7.028 -12.462 1.937 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.530 -7.088 1.251 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.708 -5.849 1.991 1.00 0.00 C ATOM 1268 C VAL B 26 -7.657 -4.901 1.263 1.00 0.00 C ATOM 1269 O VAL B 26 -8.486 -4.238 1.886 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.360 -5.145 2.239 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -4.414 -6.064 2.993 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.734 -4.681 0.934 1.00 0.00 C ATOM 0 H VAL B 26 -5.563 -7.293 0.999 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.146 -6.113 2.954 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.546 -4.262 2.850 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.466 -5.552 3.161 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.856 -6.333 3.952 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.240 -6.967 2.408 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.784 -4.188 1.141 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.563 -5.541 0.287 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.405 -3.981 0.437 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.533 -4.847 -0.059 1.00 0.00 N ATOM 1283 CA LYS B 27 -8.382 -3.986 -0.875 1.00 0.00 C ATOM 1284 C LYS B 27 -9.832 -4.457 -0.842 1.00 0.00 C ATOM 1285 O LYS B 27 -10.758 -3.645 -0.826 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.882 -3.960 -2.318 1.00 0.00 C ATOM 1287 CG LYS B 27 -6.494 -3.364 -2.475 1.00 0.00 C ATOM 1288 CD LYS B 27 -6.052 -3.372 -3.929 1.00 0.00 C ATOM 1289 CE LYS B 27 -4.698 -2.709 -4.105 1.00 0.00 C ATOM 1290 NZ LYS B 27 -4.255 -2.720 -5.528 1.00 0.00 N ATOM 0 H LYS B 27 -6.852 -5.390 -0.589 1.00 0.00 H new ATOM 0 HA LYS B 27 -8.335 -2.979 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.877 -4.977 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -8.584 -3.388 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.490 -2.342 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.783 -3.929 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -6.004 -4.399 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -6.793 -2.854 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.748 -1.680 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -3.959 -3.224 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -3.289 -3.101 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.898 -3.316 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.268 -1.750 -5.903 1.00 0.00 H new ATOM 1304 N ALA B 28 -10.022 -5.774 -0.841 1.00 0.00 N ATOM 1305 CA ALA B 28 -11.358 -6.358 -0.819 1.00 0.00 C ATOM 1306 C ALA B 28 -12.207 -5.758 0.297 1.00 0.00 C ATOM 1307 O ALA B 28 -13.392 -5.479 0.106 1.00 0.00 O ATOM 1308 CB ALA B 28 -11.269 -7.869 -0.665 1.00 0.00 C ATOM 0 H ALA B 28 -9.265 -6.457 -0.855 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.843 -6.127 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -12.273 -8.293 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.711 -8.288 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.759 -8.110 0.268 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.594 -5.552 1.458 1.00 0.00 N ATOM 1315 CA LYS B 29 -12.290 -4.974 2.597 1.00 0.00 C ATOM 1316 C LYS B 29 -12.625 -3.524 2.306 1.00 0.00 C ATOM 1317 O LYS B 29 -13.711 -3.050 2.627 1.00 0.00 O ATOM 1318 CB LYS B 29 -11.423 -5.067 3.852 1.00 0.00 C ATOM 1319 CG LYS B 29 -10.775 -6.427 4.037 1.00 0.00 C ATOM 1320 CD LYS B 29 -9.930 -6.476 5.301 1.00 0.00 C ATOM 1321 CE LYS B 29 -9.278 -7.837 5.483 1.00 0.00 C ATOM 1322 NZ LYS B 29 -8.451 -7.896 6.720 1.00 0.00 N ATOM 0 H LYS B 29 -10.615 -5.778 1.633 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.211 -5.530 2.769 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.645 -4.305 3.804 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.035 -4.843 4.725 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.547 -7.195 4.084 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.151 -6.654 3.172 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.160 -5.706 5.255 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.554 -6.252 6.166 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.049 -8.606 5.525 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -8.653 -8.059 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -7.489 -8.209 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -8.410 -6.952 7.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.876 -8.568 7.390 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.679 -2.833 1.680 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.862 -1.438 1.318 1.00 0.00 C ATOM 1338 C ILE B 30 -13.135 -1.271 0.495 1.00 0.00 C ATOM 1339 O ILE B 30 -13.858 -0.286 0.641 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.654 -0.909 0.521 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.382 -0.993 1.370 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -10.904 0.522 0.061 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -8.136 -0.523 0.649 1.00 0.00 C ATOM 0 H ILE B 30 -10.774 -3.221 1.413 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.948 -0.860 2.238 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.519 -1.531 -0.364 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.517 -0.395 2.271 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -9.238 -2.025 1.691 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -10.041 0.880 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.788 0.550 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -11.062 1.161 0.930 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -7.276 -0.612 1.313 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -7.975 -1.137 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -8.259 0.518 0.352 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.412 -2.258 -0.355 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.609 -2.240 -1.183 1.00 0.00 C ATOM 1357 C GLN B 31 -15.839 -2.292 -0.291 1.00 0.00 C ATOM 1358 O GLN B 31 -16.798 -1.549 -0.480 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.614 -3.429 -2.145 1.00 0.00 C ATOM 1360 CG GLN B 31 -13.393 -3.490 -3.048 1.00 0.00 C ATOM 1361 CD GLN B 31 -13.412 -4.692 -3.971 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -12.402 -5.545 -3.852 1.00 0.00 O flip ATOM 1363 NE2 GLN B 31 -14.324 -4.852 -4.782 1.00 0.00 N flip ATOM 0 H GLN B 31 -12.821 -3.079 -0.486 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.620 -1.322 -1.770 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -14.674 -4.352 -1.568 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -15.510 -3.381 -2.764 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.340 -2.579 -3.644 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -12.493 -3.522 -2.434 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -15.081 -4.171 -4.839 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -14.323 -5.666 -5.397 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.788 -3.172 0.700 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.879 -3.320 1.646 1.00 0.00 C ATOM 1374 C ASP B 32 -16.989 -2.062 2.502 1.00 0.00 C ATOM 1375 O ASP B 32 -18.075 -1.666 2.925 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.648 -4.545 2.535 1.00 0.00 C ATOM 1377 CG ASP B 32 -17.813 -4.824 3.469 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -18.806 -4.070 3.427 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -17.729 -5.801 4.241 1.00 0.00 O ATOM 0 H ASP B 32 -14.998 -3.795 0.868 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.810 -3.462 1.097 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -16.476 -5.418 1.905 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -15.744 -4.395 3.125 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.839 -1.448 2.748 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.751 -0.238 3.553 1.00 0.00 C ATOM 1386 C LYS B 33 -16.343 0.973 2.836 1.00 0.00 C ATOM 1387 O LYS B 33 -16.888 1.871 3.477 1.00 0.00 O ATOM 1388 CB LYS B 33 -14.291 0.026 3.932 1.00 0.00 C ATOM 1389 CG LYS B 33 -13.725 -1.004 4.898 1.00 0.00 C ATOM 1390 CD LYS B 33 -12.304 -0.664 5.316 1.00 0.00 C ATOM 1391 CE LYS B 33 -12.249 0.622 6.124 1.00 0.00 C ATOM 1392 NZ LYS B 33 -13.056 0.528 7.371 1.00 0.00 N ATOM 0 H LYS B 33 -14.940 -1.776 2.394 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.340 -0.395 4.457 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.684 0.037 3.027 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -14.213 1.016 4.380 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -14.360 -1.061 5.782 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -13.741 -1.988 4.430 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -11.892 -1.483 5.906 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -11.678 -0.564 4.429 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.213 0.847 6.378 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -12.615 1.449 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -12.798 1.306 8.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -14.067 0.593 7.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -12.867 -0.381 7.839 1.00 0.00 H new ATOM 1406 N GLU B 34 -16.231 1.003 1.511 1.00 0.00 N ATOM 1407 CA GLU B 34 -16.760 2.125 0.736 1.00 0.00 C ATOM 1408 C GLU B 34 -17.461 1.652 -0.534 1.00 0.00 C ATOM 1409 O GLU B 34 -18.624 1.980 -0.766 1.00 0.00 O ATOM 1410 CB GLU B 34 -15.632 3.096 0.375 1.00 0.00 C ATOM 1411 CG GLU B 34 -14.928 3.697 1.583 1.00 0.00 C ATOM 1412 CD GLU B 34 -15.839 4.575 2.421 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -17.016 4.750 2.042 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -15.371 5.091 3.459 1.00 0.00 O ATOM 0 H GLU B 34 -15.785 0.273 0.955 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.496 2.636 1.356 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -14.898 2.574 -0.239 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -16.041 3.902 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -14.534 2.893 2.205 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -14.075 4.285 1.245 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.752 0.883 -1.354 1.00 0.00 N ATOM 1422 CA GLY B 35 -17.337 0.386 -2.587 1.00 0.00 C ATOM 1423 C GLY B 35 -16.569 0.828 -3.816 1.00 0.00 C ATOM 1424 O GLY B 35 -17.139 1.425 -4.730 1.00 0.00 O ATOM 0 H GLY B 35 -15.787 0.596 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.370 -0.703 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -18.367 0.734 -2.662 1.00 0.00 H new ATOM 1428 N ILE B 36 -15.273 0.539 -3.838 1.00 0.00 N ATOM 1429 CA ILE B 36 -14.427 0.917 -4.964 1.00 0.00 C ATOM 1430 C ILE B 36 -13.511 -0.232 -5.371 1.00 0.00 C ATOM 1431 O ILE B 36 -12.910 -0.884 -4.520 1.00 0.00 O ATOM 1432 CB ILE B 36 -13.550 2.144 -4.640 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -13.951 2.778 -3.305 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.638 3.163 -5.760 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -13.477 1.999 -2.099 1.00 0.00 C ATOM 0 H ILE B 36 -14.786 0.045 -3.090 1.00 0.00 H new ATOM 0 HA ILE B 36 -15.102 1.166 -5.783 1.00 0.00 H new ATOM 0 HB ILE B 36 -12.517 1.806 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -13.546 3.789 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -15.037 2.867 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.014 4.024 -5.519 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.291 2.713 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.672 3.486 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -13.797 2.507 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.903 0.996 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.389 1.932 -2.114 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.387 -0.492 -6.687 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.532 -1.566 -7.199 1.00 0.00 C ATOM 1449 C PRO B 37 -11.126 -1.510 -6.607 1.00 0.00 C ATOM 1450 O PRO B 37 -10.546 -0.433 -6.464 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.493 -1.298 -8.703 1.00 0.00 C ATOM 1452 CG PRO B 37 -13.770 -0.589 -8.992 1.00 0.00 C ATOM 1453 CD PRO B 37 -14.067 0.240 -7.773 1.00 0.00 C ATOM 0 HA PRO B 37 -12.912 -2.555 -6.941 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.631 -0.689 -8.975 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -12.418 -2.226 -9.269 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -13.676 0.039 -9.878 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -14.575 -1.298 -9.188 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.684 1.255 -7.875 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -15.139 0.321 -7.593 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.558 -2.675 -6.251 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.214 -2.759 -5.666 1.00 0.00 C ATOM 1463 C PRO B 38 -8.145 -2.156 -6.571 1.00 0.00 C ATOM 1464 O PRO B 38 -7.180 -1.558 -6.097 1.00 0.00 O ATOM 1465 CB PRO B 38 -8.981 -4.266 -5.493 1.00 0.00 C ATOM 1466 CG PRO B 38 -9.995 -4.925 -6.364 1.00 0.00 C ATOM 1467 CD PRO B 38 -11.177 -4.002 -6.387 1.00 0.00 C ATOM 0 HA PRO B 38 -9.148 -2.198 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -7.969 -4.544 -5.788 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.103 -4.566 -4.452 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.603 -5.084 -7.369 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.271 -5.904 -5.971 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.742 -4.091 -7.315 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -11.869 -4.211 -5.571 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.322 -2.323 -7.876 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.374 -1.804 -8.851 1.00 0.00 C ATOM 1477 C ASP B 39 -7.267 -0.287 -8.764 1.00 0.00 C ATOM 1478 O ASP B 39 -6.191 0.280 -8.956 1.00 0.00 O ATOM 1479 CB ASP B 39 -7.791 -2.212 -10.265 1.00 0.00 C ATOM 1480 CG ASP B 39 -6.814 -1.728 -11.319 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -5.642 -2.157 -11.282 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -7.220 -0.919 -12.179 1.00 0.00 O ATOM 0 H ASP B 39 -9.117 -2.816 -8.283 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.397 -2.231 -8.625 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -7.870 -3.298 -10.318 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -8.781 -1.809 -10.479 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.390 0.370 -8.487 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.414 1.822 -8.394 1.00 0.00 C ATOM 1489 C GLN B 40 -7.527 2.327 -7.256 1.00 0.00 C ATOM 1490 O GLN B 40 -6.777 3.288 -7.432 1.00 0.00 O ATOM 1491 CB GLN B 40 -9.847 2.319 -8.221 1.00 0.00 C ATOM 1492 CG GLN B 40 -10.756 1.926 -9.376 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.136 2.549 -9.289 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -12.342 3.406 -8.297 1.00 0.00 O flip ATOM 1495 NE2 GLN B 40 -13.008 2.269 -10.111 1.00 0.00 N flip ATOM 0 H GLN B 40 -9.291 -0.080 -8.324 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.013 2.223 -9.325 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.255 1.919 -7.293 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.840 3.405 -8.125 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.289 2.223 -10.315 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -10.855 0.841 -9.399 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.809 1.605 -10.859 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.930 2.701 -10.044 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.610 1.680 -6.097 1.00 0.00 N ATOM 1505 CA GLN B 41 -6.802 2.077 -4.945 1.00 0.00 C ATOM 1506 C GLN B 41 -5.323 2.126 -5.321 1.00 0.00 C ATOM 1507 O GLN B 41 -4.775 1.159 -5.848 1.00 0.00 O ATOM 1508 CB GLN B 41 -7.007 1.109 -3.775 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.354 1.244 -3.077 1.00 0.00 C ATOM 1510 CD GLN B 41 -9.533 0.928 -3.978 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -9.827 1.663 -4.920 1.00 0.00 O ATOM 1512 NE2 GLN B 41 -10.214 -0.175 -3.692 1.00 0.00 N ATOM 0 H GLN B 41 -8.224 0.883 -5.930 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.124 3.071 -4.636 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.902 0.088 -4.141 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.215 1.269 -3.044 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.376 0.578 -2.214 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -8.458 2.261 -2.698 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -9.935 -0.756 -2.901 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -11.016 -0.442 -4.263 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.684 3.263 -5.057 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.278 3.440 -5.379 1.00 0.00 C ATOM 1523 C ARG B 42 -2.381 3.090 -4.196 1.00 0.00 C ATOM 1524 O ARG B 42 -2.517 3.660 -3.116 1.00 0.00 O ATOM 1525 CB ARG B 42 -3.012 4.879 -5.828 1.00 0.00 C ATOM 1526 CG ARG B 42 -1.563 5.143 -6.204 1.00 0.00 C ATOM 1527 CD ARG B 42 -1.353 6.586 -6.638 1.00 0.00 C ATOM 1528 NE ARG B 42 -2.166 6.932 -7.801 1.00 0.00 N ATOM 1529 CZ ARG B 42 -2.161 8.132 -8.374 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -1.389 9.098 -7.892 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -2.929 8.368 -9.428 1.00 0.00 N ATOM 0 H ARG B 42 -5.122 4.074 -4.620 1.00 0.00 H new ATOM 0 HA ARG B 42 -3.040 2.758 -6.195 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.648 5.107 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.300 5.560 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -0.919 4.921 -5.353 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -1.268 4.473 -7.011 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -1.600 7.253 -5.812 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -0.300 6.745 -6.872 1.00 0.00 H new ATOM 0 HE ARG B 42 -2.772 6.213 -8.196 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -0.798 8.921 -7.080 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -1.387 10.017 -8.334 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -3.525 7.629 -9.801 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -2.924 9.289 -9.867 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.453 2.161 -4.415 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.523 1.746 -3.368 1.00 0.00 C ATOM 1547 C LEU B 43 0.542 2.807 -3.131 1.00 0.00 C ATOM 1548 O LEU B 43 1.145 3.318 -4.075 1.00 0.00 O ATOM 1549 CB LEU B 43 0.138 0.412 -3.727 1.00 0.00 C ATOM 1550 CG LEU B 43 -0.744 -0.824 -3.533 1.00 0.00 C ATOM 1551 CD1 LEU B 43 -2.003 -0.725 -4.378 1.00 0.00 C ATOM 1552 CD2 LEU B 43 0.024 -2.092 -3.868 1.00 0.00 C ATOM 0 H LEU B 43 -1.325 1.682 -5.307 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.095 1.619 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.457 0.451 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.037 0.296 -3.122 1.00 0.00 H new ATOM 0 HG LEU B 43 -1.038 -0.868 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.615 -1.614 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.569 0.160 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.730 -0.650 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.622 -2.958 -3.723 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.353 -2.055 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.893 -2.174 -3.215 1.00 0.00 H new ATOM 1564 N ILE B 44 0.769 3.130 -1.863 1.00 0.00 N ATOM 1565 CA ILE B 44 1.763 4.128 -1.493 1.00 0.00 C ATOM 1566 C ILE B 44 2.468 3.734 -0.200 1.00 0.00 C ATOM 1567 O ILE B 44 1.825 3.325 0.766 1.00 0.00 O ATOM 1568 CB ILE B 44 1.124 5.519 -1.327 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.465 5.951 -2.638 1.00 0.00 C ATOM 1570 CG2 ILE B 44 2.169 6.536 -0.888 1.00 0.00 C ATOM 1571 CD1 ILE B 44 -0.277 7.263 -2.544 1.00 0.00 C ATOM 0 H ILE B 44 0.276 2.714 -1.073 1.00 0.00 H new ATOM 0 HA ILE B 44 2.494 4.174 -2.301 1.00 0.00 H new ATOM 0 HB ILE B 44 0.358 5.465 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.231 6.032 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.229 5.174 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.700 7.514 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.599 6.228 0.065 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.957 6.596 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.717 7.502 -3.512 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.066 7.182 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.416 8.053 -2.255 1.00 0.00 H new ATOM 1583 N PHE B 45 3.793 3.851 -0.193 1.00 0.00 N ATOM 1584 CA PHE B 45 4.592 3.499 0.978 1.00 0.00 C ATOM 1585 C PHE B 45 5.530 4.641 1.353 1.00 0.00 C ATOM 1586 O PHE B 45 6.049 5.339 0.483 1.00 0.00 O ATOM 1587 CB PHE B 45 5.407 2.228 0.716 1.00 0.00 C ATOM 1588 CG PHE B 45 4.576 1.006 0.440 1.00 0.00 C ATOM 1589 CD1 PHE B 45 3.802 0.917 -0.707 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.568 -0.055 1.330 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.038 -0.206 -0.960 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.806 -1.180 1.083 1.00 0.00 C ATOM 1593 CZ PHE B 45 3.040 -1.256 -0.063 1.00 0.00 C ATOM 0 H PHE B 45 4.338 4.188 -0.987 1.00 0.00 H new ATOM 0 HA PHE B 45 3.908 3.316 1.807 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.068 2.403 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE B 45 6.042 2.033 1.580 1.00 0.00 H new ATOM 0 HD1 PHE B 45 3.796 1.736 -1.411 1.00 0.00 H new ATOM 0 HD2 PHE B 45 5.165 -0.002 2.228 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.440 -0.263 -1.858 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.809 -2.000 1.786 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.443 -2.135 -0.258 1.00 0.00 H new ATOM 1603 N ALA B 46 5.747 4.830 2.653 1.00 0.00 N ATOM 1604 CA ALA B 46 6.630 5.894 3.126 1.00 0.00 C ATOM 1605 C ALA B 46 7.251 5.544 4.473 1.00 0.00 C ATOM 1606 O ALA B 46 6.560 5.115 5.396 1.00 0.00 O ATOM 1607 CB ALA B 46 5.865 7.205 3.221 1.00 0.00 C ATOM 0 H ALA B 46 5.328 4.266 3.392 1.00 0.00 H new ATOM 0 HA ALA B 46 7.440 6.005 2.405 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.532 7.991 3.574 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.478 7.473 2.238 1.00 0.00 H new ATOM 0 HB3 ALA B 46 5.035 7.092 3.919 1.00 0.00 H new ATOM 1613 N GLY B 47 8.564 5.732 4.575 1.00 0.00 N ATOM 1614 CA GLY B 47 9.267 5.433 5.809 1.00 0.00 C ATOM 1615 C GLY B 47 8.719 6.203 6.994 1.00 0.00 C ATOM 1616 O GLY B 47 8.449 7.400 6.893 1.00 0.00 O ATOM 0 H GLY B 47 9.154 6.087 3.823 1.00 0.00 H new ATOM 0 HA2 GLY B 47 9.198 4.364 6.012 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.324 5.667 5.686 1.00 0.00 H new