USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.61) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.129 USER MOD Set 2.2: C 21 THR OG1 : rot -73:sc= 0.129 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0.138 USER MOD Set 3.2: A 21 THR OG1 : rot -74:sc= 0.139 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.849 K(o=-0.85,f=-1.5) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.033 (180deg=-0.23) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0522 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.023 (180deg=-0.268) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.42) USER MOD Single : A 29 GLN : amide:sc= -0.0477 K(o=-0.048,f=-0.61) USER MOD Single : A 35 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= -0.0626 (180deg=-0.265) USER MOD Single : A 43 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-2) USER MOD Single : A 48 TYR OH : rot -22:sc= 0.569 USER MOD Single : C 1 MET CE :methyl -127:sc= -0.0746 (180deg=-0.22) USER MOD Single : C 1 MET N :NH3+ 137:sc= 0.046 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.945) USER MOD Single : C 26 SER OG : rot 42:sc= 0.297 USER MOD Single : C 28 GLN : amide:sc= -0.817 X(o=-0.82,f=-0.85) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 35 ASN : amide:sc= -0.0513 K(o=-0.051,f=-2) USER MOD Single : C 38 LYS NZ :NH3+ 156:sc= -0.0823 (180deg=-0.409) USER MOD Single : C 43 HIS : no HE2:sc= -0.982 K(o=-0.98,f=-1.9) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.405 10.018 -3.178 1.00 0.00 N ATOM 2 CA MET A 1 -7.422 8.930 -3.340 1.00 0.00 C ATOM 3 C MET A 1 -6.212 9.403 -4.134 1.00 0.00 C ATOM 4 O MET A 1 -6.330 10.306 -4.960 1.00 0.00 O ATOM 5 CB MET A 1 -8.045 7.740 -4.071 1.00 0.00 C ATOM 6 CG MET A 1 -7.168 6.491 -4.052 1.00 0.00 C ATOM 7 SD MET A 1 -7.580 5.311 -2.753 1.00 0.00 S ATOM 8 CE MET A 1 -9.019 4.661 -3.625 1.00 0.00 C ATOM 0 H1 MET A 1 -9.351 9.672 -3.436 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.411 10.336 -2.188 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.147 10.814 -3.796 1.00 0.00 H new ATOM 0 HA MET A 1 -7.109 8.627 -2.341 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.007 7.506 -3.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.242 8.021 -5.106 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.247 5.992 -5.018 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.128 6.794 -3.934 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.894 4.720 -2.978 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.194 5.248 -4.526 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.840 3.621 -3.899 1.00 0.00 H new ATOM 20 N LEU A 2 -5.057 8.791 -3.881 1.00 0.00 N ATOM 21 CA LEU A 2 -3.847 9.000 -4.649 1.00 0.00 C ATOM 22 C LEU A 2 -3.349 7.621 -5.090 1.00 0.00 C ATOM 23 O LEU A 2 -2.812 6.864 -4.282 1.00 0.00 O ATOM 24 CB LEU A 2 -2.862 9.794 -3.781 1.00 0.00 C ATOM 25 CG LEU A 2 -1.575 10.238 -4.482 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.517 9.140 -4.496 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.837 10.694 -5.917 1.00 0.00 C ATOM 0 H LEU A 2 -4.941 8.123 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.995 9.590 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.372 10.679 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.593 9.185 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.199 11.080 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.377 9.502 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.266 8.864 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.905 8.268 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.898 11.001 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.270 9.872 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.530 11.535 -5.911 1.00 0.00 H new ATOM 39 N ILE A 3 -3.540 7.303 -6.374 1.00 0.00 N ATOM 40 CA ILE A 3 -3.223 6.004 -6.949 1.00 0.00 C ATOM 41 C ILE A 3 -1.888 6.061 -7.686 1.00 0.00 C ATOM 42 O ILE A 3 -1.558 7.074 -8.305 1.00 0.00 O ATOM 43 CB ILE A 3 -4.326 5.575 -7.936 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.690 5.410 -7.261 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.954 4.226 -8.558 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.455 6.725 -7.225 1.00 0.00 C ATOM 0 H ILE A 3 -3.928 7.959 -7.052 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.158 5.279 -6.138 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.401 6.363 -8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.274 4.662 -7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.552 5.040 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.733 3.920 -9.257 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.007 4.319 -9.089 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.858 3.477 -7.772 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.419 6.572 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.881 7.465 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.614 7.081 -8.243 1.00 0.00 H new ATOM 58 N LEU A 4 -1.126 4.967 -7.616 1.00 0.00 N ATOM 59 CA LEU A 4 0.122 4.807 -8.343 1.00 0.00 C ATOM 60 C LEU A 4 0.525 3.334 -8.409 1.00 0.00 C ATOM 61 O LEU A 4 -0.122 2.490 -7.790 1.00 0.00 O ATOM 62 CB LEU A 4 1.208 5.693 -7.711 1.00 0.00 C ATOM 63 CG LEU A 4 1.218 5.717 -6.177 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.696 4.392 -5.587 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.168 6.827 -5.727 1.00 0.00 C ATOM 0 H LEU A 4 -1.368 4.159 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.010 5.136 -9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.182 5.351 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.080 6.713 -8.074 1.00 0.00 H new ATOM 0 HG LEU A 4 0.200 5.889 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.687 4.454 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.033 3.590 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.710 4.185 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.193 6.865 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.170 6.625 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.819 7.784 -6.116 1.00 0.00 H new ATOM 77 N THR A 5 1.587 3.011 -9.156 1.00 0.00 N ATOM 78 CA THR A 5 2.098 1.647 -9.230 1.00 0.00 C ATOM 79 C THR A 5 3.467 1.542 -8.577 1.00 0.00 C ATOM 80 O THR A 5 4.216 2.519 -8.513 1.00 0.00 O ATOM 81 CB THR A 5 2.265 1.164 -10.677 1.00 0.00 C ATOM 82 OG1 THR A 5 2.954 2.121 -11.447 1.00 0.00 O ATOM 83 CG2 THR A 5 0.953 0.818 -11.365 1.00 0.00 C ATOM 0 H THR A 5 2.108 3.683 -9.719 1.00 0.00 H new ATOM 0 HA THR A 5 1.362 1.031 -8.713 1.00 0.00 H new ATOM 0 HB THR A 5 2.844 0.243 -10.610 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.052 1.793 -12.365 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.153 0.485 -12.383 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.452 0.021 -10.814 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.312 1.699 -11.391 1.00 0.00 H new ATOM 91 N ARG A 6 3.773 0.331 -8.104 1.00 0.00 N ATOM 92 CA ARG A 6 5.072 -0.041 -7.566 1.00 0.00 C ATOM 93 C ARG A 6 5.352 -1.495 -7.921 1.00 0.00 C ATOM 94 O ARG A 6 4.445 -2.226 -8.312 1.00 0.00 O ATOM 95 CB ARG A 6 5.088 0.131 -6.043 1.00 0.00 C ATOM 96 CG ARG A 6 5.386 1.571 -5.605 1.00 0.00 C ATOM 97 CD ARG A 6 6.876 1.826 -5.369 1.00 0.00 C ATOM 98 NE ARG A 6 7.690 1.757 -6.595 1.00 0.00 N ATOM 99 CZ ARG A 6 8.870 2.372 -6.728 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.387 3.074 -5.721 1.00 0.00 N ATOM 101 NH2 ARG A 6 9.540 2.290 -7.873 1.00 0.00 N ATOM 0 H ARG A 6 3.100 -0.435 -8.087 1.00 0.00 H new ATOM 0 HA ARG A 6 5.839 0.603 -7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.123 -0.173 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.837 -0.535 -5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.021 2.260 -6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.836 1.788 -4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.000 2.810 -4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.252 1.096 -4.652 1.00 0.00 H new ATOM 0 HE ARG A 6 7.336 1.213 -7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.882 3.146 -4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.288 3.539 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.154 1.757 -8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.440 2.760 -7.972 1.00 0.00 H new ATOM 115 N LYS A 7 6.611 -1.907 -7.783 1.00 0.00 N ATOM 116 CA LYS A 7 7.039 -3.265 -8.078 1.00 0.00 C ATOM 117 C LYS A 7 7.358 -3.992 -6.778 1.00 0.00 C ATOM 118 O LYS A 7 7.730 -3.362 -5.789 1.00 0.00 O ATOM 119 CB LYS A 7 8.299 -3.212 -8.941 1.00 0.00 C ATOM 120 CG LYS A 7 8.020 -2.902 -10.407 1.00 0.00 C ATOM 121 CD LYS A 7 7.339 -4.095 -11.076 1.00 0.00 C ATOM 122 CE LYS A 7 7.323 -3.980 -12.598 1.00 0.00 C ATOM 123 NZ LYS A 7 8.681 -4.058 -13.164 1.00 0.00 N ATOM 0 H LYS A 7 7.365 -1.300 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 7 6.245 -3.793 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.973 -2.455 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.817 -4.169 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.385 -2.020 -10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.953 -2.670 -10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.855 -5.012 -10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.316 -4.177 -10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.708 -4.776 -13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.862 -3.036 -12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.622 -4.282 -14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.162 -3.145 -13.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.218 -4.802 -12.676 1.00 0.00 H new ATOM 137 N VAL A 8 7.211 -5.316 -6.781 1.00 0.00 N ATOM 138 CA VAL A 8 7.523 -6.129 -5.616 1.00 0.00 C ATOM 139 C VAL A 8 8.984 -5.938 -5.205 1.00 0.00 C ATOM 140 O VAL A 8 9.900 -6.298 -5.942 1.00 0.00 O ATOM 141 CB VAL A 8 7.165 -7.588 -5.863 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.641 -7.656 -5.869 1.00 0.00 C ATOM 143 CG2 VAL A 8 7.708 -8.146 -7.173 1.00 0.00 C ATOM 0 H VAL A 8 6.875 -5.847 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 8 6.912 -5.797 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 8 7.619 -8.198 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.323 -8.684 -6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.258 -7.316 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.251 -7.017 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.410 -9.190 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.307 -7.571 -8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.796 -8.077 -7.175 1.00 0.00 H new ATOM 153 N GLY A 9 9.197 -5.363 -4.017 1.00 0.00 N ATOM 154 CA GLY A 9 10.523 -5.087 -3.482 1.00 0.00 C ATOM 155 C GLY A 9 10.748 -3.588 -3.283 1.00 0.00 C ATOM 156 O GLY A 9 11.718 -3.194 -2.639 1.00 0.00 O ATOM 0 H GLY A 9 8.440 -5.075 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.647 -5.604 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.279 -5.482 -4.160 1.00 0.00 H new ATOM 160 N GLU A 10 9.861 -2.749 -3.831 1.00 0.00 N ATOM 161 CA GLU A 10 9.972 -1.302 -3.732 1.00 0.00 C ATOM 162 C GLU A 10 9.226 -0.773 -2.503 1.00 0.00 C ATOM 163 O GLU A 10 8.660 -1.549 -1.733 1.00 0.00 O ATOM 164 CB GLU A 10 9.415 -0.661 -5.004 1.00 0.00 C ATOM 165 CG GLU A 10 10.189 -1.103 -6.248 1.00 0.00 C ATOM 166 CD GLU A 10 11.661 -0.704 -6.166 1.00 0.00 C ATOM 167 OE1 GLU A 10 11.926 0.516 -6.079 1.00 0.00 O ATOM 168 OE2 GLU A 10 12.513 -1.621 -6.192 1.00 0.00 O ATOM 0 H GLU A 10 9.045 -3.063 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 10 11.024 -1.041 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.364 -0.928 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.460 0.424 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.110 -2.184 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.739 -0.656 -7.135 1.00 0.00 H new ATOM 175 N SER A 11 9.223 0.550 -2.316 1.00 0.00 N ATOM 176 CA SER A 11 8.663 1.172 -1.120 1.00 0.00 C ATOM 177 C SER A 11 7.904 2.458 -1.431 1.00 0.00 C ATOM 178 O SER A 11 7.931 2.963 -2.558 1.00 0.00 O ATOM 179 CB SER A 11 9.795 1.460 -0.126 1.00 0.00 C ATOM 180 OG SER A 11 10.417 0.256 0.272 1.00 0.00 O ATOM 0 H SER A 11 9.607 1.214 -2.988 1.00 0.00 H new ATOM 0 HA SER A 11 7.944 0.476 -0.688 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.530 2.123 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.398 1.978 0.747 1.00 0.00 H new ATOM 0 HG SER A 11 11.138 0.454 0.905 1.00 0.00 H new ATOM 186 N ILE A 12 7.226 2.983 -0.406 1.00 0.00 N ATOM 187 CA ILE A 12 6.370 4.165 -0.456 1.00 0.00 C ATOM 188 C ILE A 12 6.500 4.865 0.902 1.00 0.00 C ATOM 189 O ILE A 12 7.019 4.277 1.848 1.00 0.00 O ATOM 190 CB ILE A 12 4.915 3.745 -0.735 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.828 2.877 -1.995 1.00 0.00 C ATOM 192 CG2 ILE A 12 3.976 4.951 -0.882 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.382 2.484 -2.303 1.00 0.00 C ATOM 0 H ILE A 12 7.263 2.572 0.527 1.00 0.00 H new ATOM 0 HA ILE A 12 6.667 4.843 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 12 4.590 3.167 0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.248 3.420 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.430 1.978 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.962 4.601 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.987 5.535 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.311 5.574 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.356 1.869 -3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.972 1.920 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.786 3.383 -2.461 1.00 0.00 H new ATOM 205 N ASN A 13 6.035 6.113 1.012 1.00 0.00 N ATOM 206 CA ASN A 13 6.154 6.879 2.245 1.00 0.00 C ATOM 207 C ASN A 13 4.888 7.701 2.505 1.00 0.00 C ATOM 208 O ASN A 13 4.225 8.142 1.563 1.00 0.00 O ATOM 209 CB ASN A 13 7.387 7.777 2.140 1.00 0.00 C ATOM 210 CG ASN A 13 7.940 8.113 3.512 1.00 0.00 C ATOM 211 OD1 ASN A 13 7.382 8.930 4.237 1.00 0.00 O ATOM 212 ND2 ASN A 13 9.050 7.468 3.866 1.00 0.00 N ATOM 0 H ASN A 13 5.570 6.612 0.254 1.00 0.00 H new ATOM 0 HA ASN A 13 6.269 6.201 3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.154 7.278 1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.127 8.696 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.474 7.645 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.476 6.797 3.226 1.00 0.00 H new ATOM 219 N ILE A 14 4.556 7.910 3.783 1.00 0.00 N ATOM 220 CA ILE A 14 3.351 8.625 4.188 1.00 0.00 C ATOM 221 C ILE A 14 3.604 9.422 5.467 1.00 0.00 C ATOM 222 O ILE A 14 4.361 8.991 6.335 1.00 0.00 O ATOM 223 CB ILE A 14 2.211 7.619 4.430 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.895 6.844 3.141 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.959 8.342 4.943 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.760 5.834 3.319 1.00 0.00 C ATOM 0 H ILE A 14 5.122 7.584 4.567 1.00 0.00 H new ATOM 0 HA ILE A 14 3.072 9.316 3.392 1.00 0.00 H new ATOM 0 HB ILE A 14 2.534 6.907 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.627 7.550 2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.792 6.321 2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.162 7.617 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.190 8.849 5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.634 9.075 4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.582 5.317 2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.035 5.108 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.147 6.356 3.624 1.00 0.00 H new ATOM 238 N GLY A 15 2.962 10.590 5.577 1.00 0.00 N ATOM 239 CA GLY A 15 2.944 11.399 6.793 1.00 0.00 C ATOM 240 C GLY A 15 4.331 11.782 7.318 1.00 0.00 C ATOM 241 O GLY A 15 4.439 12.235 8.456 1.00 0.00 O ATOM 0 H GLY A 15 2.433 11.003 4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.377 12.310 6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.413 10.852 7.571 1.00 0.00 H new ATOM 245 N ASP A 16 5.377 11.602 6.507 1.00 0.00 N ATOM 246 CA ASP A 16 6.760 11.882 6.873 1.00 0.00 C ATOM 247 C ASP A 16 7.228 11.140 8.134 1.00 0.00 C ATOM 248 O ASP A 16 8.290 11.452 8.670 1.00 0.00 O ATOM 249 CB ASP A 16 6.979 13.393 6.986 1.00 0.00 C ATOM 250 CG ASP A 16 6.506 14.130 5.732 1.00 0.00 C ATOM 251 OD1 ASP A 16 7.183 13.987 4.690 1.00 0.00 O ATOM 252 OD2 ASP A 16 5.470 14.828 5.828 1.00 0.00 O ATOM 0 H ASP A 16 5.279 11.249 5.555 1.00 0.00 H new ATOM 0 HA ASP A 16 7.385 11.493 6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.443 13.774 7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.037 13.596 7.150 1.00 0.00 H new ATOM 257 N ASP A 17 6.452 10.162 8.617 1.00 0.00 N ATOM 258 CA ASP A 17 6.821 9.340 9.769 1.00 0.00 C ATOM 259 C ASP A 17 6.388 7.888 9.553 1.00 0.00 C ATOM 260 O ASP A 17 6.482 7.075 10.471 1.00 0.00 O ATOM 261 CB ASP A 17 6.189 9.870 11.059 1.00 0.00 C ATOM 262 CG ASP A 17 6.657 11.282 11.407 1.00 0.00 C ATOM 263 OD1 ASP A 17 7.839 11.415 11.801 1.00 0.00 O ATOM 264 OD2 ASP A 17 5.837 12.218 11.279 1.00 0.00 O ATOM 0 H ASP A 17 5.546 9.920 8.215 1.00 0.00 H new ATOM 0 HA ASP A 17 7.906 9.386 9.868 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.104 9.866 10.955 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.433 9.198 11.881 1.00 0.00 H new ATOM 269 N ILE A 18 5.913 7.554 8.348 1.00 0.00 N ATOM 270 CA ILE A 18 5.471 6.212 8.024 1.00 0.00 C ATOM 271 C ILE A 18 6.094 5.797 6.701 1.00 0.00 C ATOM 272 O ILE A 18 6.270 6.620 5.803 1.00 0.00 O ATOM 273 CB ILE A 18 3.936 6.148 7.940 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.270 6.565 9.258 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.495 4.724 7.584 1.00 0.00 C ATOM 276 CD1 ILE A 18 2.906 8.050 9.241 1.00 0.00 C ATOM 0 H ILE A 18 5.828 8.215 7.575 1.00 0.00 H new ATOM 0 HA ILE A 18 5.788 5.527 8.810 1.00 0.00 H new ATOM 0 HB ILE A 18 3.622 6.848 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.372 5.969 9.421 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.943 6.361 10.091 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.407 4.684 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.921 4.441 6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.843 4.033 8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.435 8.320 10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.809 8.644 9.102 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.214 8.246 8.422 1.00 0.00 H new ATOM 288 N THR A 19 6.423 4.512 6.587 1.00 0.00 N ATOM 289 CA THR A 19 7.000 3.944 5.378 1.00 0.00 C ATOM 290 C THR A 19 6.292 2.632 5.093 1.00 0.00 C ATOM 291 O THR A 19 5.825 1.964 6.014 1.00 0.00 O ATOM 292 CB THR A 19 8.510 3.744 5.567 1.00 0.00 C ATOM 293 OG1 THR A 19 9.112 4.950 5.986 1.00 0.00 O ATOM 294 CG2 THR A 19 9.185 3.294 4.276 1.00 0.00 C ATOM 0 H THR A 19 6.294 3.834 7.338 1.00 0.00 H new ATOM 0 HA THR A 19 6.866 4.614 4.529 1.00 0.00 H new ATOM 0 HB THR A 19 8.639 2.969 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.075 4.811 6.105 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.253 3.163 4.450 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.752 2.348 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.033 4.048 3.504 1.00 0.00 H new ATOM 302 N ILE A 20 6.211 2.264 3.817 1.00 0.00 N ATOM 303 CA ILE A 20 5.520 1.060 3.374 1.00 0.00 C ATOM 304 C ILE A 20 6.426 0.335 2.390 1.00 0.00 C ATOM 305 O ILE A 20 7.178 0.980 1.658 1.00 0.00 O ATOM 306 CB ILE A 20 4.204 1.454 2.682 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.327 2.382 3.533 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.412 0.208 2.276 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.750 1.695 4.768 1.00 0.00 C ATOM 0 H ILE A 20 6.628 2.800 3.055 1.00 0.00 H new ATOM 0 HA ILE A 20 5.291 0.413 4.221 1.00 0.00 H new ATOM 0 HB ILE A 20 4.485 2.015 1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.917 3.243 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.509 2.762 2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.485 0.509 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.006 -0.392 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.180 -0.381 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.140 2.404 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.134 0.850 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.564 1.339 5.400 1.00 0.00 H new ATOM 321 N THR A 21 6.360 -0.997 2.363 1.00 0.00 N ATOM 322 CA THR A 21 7.156 -1.782 1.438 1.00 0.00 C ATOM 323 C THR A 21 6.318 -2.939 0.906 1.00 0.00 C ATOM 324 O THR A 21 5.773 -3.725 1.678 1.00 0.00 O ATOM 325 CB THR A 21 8.415 -2.305 2.137 1.00 0.00 C ATOM 326 OG1 THR A 21 9.112 -1.237 2.740 1.00 0.00 O ATOM 327 CG2 THR A 21 9.352 -2.991 1.144 1.00 0.00 C ATOM 0 H THR A 21 5.760 -1.549 2.975 1.00 0.00 H new ATOM 0 HA THR A 21 7.466 -1.154 0.602 1.00 0.00 H new ATOM 0 HB THR A 21 8.098 -3.026 2.890 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.559 -0.706 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.237 -3.352 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.837 -3.832 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.651 -2.279 0.375 1.00 0.00 H new ATOM 335 N ILE A 22 6.216 -3.036 -0.421 1.00 0.00 N ATOM 336 CA ILE A 22 5.521 -4.127 -1.082 1.00 0.00 C ATOM 337 C ILE A 22 6.459 -5.332 -1.065 1.00 0.00 C ATOM 338 O ILE A 22 7.312 -5.489 -1.938 1.00 0.00 O ATOM 339 CB ILE A 22 5.076 -3.688 -2.487 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.622 -4.876 -3.335 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.172 -2.936 -3.244 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.461 -5.622 -2.690 1.00 0.00 C ATOM 0 H ILE A 22 6.617 -2.354 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 22 4.602 -4.410 -0.570 1.00 0.00 H new ATOM 0 HB ILE A 22 4.236 -3.012 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.324 -4.524 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.458 -5.560 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.803 -2.650 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.451 -2.041 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.044 -3.580 -3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.169 -6.459 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.767 -5.997 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.615 -4.945 -2.570 1.00 0.00 H new ATOM 354 N LEU A 23 6.301 -6.192 -0.055 1.00 0.00 N ATOM 355 CA LEU A 23 7.250 -7.272 0.182 1.00 0.00 C ATOM 356 C LEU A 23 7.191 -8.328 -0.912 1.00 0.00 C ATOM 357 O LEU A 23 8.184 -9.014 -1.154 1.00 0.00 O ATOM 358 CB LEU A 23 6.975 -7.916 1.544 1.00 0.00 C ATOM 359 CG LEU A 23 6.856 -6.892 2.674 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.769 -7.631 4.002 1.00 0.00 C ATOM 361 CD2 LEU A 23 8.059 -5.952 2.734 1.00 0.00 C ATOM 0 H LEU A 23 5.526 -6.158 0.607 1.00 0.00 H new ATOM 0 HA LEU A 23 8.252 -6.842 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.053 -8.495 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.777 -8.616 1.778 1.00 0.00 H new ATOM 0 HG LEU A 23 5.964 -6.296 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.684 -6.910 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.894 -8.281 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.667 -8.232 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.927 -5.244 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.967 -6.533 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.143 -5.408 1.793 1.00 0.00 H new ATOM 373 N GLY A 24 6.043 -8.474 -1.579 1.00 0.00 N ATOM 374 CA GLY A 24 5.938 -9.411 -2.686 1.00 0.00 C ATOM 375 C GLY A 24 4.506 -9.657 -3.134 1.00 0.00 C ATOM 376 O GLY A 24 3.574 -8.990 -2.690 1.00 0.00 O ATOM 0 H GLY A 24 5.187 -7.960 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.515 -9.032 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.388 -10.360 -2.393 1.00 0.00 H new ATOM 380 N VAL A 25 4.353 -10.633 -4.028 1.00 0.00 N ATOM 381 CA VAL A 25 3.093 -10.936 -4.689 1.00 0.00 C ATOM 382 C VAL A 25 2.910 -12.450 -4.799 1.00 0.00 C ATOM 383 O VAL A 25 3.877 -13.192 -4.951 1.00 0.00 O ATOM 384 CB VAL A 25 3.099 -10.252 -6.062 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.284 -10.690 -6.926 1.00 0.00 C ATOM 386 CG2 VAL A 25 1.804 -10.507 -6.824 1.00 0.00 C ATOM 0 H VAL A 25 5.118 -11.244 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 25 2.249 -10.558 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 25 3.193 -9.185 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.243 -10.178 -7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.216 -10.438 -6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.239 -11.767 -7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.846 -10.006 -7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.676 -11.579 -6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.962 -10.118 -6.251 1.00 0.00 H new ATOM 396 N SER A 26 1.651 -12.890 -4.718 1.00 0.00 N ATOM 397 CA SER A 26 1.261 -14.290 -4.749 1.00 0.00 C ATOM 398 C SER A 26 -0.096 -14.397 -5.435 1.00 0.00 C ATOM 399 O SER A 26 -1.097 -14.742 -4.806 1.00 0.00 O ATOM 400 CB SER A 26 1.197 -14.863 -3.327 1.00 0.00 C ATOM 401 OG SER A 26 2.434 -14.695 -2.666 1.00 0.00 O ATOM 0 H SER A 26 0.856 -12.257 -4.626 1.00 0.00 H new ATOM 0 HA SER A 26 2.000 -14.868 -5.304 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.407 -14.365 -2.764 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.941 -15.922 -3.367 1.00 0.00 H new ATOM 0 HG SER A 26 2.374 -15.065 -1.760 1.00 0.00 H new ATOM 407 N GLY A 27 -0.133 -14.095 -6.738 1.00 0.00 N ATOM 408 CA GLY A 27 -1.387 -14.062 -7.462 1.00 0.00 C ATOM 409 C GLY A 27 -2.155 -12.815 -7.052 1.00 0.00 C ATOM 410 O GLY A 27 -1.593 -11.721 -7.038 1.00 0.00 O ATOM 0 H GLY A 27 0.689 -13.873 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.203 -14.056 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.973 -14.955 -7.244 1.00 0.00 H new ATOM 414 N GLN A 28 -3.435 -12.978 -6.721 1.00 0.00 N ATOM 415 CA GLN A 28 -4.244 -11.872 -6.230 1.00 0.00 C ATOM 416 C GLN A 28 -3.720 -11.378 -4.885 1.00 0.00 C ATOM 417 O GLN A 28 -3.969 -10.226 -4.530 1.00 0.00 O ATOM 418 CB GLN A 28 -5.697 -12.332 -6.071 1.00 0.00 C ATOM 419 CG GLN A 28 -6.490 -12.140 -7.362 1.00 0.00 C ATOM 420 CD GLN A 28 -5.743 -12.654 -8.585 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.656 -13.858 -8.817 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.192 -11.739 -9.380 1.00 0.00 N ATOM 0 H GLN A 28 -3.931 -13.867 -6.785 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.190 -11.055 -6.949 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.717 -13.383 -5.783 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.171 -11.772 -5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.445 -12.659 -7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.713 -11.081 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.284 -10.748 -9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.678 -12.029 -10.212 1.00 0.00 H new ATOM 431 N GLN A 29 -3.003 -12.230 -4.139 1.00 0.00 N ATOM 432 CA GLN A 29 -2.517 -11.875 -2.825 1.00 0.00 C ATOM 433 C GLN A 29 -1.237 -11.063 -2.942 1.00 0.00 C ATOM 434 O GLN A 29 -0.464 -11.227 -3.885 1.00 0.00 O ATOM 435 CB GLN A 29 -2.321 -13.159 -2.031 1.00 0.00 C ATOM 436 CG GLN A 29 -2.301 -12.896 -0.527 1.00 0.00 C ATOM 437 CD GLN A 29 -2.376 -14.218 0.219 1.00 0.00 C ATOM 438 OE1 GLN A 29 -1.423 -14.653 0.856 1.00 0.00 O ATOM 439 NE2 GLN A 29 -3.536 -14.857 0.126 1.00 0.00 N ATOM 0 H GLN A 29 -2.753 -13.173 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.235 -11.246 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.123 -13.859 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.386 -13.633 -2.330 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.391 -12.362 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.141 -12.260 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.299 -14.453 -0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.664 -15.752 0.597 1.00 0.00 H new ATOM 448 N VAL A 30 -1.027 -10.183 -1.967 1.00 0.00 N ATOM 449 CA VAL A 30 0.043 -9.208 -1.979 1.00 0.00 C ATOM 450 C VAL A 30 0.505 -9.025 -0.540 1.00 0.00 C ATOM 451 O VAL A 30 -0.254 -8.518 0.283 1.00 0.00 O ATOM 452 CB VAL A 30 -0.522 -7.905 -2.554 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.537 -6.819 -2.635 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.045 -8.104 -3.979 1.00 0.00 C ATOM 0 H VAL A 30 -1.611 -10.132 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 30 0.891 -9.521 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.325 -7.611 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.097 -5.911 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.924 -6.613 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.351 -7.152 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.439 -7.161 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.232 -8.441 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.838 -8.852 -3.974 1.00 0.00 H new ATOM 464 N ARG A 31 1.737 -9.436 -0.227 1.00 0.00 N ATOM 465 CA ARG A 31 2.259 -9.284 1.124 1.00 0.00 C ATOM 466 C ARG A 31 2.899 -7.910 1.231 1.00 0.00 C ATOM 467 O ARG A 31 3.675 -7.508 0.363 1.00 0.00 O ATOM 468 CB ARG A 31 3.259 -10.399 1.451 1.00 0.00 C ATOM 469 CG ARG A 31 3.451 -10.485 2.971 1.00 0.00 C ATOM 470 CD ARG A 31 4.509 -11.515 3.372 1.00 0.00 C ATOM 471 NE ARG A 31 4.224 -12.842 2.812 1.00 0.00 N ATOM 472 CZ ARG A 31 3.884 -13.922 3.526 1.00 0.00 C ATOM 473 NH1 ARG A 31 3.736 -13.863 4.845 1.00 0.00 N ATOM 474 NH2 ARG A 31 3.687 -15.083 2.909 1.00 0.00 N ATOM 0 H ARG A 31 2.382 -9.872 -0.886 1.00 0.00 H new ATOM 0 HA ARG A 31 1.451 -9.366 1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.896 -11.352 1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.214 -10.200 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.739 -9.506 3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.501 -10.743 3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.489 -11.180 3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.556 -11.582 4.459 1.00 0.00 H new ATOM 0 HE ARG A 31 4.290 -12.949 1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.882 -12.981 5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.476 -14.700 5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.795 -15.147 1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.428 -15.909 3.448 1.00 0.00 H new ATOM 488 N ILE A 32 2.572 -7.183 2.301 1.00 0.00 N ATOM 489 CA ILE A 32 2.982 -5.794 2.448 1.00 0.00 C ATOM 490 C ILE A 32 3.494 -5.577 3.868 1.00 0.00 C ATOM 491 O ILE A 32 3.103 -6.296 4.787 1.00 0.00 O ATOM 492 CB ILE A 32 1.792 -4.862 2.155 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.894 -5.424 1.042 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.314 -3.469 1.781 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.205 -4.447 0.608 1.00 0.00 C ATOM 0 H ILE A 32 2.020 -7.541 3.081 1.00 0.00 H new ATOM 0 HA ILE A 32 3.778 -5.565 1.739 1.00 0.00 H new ATOM 0 HB ILE A 32 1.181 -4.789 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.510 -5.676 0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.434 -6.350 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.472 -2.809 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.897 -3.065 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.945 -3.543 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.805 -4.901 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.842 -4.214 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.250 -3.530 0.234 1.00 0.00 H new ATOM 507 N GLY A 33 4.369 -4.587 4.044 1.00 0.00 N ATOM 508 CA GLY A 33 4.916 -4.248 5.341 1.00 0.00 C ATOM 509 C GLY A 33 4.722 -2.763 5.615 1.00 0.00 C ATOM 510 O GLY A 33 4.586 -1.966 4.688 1.00 0.00 O ATOM 0 H GLY A 33 4.714 -4.001 3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.426 -4.837 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.977 -4.497 5.374 1.00 0.00 H new ATOM 514 N ILE A 34 4.716 -2.405 6.901 1.00 0.00 N ATOM 515 CA ILE A 34 4.468 -1.045 7.349 1.00 0.00 C ATOM 516 C ILE A 34 5.474 -0.711 8.434 1.00 0.00 C ATOM 517 O ILE A 34 5.841 -1.578 9.226 1.00 0.00 O ATOM 518 CB ILE A 34 3.029 -0.926 7.878 1.00 0.00 C ATOM 519 CG1 ILE A 34 2.033 -1.381 6.806 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.741 0.518 8.304 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.587 -1.366 7.311 1.00 0.00 C ATOM 0 H ILE A 34 4.885 -3.062 7.663 1.00 0.00 H new ATOM 0 HA ILE A 34 4.580 -0.343 6.523 1.00 0.00 H new ATOM 0 HB ILE A 34 2.918 -1.572 8.749 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.118 -0.731 5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.290 -2.388 6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.719 0.590 8.677 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.436 0.811 9.091 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.863 1.181 7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.080 -1.696 6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.493 -2.037 8.165 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.318 -0.354 7.613 1.00 0.00 H new ATOM 533 N ASN A 35 5.926 0.539 8.475 1.00 0.00 N ATOM 534 CA ASN A 35 6.919 0.965 9.445 1.00 0.00 C ATOM 535 C ASN A 35 6.581 2.369 9.931 1.00 0.00 C ATOM 536 O ASN A 35 6.737 3.341 9.195 1.00 0.00 O ATOM 537 CB ASN A 35 8.297 0.896 8.783 1.00 0.00 C ATOM 538 CG ASN A 35 9.431 1.079 9.783 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.219 1.524 10.907 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.649 0.728 9.377 1.00 0.00 N ATOM 0 H ASN A 35 5.615 1.276 7.842 1.00 0.00 H new ATOM 0 HA ASN A 35 6.925 0.313 10.319 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.409 -0.066 8.283 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.367 1.665 8.014 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.445 0.825 10.008 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.787 0.362 8.435 1.00 0.00 H new ATOM 547 N ALA A 36 6.117 2.460 11.179 1.00 0.00 N ATOM 548 CA ALA A 36 5.693 3.712 11.786 1.00 0.00 C ATOM 549 C ALA A 36 5.880 3.643 13.298 1.00 0.00 C ATOM 550 O ALA A 36 5.956 2.548 13.858 1.00 0.00 O ATOM 551 CB ALA A 36 4.214 3.913 11.459 1.00 0.00 C ATOM 0 H ALA A 36 6.026 1.655 11.799 1.00 0.00 H new ATOM 0 HA ALA A 36 6.286 4.541 11.400 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.867 4.846 11.902 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.083 3.954 10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.636 3.082 11.863 1.00 0.00 H new ATOM 557 N PRO A 37 5.955 4.794 13.978 1.00 0.00 N ATOM 558 CA PRO A 37 6.034 4.856 15.427 1.00 0.00 C ATOM 559 C PRO A 37 4.760 4.280 16.043 1.00 0.00 C ATOM 560 O PRO A 37 3.711 4.287 15.410 1.00 0.00 O ATOM 561 CB PRO A 37 6.200 6.339 15.763 1.00 0.00 C ATOM 562 CG PRO A 37 5.662 7.078 14.533 1.00 0.00 C ATOM 563 CD PRO A 37 5.966 6.119 13.389 1.00 0.00 C ATOM 0 HA PRO A 37 6.863 4.271 15.826 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.643 6.607 16.661 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.245 6.588 15.950 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.594 7.277 14.618 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.155 8.040 14.394 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.220 6.203 12.599 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.934 6.340 12.939 1.00 0.00 H new ATOM 571 N LYS A 38 4.832 3.774 17.280 1.00 0.00 N ATOM 572 CA LYS A 38 3.649 3.235 17.946 1.00 0.00 C ATOM 573 C LYS A 38 2.686 4.363 18.306 1.00 0.00 C ATOM 574 O LYS A 38 1.583 4.123 18.794 1.00 0.00 O ATOM 575 CB LYS A 38 4.042 2.465 19.204 1.00 0.00 C ATOM 576 CG LYS A 38 5.117 1.402 18.964 1.00 0.00 C ATOM 577 CD LYS A 38 4.748 0.400 17.871 1.00 0.00 C ATOM 578 CE LYS A 38 5.146 0.838 16.465 1.00 0.00 C ATOM 579 NZ LYS A 38 6.602 1.033 16.338 1.00 0.00 N ATOM 0 H LYS A 38 5.689 3.728 17.832 1.00 0.00 H new ATOM 0 HA LYS A 38 3.153 2.549 17.259 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.402 3.170 19.953 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.155 1.985 19.618 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.051 1.895 18.694 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.298 0.863 19.894 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.226 -0.555 18.092 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.671 0.231 17.896 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.817 0.089 15.745 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.633 1.767 16.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.853 1.129 15.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.883 1.894 16.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.099 0.213 16.742 1.00 0.00 H new ATOM 593 N ASP A 39 3.130 5.597 18.053 1.00 0.00 N ATOM 594 CA ASP A 39 2.348 6.812 18.229 1.00 0.00 C ATOM 595 C ASP A 39 1.186 6.866 17.236 1.00 0.00 C ATOM 596 O ASP A 39 0.344 7.758 17.314 1.00 0.00 O ATOM 597 CB ASP A 39 3.260 8.023 18.045 1.00 0.00 C ATOM 598 CG ASP A 39 4.257 8.141 19.195 1.00 0.00 C ATOM 599 OD1 ASP A 39 3.897 8.792 20.204 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.367 7.579 19.060 1.00 0.00 O ATOM 0 H ASP A 39 4.073 5.778 17.710 1.00 0.00 H new ATOM 0 HA ASP A 39 1.925 6.819 19.234 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.798 7.937 17.101 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.658 8.930 17.987 1.00 0.00 H new ATOM 605 N VAL A 40 1.143 5.912 16.304 1.00 0.00 N ATOM 606 CA VAL A 40 0.066 5.770 15.338 1.00 0.00 C ATOM 607 C VAL A 40 -0.310 4.295 15.257 1.00 0.00 C ATOM 608 O VAL A 40 0.453 3.436 15.700 1.00 0.00 O ATOM 609 CB VAL A 40 0.486 6.326 13.970 1.00 0.00 C ATOM 610 CG1 VAL A 40 0.936 7.780 14.093 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.647 5.540 13.363 1.00 0.00 C ATOM 0 H VAL A 40 1.872 5.206 16.202 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.804 6.345 15.655 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.389 6.241 13.326 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.229 8.154 13.112 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.115 8.383 14.481 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.785 7.842 14.774 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.910 5.969 12.396 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.508 5.591 14.029 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.352 4.499 13.230 1.00 0.00 H new ATOM 621 N ALA A 41 -1.477 3.982 14.693 1.00 0.00 N ATOM 622 CA ALA A 41 -1.971 2.615 14.670 1.00 0.00 C ATOM 623 C ALA A 41 -2.088 2.102 13.241 1.00 0.00 C ATOM 624 O ALA A 41 -2.288 2.890 12.318 1.00 0.00 O ATOM 625 CB ALA A 41 -3.323 2.574 15.379 1.00 0.00 C ATOM 0 H ALA A 41 -2.094 4.661 14.247 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.268 1.963 15.188 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.708 1.554 15.370 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.204 2.908 16.410 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.024 3.231 14.864 1.00 0.00 H new ATOM 631 N VAL A 42 -1.962 0.783 13.060 1.00 0.00 N ATOM 632 CA VAL A 42 -2.066 0.158 11.746 1.00 0.00 C ATOM 633 C VAL A 42 -2.732 -1.206 11.883 1.00 0.00 C ATOM 634 O VAL A 42 -2.340 -1.999 12.737 1.00 0.00 O ATOM 635 CB VAL A 42 -0.678 0.011 11.101 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.098 1.328 11.123 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.199 -1.031 11.795 1.00 0.00 C ATOM 0 H VAL A 42 -1.786 0.125 13.819 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.673 0.793 11.101 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.884 -0.306 10.079 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.073 1.183 10.658 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.457 2.087 10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.232 1.654 12.154 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.165 -1.087 11.292 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.348 -0.746 12.836 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.289 -2.005 11.752 1.00 0.00 H new ATOM 647 N HIS A 43 -3.738 -1.499 11.049 1.00 0.00 N ATOM 648 CA HIS A 43 -4.353 -2.823 11.059 1.00 0.00 C ATOM 649 C HIS A 43 -5.020 -3.142 9.728 1.00 0.00 C ATOM 650 O HIS A 43 -5.284 -2.249 8.922 1.00 0.00 O ATOM 651 CB HIS A 43 -5.432 -2.959 12.154 1.00 0.00 C ATOM 652 CG HIS A 43 -5.213 -2.143 13.403 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.516 -2.576 14.535 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.665 -0.870 13.615 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.563 -1.551 15.397 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.244 -0.515 14.875 1.00 0.00 N ATOM 0 H HIS A 43 -4.134 -0.847 10.372 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.536 -3.518 11.255 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.394 -2.679 11.725 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.503 -4.009 12.438 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.067 -3.481 14.675 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.239 -0.264 12.929 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.114 -1.556 16.379 1.00 0.00 H new ATOM 664 N ARG A 44 -5.287 -4.433 9.519 1.00 0.00 N ATOM 665 CA ARG A 44 -6.114 -4.923 8.433 1.00 0.00 C ATOM 666 C ARG A 44 -7.491 -4.277 8.602 1.00 0.00 C ATOM 667 O ARG A 44 -7.942 -4.096 9.731 1.00 0.00 O ATOM 668 CB ARG A 44 -6.149 -6.451 8.560 1.00 0.00 C ATOM 669 CG ARG A 44 -7.128 -7.141 7.608 1.00 0.00 C ATOM 670 CD ARG A 44 -7.172 -8.633 7.931 1.00 0.00 C ATOM 671 NE ARG A 44 -8.175 -9.326 7.117 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.346 -10.649 7.084 1.00 0.00 C ATOM 673 NH1 ARG A 44 -7.602 -11.461 7.833 1.00 0.00 N ATOM 674 NH2 ARG A 44 -9.273 -11.187 6.297 1.00 0.00 N ATOM 0 H ARG A 44 -4.923 -5.176 10.116 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.742 -4.674 7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.148 -6.842 8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.412 -6.713 9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.122 -6.705 7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.817 -6.989 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.191 -9.074 7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.400 -8.772 8.988 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.787 -8.755 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.885 -11.074 8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.749 -12.470 7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.858 -10.588 5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.399 -12.199 6.276 1.00 0.00 H new ATOM 688 N GLU A 45 -8.161 -3.928 7.505 1.00 0.00 N ATOM 689 CA GLU A 45 -9.430 -3.208 7.578 1.00 0.00 C ATOM 690 C GLU A 45 -10.480 -3.980 8.381 1.00 0.00 C ATOM 691 O GLU A 45 -11.378 -3.387 8.976 1.00 0.00 O ATOM 692 CB GLU A 45 -9.897 -2.894 6.154 1.00 0.00 C ATOM 693 CG GLU A 45 -10.887 -1.732 6.108 1.00 0.00 C ATOM 694 CD GLU A 45 -12.310 -2.122 6.484 1.00 0.00 C ATOM 695 OE1 GLU A 45 -12.795 -3.148 5.959 1.00 0.00 O ATOM 696 OE2 GLU A 45 -12.904 -1.381 7.301 1.00 0.00 O ATOM 0 H GLU A 45 -7.846 -4.132 6.556 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.285 -2.271 8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.032 -2.655 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.362 -3.781 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.545 -0.948 6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.890 -1.309 5.104 1.00 0.00 H new ATOM 703 N GLU A 46 -10.375 -5.310 8.407 1.00 0.00 N ATOM 704 CA GLU A 46 -11.238 -6.144 9.235 1.00 0.00 C ATOM 705 C GLU A 46 -11.007 -5.850 10.716 1.00 0.00 C ATOM 706 O GLU A 46 -11.956 -5.642 11.467 1.00 0.00 O ATOM 707 CB GLU A 46 -10.940 -7.621 8.976 1.00 0.00 C ATOM 708 CG GLU A 46 -11.662 -8.166 7.744 1.00 0.00 C ATOM 709 CD GLU A 46 -11.268 -7.454 6.450 1.00 0.00 C ATOM 710 OE1 GLU A 46 -10.066 -7.519 6.100 1.00 0.00 O ATOM 711 OE2 GLU A 46 -12.163 -6.851 5.819 1.00 0.00 O ATOM 0 H GLU A 46 -9.693 -5.833 7.858 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.274 -5.921 8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.865 -7.753 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.232 -8.204 9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.446 -9.230 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.738 -8.071 7.890 1.00 0.00 H new ATOM 718 N ILE A 47 -9.738 -5.835 11.137 1.00 0.00 N ATOM 719 CA ILE A 47 -9.381 -5.670 12.538 1.00 0.00 C ATOM 720 C ILE A 47 -9.614 -4.233 12.983 1.00 0.00 C ATOM 721 O ILE A 47 -9.813 -3.968 14.167 1.00 0.00 O ATOM 722 CB ILE A 47 -7.912 -6.071 12.732 1.00 0.00 C ATOM 723 CG1 ILE A 47 -7.641 -7.453 12.119 1.00 0.00 C ATOM 724 CG2 ILE A 47 -7.554 -6.090 14.218 1.00 0.00 C ATOM 725 CD1 ILE A 47 -8.695 -8.485 12.508 1.00 0.00 C ATOM 0 H ILE A 47 -8.937 -5.937 10.514 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.012 -6.313 13.152 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.292 -5.332 12.225 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.608 -7.364 11.033 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.660 -7.803 12.440 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.509 -6.376 14.337 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.709 -5.098 14.642 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.188 -6.809 14.736 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.454 -9.443 12.047 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.711 -8.598 13.592 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.674 -8.153 12.163 1.00 0.00 H new ATOM 737 N TYR A 48 -9.594 -3.303 12.031 1.00 0.00 N ATOM 738 CA TYR A 48 -9.853 -1.906 12.308 1.00 0.00 C ATOM 739 C TYR A 48 -11.272 -1.727 12.844 1.00 0.00 C ATOM 740 O TYR A 48 -11.492 -0.928 13.751 1.00 0.00 O ATOM 741 CB TYR A 48 -9.648 -1.144 10.999 1.00 0.00 C ATOM 742 CG TYR A 48 -9.865 0.345 11.085 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.966 1.146 11.804 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.963 0.927 10.438 1.00 0.00 C ATOM 745 CE1 TYR A 48 -9.149 2.533 11.857 1.00 0.00 C ATOM 746 CE2 TYR A 48 -11.140 2.314 10.466 1.00 0.00 C ATOM 747 CZ TYR A 48 -10.229 3.127 11.176 1.00 0.00 C ATOM 748 OH TYR A 48 -10.405 4.477 11.205 1.00 0.00 O ATOM 0 H TYR A 48 -9.398 -3.503 11.050 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.177 -1.523 13.073 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.634 -1.328 10.645 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.326 -1.552 10.249 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.131 0.692 12.318 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.674 0.303 9.917 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.462 3.147 12.420 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.973 2.763 9.945 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.944 4.850 11.985 1.00 0.00 H new ATOM 1601 N MET C 1 8.762 -3.241 11.666 1.00 0.00 N ATOM 1602 CA MET C 1 7.827 -3.494 10.558 1.00 0.00 C ATOM 1603 C MET C 1 6.607 -4.262 11.047 1.00 0.00 C ATOM 1604 O MET C 1 6.711 -5.078 11.960 1.00 0.00 O ATOM 1605 CB MET C 1 8.497 -4.322 9.461 1.00 0.00 C ATOM 1606 CG MET C 1 7.659 -4.431 8.190 1.00 0.00 C ATOM 1607 SD MET C 1 8.131 -3.287 6.887 1.00 0.00 S ATOM 1608 CE MET C 1 9.569 -4.260 6.394 1.00 0.00 C ATOM 0 H1 MET C 1 9.736 -3.418 11.346 1.00 0.00 H new ATOM 0 H2 MET C 1 8.674 -2.252 11.975 1.00 0.00 H new ATOM 0 H3 MET C 1 8.538 -3.874 12.461 1.00 0.00 H new ATOM 0 HA MET C 1 7.525 -2.524 10.162 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.460 -3.875 9.215 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.698 -5.323 9.842 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.733 -5.449 7.807 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.613 -4.261 8.444 1.00 0.00 H new ATOM 0 HE1 MET C 1 10.454 -3.624 6.390 1.00 0.00 H new ATOM 0 HE2 MET C 1 9.713 -5.079 7.099 1.00 0.00 H new ATOM 0 HE3 MET C 1 9.409 -4.666 5.395 1.00 0.00 H new ATOM 1620 N LEU C 2 5.458 -3.997 10.429 1.00 0.00 N ATOM 1621 CA LEU C 2 4.232 -4.736 10.662 1.00 0.00 C ATOM 1622 C LEU C 2 3.769 -5.284 9.311 1.00 0.00 C ATOM 1623 O LEU C 2 3.265 -4.538 8.474 1.00 0.00 O ATOM 1624 CB LEU C 2 3.235 -3.783 11.340 1.00 0.00 C ATOM 1625 CG LEU C 2 1.950 -4.433 11.859 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.893 -4.559 10.768 1.00 0.00 C ATOM 1627 CD2 LEU C 2 2.195 -5.819 12.439 1.00 0.00 C ATOM 0 H LEU C 2 5.357 -3.250 9.742 1.00 0.00 H new ATOM 0 HA LEU C 2 4.349 -5.590 11.329 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.737 -3.294 12.175 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.965 -3.002 10.629 1.00 0.00 H new ATOM 0 HG LEU C 2 1.592 -3.769 12.646 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.002 -5.025 11.180 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.643 -3.569 10.387 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.280 -5.173 9.955 1.00 0.00 H new ATOM 0 HD21 LEU C 2 1.253 -6.237 12.793 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.613 -6.467 11.669 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.895 -5.747 13.271 1.00 0.00 H new ATOM 1639 N ILE C 3 3.950 -6.595 9.107 1.00 0.00 N ATOM 1640 CA ILE C 3 3.677 -7.268 7.847 1.00 0.00 C ATOM 1641 C ILE C 3 2.334 -7.988 7.908 1.00 0.00 C ATOM 1642 O ILE C 3 1.967 -8.545 8.944 1.00 0.00 O ATOM 1643 CB ILE C 3 4.785 -8.298 7.563 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.162 -7.654 7.368 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.482 -9.082 6.286 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.911 -7.522 8.690 1.00 0.00 C ATOM 0 H ILE C 3 4.297 -7.223 9.832 1.00 0.00 H new ATOM 0 HA ILE C 3 3.647 -6.522 7.053 1.00 0.00 H new ATOM 0 HB ILE C 3 4.807 -8.947 8.439 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.750 -8.254 6.674 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.043 -6.669 6.916 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.278 -9.804 6.105 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.534 -9.608 6.398 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.418 -8.394 5.443 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.883 -7.061 8.513 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.334 -6.900 9.375 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.052 -8.510 9.128 1.00 0.00 H new ATOM 1658 N LEU C 4 1.602 -7.976 6.790 1.00 0.00 N ATOM 1659 CA LEU C 4 0.356 -8.712 6.643 1.00 0.00 C ATOM 1660 C LEU C 4 0.004 -8.881 5.161 1.00 0.00 C ATOM 1661 O LEU C 4 0.618 -8.250 4.300 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.759 -8.030 7.455 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.754 -6.499 7.461 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.223 -5.927 6.123 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.713 -6.033 8.551 1.00 0.00 C ATOM 0 H LEU C 4 1.865 -7.448 5.958 1.00 0.00 H new ATOM 0 HA LEU C 4 0.473 -9.717 7.048 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -1.720 -8.367 7.067 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.692 -8.376 8.486 1.00 0.00 H new ATOM 0 HG LEU C 4 0.264 -6.152 7.639 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -1.206 -4.838 6.167 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -0.560 -6.269 5.329 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.239 -6.266 5.918 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.730 -4.943 8.579 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.715 -6.407 8.338 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.380 -6.415 9.516 1.00 0.00 H new ATOM 1677 N THR C 5 -0.982 -9.734 4.856 1.00 0.00 N ATOM 1678 CA THR C 5 -1.419 -9.947 3.480 1.00 0.00 C ATOM 1679 C THR C 5 -2.775 -9.317 3.225 1.00 0.00 C ATOM 1680 O THR C 5 -3.604 -9.183 4.125 1.00 0.00 O ATOM 1681 CB THR C 5 -1.554 -11.432 3.131 1.00 0.00 C ATOM 1682 OG1 THR C 5 -2.189 -12.133 4.172 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.218 -12.092 2.819 1.00 0.00 C ATOM 0 H THR C 5 -1.489 -10.286 5.548 1.00 0.00 H new ATOM 0 HA THR C 5 -0.648 -9.486 2.863 1.00 0.00 H new ATOM 0 HB THR C 5 -2.163 -11.477 2.228 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.267 -13.079 3.929 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.379 -13.143 2.579 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.245 -11.592 1.968 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.438 -12.014 3.686 1.00 0.00 H new ATOM 1691 N ARG C 6 -2.959 -8.940 1.961 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.194 -8.434 1.391 1.00 0.00 C ATOM 1693 C ARG C 6 -4.249 -8.939 -0.044 1.00 0.00 C ATOM 1694 O ARG C 6 -3.262 -9.481 -0.541 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.185 -6.897 1.386 1.00 0.00 C ATOM 1696 CG ARG C 6 -4.349 -6.288 2.779 1.00 0.00 C ATOM 1697 CD ARG C 6 -5.801 -5.929 3.092 1.00 0.00 C ATOM 1698 NE ARG C 6 -6.694 -7.092 3.063 1.00 0.00 N ATOM 1699 CZ ARG C 6 -7.807 -7.193 3.794 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -8.209 -6.195 4.571 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -8.537 -8.303 3.753 1.00 0.00 N ATOM 0 H ARG C 6 -2.206 -8.984 1.275 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.054 -8.769 1.971 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.248 -6.547 0.952 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -4.988 -6.538 0.743 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -3.983 -6.993 3.526 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -3.732 -5.393 2.856 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -5.851 -5.463 4.076 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.151 -5.190 2.371 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.451 -7.869 2.449 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -7.665 -5.333 4.617 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -9.062 -6.290 5.122 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.248 -9.082 3.162 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -9.386 -8.376 4.313 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.386 -8.771 -0.711 1.00 0.00 N ATOM 1716 CA LYS C 7 -5.492 -9.093 -2.124 1.00 0.00 C ATOM 1717 C LYS C 7 -6.383 -8.094 -2.831 1.00 0.00 C ATOM 1718 O LYS C 7 -7.061 -7.304 -2.180 1.00 0.00 O ATOM 1719 CB LYS C 7 -5.946 -10.536 -2.355 1.00 0.00 C ATOM 1720 CG LYS C 7 -7.217 -10.939 -1.630 1.00 0.00 C ATOM 1721 CD LYS C 7 -7.379 -12.435 -1.874 1.00 0.00 C ATOM 1722 CE LYS C 7 -8.684 -12.986 -1.301 1.00 0.00 C ATOM 1723 NZ LYS C 7 -8.932 -12.511 0.073 1.00 0.00 N ATOM 0 H LYS C 7 -6.245 -8.414 -0.293 1.00 0.00 H new ATOM 0 HA LYS C 7 -4.495 -9.018 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -6.094 -10.686 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -5.143 -11.206 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -7.144 -10.722 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -8.076 -10.386 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -7.346 -12.630 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -6.538 -12.965 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -9.514 -12.689 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -8.650 -14.075 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -9.649 -13.114 0.525 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.049 -12.555 0.620 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -9.273 -11.529 0.045 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.379 -8.133 -4.164 1.00 0.00 N ATOM 1738 CA VAL C 8 -7.024 -7.092 -4.955 1.00 0.00 C ATOM 1739 C VAL C 8 -8.440 -6.783 -4.471 1.00 0.00 C ATOM 1740 O VAL C 8 -9.261 -7.686 -4.306 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.999 -7.404 -6.450 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.566 -7.643 -6.895 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.833 -8.616 -6.852 1.00 0.00 C ATOM 0 H VAL C 8 -5.938 -8.871 -4.713 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.434 -6.188 -4.804 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.440 -6.536 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.549 -7.866 -7.962 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.971 -6.751 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -5.149 -8.485 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.760 -8.767 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.461 -9.501 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.875 -8.448 -6.579 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.720 -5.498 -4.248 1.00 0.00 N ATOM 1754 CA GLY C 9 -10.046 -5.038 -3.862 1.00 0.00 C ATOM 1755 C GLY C 9 -10.218 -4.917 -2.346 1.00 0.00 C ATOM 1756 O GLY C 9 -11.319 -4.626 -1.883 1.00 0.00 O ATOM 0 H GLY C 9 -8.031 -4.750 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.237 -4.069 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.793 -5.729 -4.253 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.150 -5.132 -1.571 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.204 -5.045 -0.117 1.00 0.00 C ATOM 1762 C GLU C 10 -8.476 -3.792 0.382 1.00 0.00 C ATOM 1763 O GLU C 10 -7.888 -3.059 -0.413 1.00 0.00 O ATOM 1764 CB GLU C 10 -8.597 -6.310 0.490 1.00 0.00 C ATOM 1765 CG GLU C 10 -9.367 -7.555 0.046 1.00 0.00 C ATOM 1766 CD GLU C 10 -8.767 -8.836 0.623 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -7.595 -8.800 1.057 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -9.489 -9.855 0.624 1.00 0.00 O ATOM 0 H GLU C 10 -8.228 -5.370 -1.937 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.245 -4.965 0.198 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.553 -6.397 0.189 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -8.610 -6.238 1.578 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -10.407 -7.469 0.360 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.366 -7.613 -1.042 1.00 0.00 H new ATOM 1775 N SER C 11 -8.508 -3.538 1.697 1.00 0.00 N ATOM 1776 CA SER C 11 -7.989 -2.293 2.250 1.00 0.00 C ATOM 1777 C SER C 11 -7.259 -2.489 3.578 1.00 0.00 C ATOM 1778 O SER C 11 -7.283 -3.568 4.170 1.00 0.00 O ATOM 1779 CB SER C 11 -9.153 -1.318 2.455 1.00 0.00 C ATOM 1780 OG SER C 11 -9.791 -1.030 1.228 1.00 0.00 O ATOM 0 H SER C 11 -8.888 -4.181 2.392 1.00 0.00 H new ATOM 0 HA SER C 11 -7.262 -1.899 1.540 1.00 0.00 H new ATOM 0 HB2 SER C 11 -9.873 -1.746 3.152 1.00 0.00 H new ATOM 0 HB3 SER C 11 -8.785 -0.395 2.904 1.00 0.00 H new ATOM 0 HG SER C 11 -10.532 -0.407 1.383 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.604 -1.419 4.035 1.00 0.00 N ATOM 1787 CA ILE C 12 -5.835 -1.360 5.271 1.00 0.00 C ATOM 1788 C ILE C 12 -6.037 0.034 5.860 1.00 0.00 C ATOM 1789 O ILE C 12 -6.595 0.908 5.196 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.343 -1.611 4.980 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.153 -2.740 3.960 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.582 -1.949 6.268 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -2.679 -2.966 3.642 1.00 0.00 C ATOM 0 H ILE C 12 -6.598 -0.534 3.528 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.167 -2.125 5.973 1.00 0.00 H new ATOM 0 HB ILE C 12 -3.939 -0.691 4.559 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.587 -3.661 4.350 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -4.691 -2.497 3.043 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.531 -2.122 6.035 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.667 -1.119 6.969 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.007 -2.847 6.716 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -2.583 -3.773 2.916 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.252 -2.053 3.228 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.147 -3.234 4.555 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.597 0.273 7.096 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.788 1.568 7.741 1.00 0.00 C ATOM 1807 C ASN C 13 -4.549 1.961 8.544 1.00 0.00 C ATOM 1808 O ASN C 13 -3.870 1.094 9.098 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.028 1.498 8.636 1.00 0.00 C ATOM 1810 CG ASN C 13 -7.543 2.889 8.974 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -6.985 3.582 9.821 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.616 3.304 8.306 1.00 0.00 N ATOM 0 H ASN C 13 -5.106 -0.414 7.668 1.00 0.00 H new ATOM 0 HA ASN C 13 -5.938 2.336 6.982 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.811 0.930 8.133 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -6.787 0.964 9.555 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.005 4.229 8.490 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -9.050 2.697 7.610 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.270 3.269 8.603 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.092 3.815 9.271 1.00 0.00 C ATOM 1821 C ILE C 14 -3.419 5.170 9.903 1.00 0.00 C ATOM 1822 O ILE C 14 -4.172 5.960 9.338 1.00 0.00 O ATOM 1823 CB ILE C 14 -1.961 4.004 8.243 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.589 2.660 7.599 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.735 4.653 8.908 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.465 2.799 6.570 1.00 0.00 C ATOM 0 H ILE C 14 -4.865 3.982 8.182 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.779 3.121 10.051 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.314 4.670 7.456 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.282 1.960 8.376 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.469 2.235 7.117 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.056 4.780 8.168 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.013 5.626 9.312 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.378 4.013 9.715 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.239 1.822 6.144 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.780 3.477 5.777 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.426 3.198 7.056 1.00 0.00 H new ATOM 1838 N GLY C 15 -2.842 5.428 11.079 1.00 0.00 N ATOM 1839 CA GLY C 15 -2.895 6.724 11.751 1.00 0.00 C ATOM 1840 C GLY C 15 -4.304 7.240 12.037 1.00 0.00 C ATOM 1841 O GLY C 15 -4.452 8.400 12.419 1.00 0.00 O ATOM 0 H GLY C 15 -2.315 4.727 11.599 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.352 6.651 12.693 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -2.372 7.457 11.137 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.329 6.403 11.857 1.00 0.00 N ATOM 1846 CA ASP C 16 -6.729 6.772 12.045 1.00 0.00 C ATOM 1847 C ASP C 16 -7.161 7.987 11.207 1.00 0.00 C ATOM 1848 O ASP C 16 -8.216 8.564 11.449 1.00 0.00 O ATOM 1849 CB ASP C 16 -7.009 6.947 13.541 1.00 0.00 C ATOM 1850 CG ASP C 16 -8.505 7.034 13.829 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -9.252 6.214 13.248 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -8.890 7.913 14.632 1.00 0.00 O ATOM 0 H ASP C 16 -5.204 5.432 11.571 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.348 5.958 11.667 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -6.581 6.110 14.092 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -6.516 7.850 13.900 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.349 8.375 10.216 1.00 0.00 N ATOM 1858 CA ASP C 17 -6.687 9.435 9.271 1.00 0.00 C ATOM 1859 C ASP C 17 -6.210 9.060 7.868 1.00 0.00 C ATOM 1860 O ASP C 17 -6.287 9.880 6.954 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.080 10.782 9.681 1.00 0.00 C ATOM 1862 CG ASP C 17 -6.612 11.280 11.022 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -7.790 11.706 11.048 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -5.846 11.233 12.008 1.00 0.00 O ATOM 0 H ASP C 17 -5.434 7.956 10.050 1.00 0.00 H new ATOM 0 HA ASP C 17 -7.772 9.542 9.275 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -4.996 10.686 9.737 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.295 11.523 8.911 1.00 0.00 H new ATOM 1869 N ILE C 18 -5.716 7.830 7.690 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.232 7.347 6.409 1.00 0.00 C ATOM 1871 C ILE C 18 -5.795 5.956 6.158 1.00 0.00 C ATOM 1872 O ILE C 18 -6.016 5.183 7.087 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.695 7.321 6.369 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.087 8.693 6.664 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.213 6.851 4.995 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -2.735 8.825 8.148 1.00 0.00 C ATOM 0 H ILE C 18 -5.644 7.143 8.441 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.568 8.026 5.625 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.367 6.628 7.144 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.192 8.836 6.059 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.791 9.476 6.382 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.123 6.836 4.977 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.593 5.848 4.800 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.579 7.533 4.228 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.304 9.809 8.334 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -3.637 8.705 8.748 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.013 8.055 8.420 1.00 0.00 H new ATOM 1888 N THR C 19 -6.031 5.642 4.885 1.00 0.00 N ATOM 1889 CA THR C 19 -6.540 4.350 4.469 1.00 0.00 C ATOM 1890 C THR C 19 -5.803 3.953 3.195 1.00 0.00 C ATOM 1891 O THR C 19 -5.352 4.818 2.446 1.00 0.00 O ATOM 1892 CB THR C 19 -8.054 4.442 4.238 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.668 5.132 5.305 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.692 3.060 4.146 1.00 0.00 C ATOM 0 H THR C 19 -5.871 6.288 4.112 1.00 0.00 H new ATOM 0 HA THR C 19 -6.373 3.593 5.235 1.00 0.00 H new ATOM 0 HB THR C 19 -8.202 4.972 3.297 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.634 5.186 5.147 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.765 3.165 3.982 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.250 2.510 3.315 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.518 2.516 5.075 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.684 2.649 2.955 1.00 0.00 N ATOM 1903 CA ILE C 20 -4.955 2.122 1.811 1.00 0.00 C ATOM 1904 C ILE C 20 -5.843 1.096 1.125 1.00 0.00 C ATOM 1905 O ILE C 20 -6.624 0.422 1.791 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.664 1.450 2.299 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.794 2.373 3.170 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.847 0.925 1.116 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.212 3.551 2.392 1.00 0.00 C ATOM 0 H ILE C 20 -6.092 1.929 3.551 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.695 2.921 1.116 1.00 0.00 H new ATOM 0 HB ILE C 20 -3.974 0.616 2.929 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.392 2.752 3.999 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -1.980 1.793 3.604 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.936 0.453 1.484 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.437 0.194 0.562 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.585 1.754 0.458 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.608 4.165 3.060 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.589 3.178 1.579 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.023 4.152 1.981 1.00 0.00 H new ATOM 1921 N THR C 21 -5.729 0.966 -0.200 1.00 0.00 N ATOM 1922 CA THR C 21 -6.502 -0.018 -0.945 1.00 0.00 C ATOM 1923 C THR C 21 -5.655 -0.600 -2.073 1.00 0.00 C ATOM 1924 O THR C 21 -5.111 0.138 -2.894 1.00 0.00 O ATOM 1925 CB THR C 21 -7.770 0.635 -1.512 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.484 1.299 -0.492 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.692 -0.420 -2.123 1.00 0.00 C ATOM 0 H THR C 21 -5.106 1.533 -0.775 1.00 0.00 H new ATOM 0 HA THR C 21 -6.794 -0.826 -0.274 1.00 0.00 H new ATOM 0 HB THR C 21 -7.458 1.347 -2.276 1.00 0.00 H new ATOM 0 HG1 THR C 21 -8.921 0.638 0.085 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.585 0.063 -2.519 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.170 -0.936 -2.929 1.00 0.00 H new ATOM 0 HG23 THR C 21 -8.979 -1.140 -1.357 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.547 -1.930 -2.101 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.856 -2.653 -3.158 1.00 0.00 C ATOM 1937 C ILE C 22 -5.802 -2.732 -4.354 1.00 0.00 C ATOM 1938 O ILE C 22 -6.647 -3.620 -4.438 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.393 -4.024 -2.630 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.924 -4.957 -3.750 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.475 -4.751 -1.827 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.867 -4.297 -4.623 1.00 0.00 C ATOM 0 H ILE C 22 -5.942 -2.536 -1.382 1.00 0.00 H new ATOM 0 HA ILE C 22 -3.949 -2.145 -3.485 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.555 -3.792 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.520 -5.872 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.776 -5.245 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.089 -5.710 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -5.760 -4.144 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.347 -4.917 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.558 -4.989 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.280 -3.396 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.004 -4.032 -4.012 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.660 -1.792 -5.294 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.612 -1.643 -6.385 1.00 0.00 C ATOM 1956 C LEU C 23 -6.516 -2.792 -7.383 1.00 0.00 C ATOM 1957 O LEU C 23 -7.496 -3.116 -8.053 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.372 -0.308 -7.096 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.280 0.870 -6.120 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.230 2.165 -6.911 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.475 0.953 -5.178 1.00 0.00 C ATOM 0 H LEU C 23 -4.890 -1.124 -5.316 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.616 -1.661 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.450 -0.369 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.181 -0.127 -7.804 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.382 0.716 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.164 3.009 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.357 2.159 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.133 2.258 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.354 1.806 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.389 1.074 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.538 0.038 -4.589 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.341 -3.412 -7.491 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.176 -4.569 -8.354 1.00 0.00 C ATOM 1975 C GLY C 24 -3.716 -4.976 -8.498 1.00 0.00 C ATOM 1976 O GLY C 24 -2.823 -4.322 -7.963 1.00 0.00 O ATOM 0 H GLY C 24 -4.497 -3.130 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.746 -5.405 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.588 -4.348 -9.338 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.480 -6.069 -9.228 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.142 -6.599 -9.459 1.00 0.00 C ATOM 1982 C VAL C 25 -1.940 -6.911 -10.940 1.00 0.00 C ATOM 1983 O VAL C 25 -2.890 -7.257 -11.642 1.00 0.00 O ATOM 1984 CB VAL C 25 -1.922 -7.834 -8.569 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -2.956 -8.925 -8.844 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -0.530 -8.420 -8.760 1.00 0.00 C ATOM 0 H VAL C 25 -4.219 -6.611 -9.676 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.396 -5.852 -9.189 1.00 0.00 H new ATOM 0 HB VAL C 25 -2.032 -7.490 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -2.765 -9.779 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -3.955 -8.537 -8.648 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -2.886 -9.238 -9.886 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -0.410 -9.291 -8.116 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.400 -8.718 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.219 -7.671 -8.501 1.00 0.00 H new ATOM 1996 N SER C 26 -0.695 -6.785 -11.404 1.00 0.00 N ATOM 1997 CA SER C 26 -0.321 -7.013 -12.791 1.00 0.00 C ATOM 1998 C SER C 26 1.129 -7.487 -12.846 1.00 0.00 C ATOM 1999 O SER C 26 2.045 -6.718 -13.142 1.00 0.00 O ATOM 2000 CB SER C 26 -0.528 -5.734 -13.609 1.00 0.00 C ATOM 2001 OG SER C 26 0.202 -4.667 -13.045 1.00 0.00 O ATOM 0 H SER C 26 0.091 -6.517 -10.812 1.00 0.00 H new ATOM 0 HA SER C 26 -0.954 -7.786 -13.227 1.00 0.00 H new ATOM 0 HB2 SER C 26 -0.209 -5.897 -14.638 1.00 0.00 H new ATOM 0 HB3 SER C 26 -1.588 -5.482 -13.640 1.00 0.00 H new ATOM 0 HG SER C 26 1.087 -4.985 -12.771 1.00 0.00 H new ATOM 2007 N GLY C 27 1.337 -8.772 -12.550 1.00 0.00 N ATOM 2008 CA GLY C 27 2.673 -9.334 -12.508 1.00 0.00 C ATOM 2009 C GLY C 27 3.435 -8.769 -11.316 1.00 0.00 C ATOM 2010 O GLY C 27 2.863 -8.571 -10.244 1.00 0.00 O ATOM 0 H GLY C 27 0.593 -9.436 -12.337 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.618 -10.420 -12.434 1.00 0.00 H new ATOM 0 HA3 GLY C 27 3.203 -9.104 -13.432 1.00 0.00 H new ATOM 2014 N GLN C 28 4.729 -8.508 -11.501 1.00 0.00 N ATOM 2015 CA GLN C 28 5.555 -7.932 -10.452 1.00 0.00 C ATOM 2016 C GLN C 28 5.118 -6.508 -10.114 1.00 0.00 C ATOM 2017 O GLN C 28 5.583 -5.965 -9.115 1.00 0.00 O ATOM 2018 CB GLN C 28 7.025 -7.949 -10.882 1.00 0.00 C ATOM 2019 CG GLN C 28 7.664 -9.324 -10.659 1.00 0.00 C ATOM 2020 CD GLN C 28 6.778 -10.468 -11.145 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.662 -10.712 -12.345 1.00 0.00 O ATOM 2022 NE2 GLN C 28 6.146 -11.176 -10.206 1.00 0.00 N ATOM 0 H GLN C 28 5.225 -8.689 -12.374 1.00 0.00 H new ATOM 0 HA GLN C 28 5.433 -8.536 -9.553 1.00 0.00 H new ATOM 0 HB2 GLN C 28 7.099 -7.680 -11.936 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.577 -7.195 -10.321 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.621 -9.364 -11.179 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.872 -9.456 -9.597 1.00 0.00 H new ATOM 0 HE21 GLN C 28 6.269 -10.941 -9.221 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.540 -11.952 -10.474 1.00 0.00 H new ATOM 2031 N GLN C 29 4.240 -5.896 -10.916 1.00 0.00 N ATOM 2032 CA GLN C 29 3.753 -4.561 -10.628 1.00 0.00 C ATOM 2033 C GLN C 29 2.400 -4.649 -9.938 1.00 0.00 C ATOM 2034 O GLN C 29 1.617 -5.566 -10.181 1.00 0.00 O ATOM 2035 CB GLN C 29 3.682 -3.752 -11.923 1.00 0.00 C ATOM 2036 CG GLN C 29 3.294 -2.304 -11.627 1.00 0.00 C ATOM 2037 CD GLN C 29 3.482 -1.421 -12.849 1.00 0.00 C ATOM 2038 OE1 GLN C 29 4.344 -0.551 -12.865 1.00 0.00 O ATOM 2039 NE2 GLN C 29 2.676 -1.638 -13.881 1.00 0.00 N ATOM 0 H GLN C 29 3.858 -6.311 -11.766 1.00 0.00 H new ATOM 0 HA GLN C 29 4.438 -4.048 -9.952 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.647 -3.780 -12.430 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.953 -4.199 -12.599 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.254 -2.263 -11.303 1.00 0.00 H new ATOM 0 HG3 GLN C 29 3.900 -1.924 -10.804 1.00 0.00 H new ATOM 0 HE21 GLN C 29 1.970 -2.372 -13.831 1.00 0.00 H new ATOM 0 HE22 GLN C 29 2.763 -1.071 -14.724 1.00 0.00 H new ATOM 2048 N VAL C 30 2.134 -3.674 -9.072 1.00 0.00 N ATOM 2049 CA VAL C 30 0.910 -3.633 -8.293 1.00 0.00 C ATOM 2050 C VAL C 30 0.390 -2.202 -8.298 1.00 0.00 C ATOM 2051 O VAL C 30 1.183 -1.268 -8.175 1.00 0.00 O ATOM 2052 CB VAL C 30 1.231 -4.094 -6.864 1.00 0.00 C ATOM 2053 CG1 VAL C 30 -0.035 -4.245 -6.041 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.930 -5.455 -6.864 1.00 0.00 C ATOM 0 H VAL C 30 2.765 -2.892 -8.894 1.00 0.00 H new ATOM 0 HA VAL C 30 0.147 -4.289 -8.712 1.00 0.00 H new ATOM 0 HB VAL C 30 1.880 -3.331 -6.434 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.223 -4.572 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.552 -3.287 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.686 -4.984 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.144 -5.754 -5.838 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.282 -6.197 -7.330 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.863 -5.385 -7.424 1.00 0.00 H new ATOM 2064 N ARG C 31 -0.927 -2.020 -8.441 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.521 -0.692 -8.416 1.00 0.00 C ATOM 2066 C ARG C 31 -2.202 -0.513 -7.066 1.00 0.00 C ATOM 2067 O ARG C 31 -3.014 -1.342 -6.654 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.506 -0.501 -9.575 1.00 0.00 C ATOM 2069 CG ARG C 31 -2.755 1.000 -9.779 1.00 0.00 C ATOM 2070 CD ARG C 31 -3.871 1.279 -10.789 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.629 0.623 -12.082 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.350 1.257 -13.227 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.218 2.579 -13.272 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.198 0.557 -14.350 1.00 0.00 N ATOM 0 H ARG C 31 -1.596 -2.779 -8.575 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.749 0.067 -8.544 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.104 -0.943 -10.487 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.444 -1.012 -9.359 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.013 1.455 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.835 1.474 -10.120 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.821 0.935 -10.381 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -3.960 2.355 -10.941 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.678 -0.395 -12.109 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.330 3.132 -12.422 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.005 3.040 -14.156 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.294 -0.458 -14.335 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -2.985 1.036 -15.225 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.859 0.580 -6.389 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.269 0.804 -5.015 1.00 0.00 C ATOM 2090 C ILE C 32 -2.826 2.215 -4.888 1.00 0.00 C ATOM 2091 O ILE C 32 -2.451 3.100 -5.657 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.064 0.610 -4.076 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.109 -0.482 -4.588 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.573 0.271 -2.669 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.043 -0.759 -3.621 1.00 0.00 C ATOM 0 H ILE C 32 -1.290 1.331 -6.781 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.042 0.089 -4.735 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.494 1.539 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.670 -1.402 -4.751 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.297 -0.180 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.725 0.132 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.196 1.086 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.160 -0.647 -2.706 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.685 -1.538 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.624 0.152 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.642 -1.089 -2.663 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.718 2.421 -3.921 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.323 3.717 -3.680 1.00 0.00 C ATOM 2109 C GLY C 33 -4.161 4.104 -2.217 1.00 0.00 C ATOM 2110 O GLY C 33 -4.018 3.243 -1.350 1.00 0.00 O ATOM 0 H GLY C 33 -4.038 1.690 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -3.857 4.469 -4.317 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.381 3.688 -3.942 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.189 5.411 -1.955 1.00 0.00 N ATOM 2115 CA ILE C 34 -4.021 5.966 -0.620 1.00 0.00 C ATOM 2116 C ILE C 34 -5.078 7.040 -0.427 1.00 0.00 C ATOM 2117 O ILE C 34 -5.419 7.751 -1.369 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.612 6.551 -0.472 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.554 5.484 -0.789 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.421 7.083 0.950 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.142 6.068 -0.791 1.00 0.00 C ATOM 0 H ILE C 34 -4.331 6.119 -2.675 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.139 5.192 0.139 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.493 7.373 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.615 4.682 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.765 5.040 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.418 7.498 1.052 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.158 7.861 1.149 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.551 6.269 1.663 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.577 5.281 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.074 6.852 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.079 6.488 0.190 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.596 7.162 0.795 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.634 8.126 1.096 1.00 0.00 C ATOM 2135 C ASN C 35 -6.336 8.783 2.435 1.00 0.00 C ATOM 2136 O ASN C 35 -6.451 8.149 3.480 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.985 7.404 1.092 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.161 8.365 1.197 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -8.980 9.577 1.288 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.375 7.827 1.180 1.00 0.00 N ATOM 0 H ASN C 35 -5.306 6.597 1.593 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.668 8.916 0.346 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.078 6.820 0.176 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.020 6.701 1.924 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.199 8.425 1.244 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.484 6.816 1.103 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.952 10.058 2.384 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.580 10.833 3.556 1.00 0.00 C ATOM 2149 C ALA C 36 -5.829 12.317 3.289 1.00 0.00 C ATOM 2150 O ALA C 36 -5.901 12.724 2.126 1.00 0.00 O ATOM 2151 CB ALA C 36 -4.093 10.604 3.820 1.00 0.00 C ATOM 0 H ALA C 36 -5.891 10.585 1.513 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.172 10.526 4.418 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.787 11.175 4.696 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.914 9.544 3.998 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.516 10.929 2.955 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.959 13.134 4.343 1.00 0.00 N ATOM 2158 CA PRO C 37 -6.071 14.578 4.216 1.00 0.00 C ATOM 2159 C PRO C 37 -4.780 15.165 3.658 1.00 0.00 C ATOM 2160 O PRO C 37 -3.709 14.590 3.857 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.323 15.078 5.640 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.780 13.976 6.549 1.00 0.00 C ATOM 2163 CD PRO C 37 -6.002 12.714 5.730 1.00 0.00 C ATOM 0 HA PRO C 37 -6.867 14.873 3.533 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.815 16.025 5.821 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.385 15.247 5.817 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.725 14.127 6.780 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.312 13.939 7.500 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.232 11.971 5.938 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.961 12.255 5.971 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.865 16.307 2.961 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.670 17.022 2.517 1.00 0.00 C ATOM 2173 C LYS C 38 -2.866 17.514 3.725 1.00 0.00 C ATOM 2174 O LYS C 38 -1.809 18.119 3.566 1.00 0.00 O ATOM 2175 CB LYS C 38 -4.045 18.189 1.595 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.612 17.754 0.239 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.615 16.919 -0.564 1.00 0.00 C ATOM 2178 CE LYS C 38 -3.830 17.127 -2.063 1.00 0.00 C ATOM 2179 NZ LYS C 38 -3.421 18.482 -2.488 1.00 0.00 N ATOM 0 H LYS C 38 -5.745 16.750 2.696 1.00 0.00 H new ATOM 0 HA LYS C 38 -3.046 16.334 1.947 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.779 18.816 2.100 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.161 18.805 1.427 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.523 17.176 0.397 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -4.890 18.637 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.597 17.199 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -3.732 15.864 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -3.260 16.383 -2.620 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -4.881 16.971 -2.306 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -3.190 18.473 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -4.200 19.149 -2.317 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -2.585 18.779 -1.945 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.379 17.251 4.934 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.705 17.531 6.189 1.00 0.00 C ATOM 2195 C ASP C 39 -1.458 16.655 6.335 1.00 0.00 C ATOM 2196 O ASP C 39 -0.643 16.877 7.233 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.680 17.230 7.326 1.00 0.00 C ATOM 2198 CG ASP C 39 -3.227 17.860 8.640 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -3.059 19.102 8.663 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -3.049 17.096 9.616 1.00 0.00 O ATOM 0 H ASP C 39 -4.298 16.827 5.059 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.393 18.575 6.216 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -4.670 17.604 7.065 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -3.770 16.151 7.452 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.320 15.664 5.451 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.189 14.751 5.403 1.00 0.00 C ATOM 2207 C VAL C 40 0.194 14.543 3.939 1.00 0.00 C ATOM 2208 O VAL C 40 -0.544 14.950 3.041 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.538 13.417 6.087 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -1.089 13.658 7.496 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.574 12.616 5.305 1.00 0.00 C ATOM 0 H VAL C 40 -2.016 15.474 4.730 1.00 0.00 H new ATOM 0 HA VAL C 40 0.658 15.173 5.944 1.00 0.00 H new ATOM 0 HB VAL C 40 0.390 12.847 6.130 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.329 12.702 7.961 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.340 14.176 8.096 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.990 14.268 7.435 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.785 11.684 5.830 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.491 13.198 5.215 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.187 12.393 4.311 1.00 0.00 H new ATOM 2221 N ALA C 41 1.343 13.918 3.687 1.00 0.00 N ATOM 2222 CA ALA C 41 1.835 13.759 2.329 1.00 0.00 C ATOM 2223 C ALA C 41 2.022 12.286 1.990 1.00 0.00 C ATOM 2224 O ALA C 41 2.202 11.460 2.882 1.00 0.00 O ATOM 2225 CB ALA C 41 3.139 14.542 2.172 1.00 0.00 C ATOM 0 H ALA C 41 1.945 13.516 4.406 1.00 0.00 H new ATOM 0 HA ALA C 41 1.102 14.157 1.628 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.513 14.426 1.155 1.00 0.00 H new ATOM 0 HB2 ALA C 41 2.956 15.598 2.373 1.00 0.00 H new ATOM 0 HB3 ALA C 41 3.879 14.161 2.876 1.00 0.00 H new ATOM 2231 N VAL C 42 1.971 11.961 0.694 1.00 0.00 N ATOM 2232 CA VAL C 42 2.098 10.589 0.224 1.00 0.00 C ATOM 2233 C VAL C 42 2.860 10.562 -1.097 1.00 0.00 C ATOM 2234 O VAL C 42 2.510 11.283 -2.029 1.00 0.00 O ATOM 2235 CB VAL C 42 0.705 9.950 0.055 1.00 0.00 C ATOM 2236 CG1 VAL C 42 -0.136 10.092 1.322 1.00 0.00 C ATOM 2237 CG2 VAL C 42 -0.115 10.579 -1.075 1.00 0.00 C ATOM 0 H VAL C 42 1.841 12.644 -0.052 1.00 0.00 H new ATOM 0 HA VAL C 42 2.654 10.012 0.963 1.00 0.00 H new ATOM 0 HB VAL C 42 0.913 8.905 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -1.111 9.630 1.165 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.370 9.599 2.152 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.268 11.149 1.554 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -1.084 10.084 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -0.263 11.639 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.417 10.462 -2.019 1.00 0.00 H new ATOM 2247 N HIS C 43 3.906 9.733 -1.191 1.00 0.00 N ATOM 2248 CA HIS C 43 4.637 9.539 -2.439 1.00 0.00 C ATOM 2249 C HIS C 43 5.347 8.190 -2.414 1.00 0.00 C ATOM 2250 O HIS C 43 5.618 7.657 -1.339 1.00 0.00 O ATOM 2251 CB HIS C 43 5.699 10.627 -2.647 1.00 0.00 C ATOM 2252 CG HIS C 43 5.393 11.982 -2.063 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.709 13.004 -2.727 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.734 12.407 -0.812 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.648 14.019 -1.849 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.257 13.689 -0.694 1.00 0.00 N ATOM 0 H HIS C 43 4.264 9.184 -0.409 1.00 0.00 H new ATOM 0 HA HIS C 43 3.912 9.586 -3.252 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.638 10.275 -2.219 1.00 0.00 H new ATOM 0 HB3 HIS C 43 5.862 10.745 -3.718 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.336 12.984 -3.676 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.273 11.846 -0.063 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.175 14.970 -2.043 1.00 0.00 H new ATOM 2264 N ARG C 44 5.657 7.632 -3.588 1.00 0.00 N ATOM 2265 CA ARG C 44 6.516 6.455 -3.650 1.00 0.00 C ATOM 2266 C ARG C 44 7.895 6.859 -3.124 1.00 0.00 C ATOM 2267 O ARG C 44 8.252 8.035 -3.167 1.00 0.00 O ATOM 2268 CB ARG C 44 6.550 5.892 -5.077 1.00 0.00 C ATOM 2269 CG ARG C 44 6.963 6.942 -6.107 1.00 0.00 C ATOM 2270 CD ARG C 44 6.837 6.373 -7.522 1.00 0.00 C ATOM 2271 NE ARG C 44 6.986 7.439 -8.521 1.00 0.00 N ATOM 2272 CZ ARG C 44 6.030 8.319 -8.820 1.00 0.00 C ATOM 2273 NH1 ARG C 44 4.825 8.230 -8.263 1.00 0.00 N ATOM 2274 NH2 ARG C 44 6.266 9.299 -9.686 1.00 0.00 N ATOM 0 H ARG C 44 5.330 7.972 -4.492 1.00 0.00 H new ATOM 0 HA ARG C 44 6.133 5.647 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.246 5.054 -5.118 1.00 0.00 H new ATOM 0 HB3 ARG C 44 5.565 5.502 -5.334 1.00 0.00 H new ATOM 0 HG2 ARG C 44 6.335 7.827 -6.006 1.00 0.00 H new ATOM 0 HG3 ARG C 44 7.990 7.257 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG C 44 7.597 5.608 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG C 44 5.868 5.889 -7.640 1.00 0.00 H new ATOM 0 HE ARG C 44 7.875 7.511 -9.016 1.00 0.00 H new ATOM 0 HH11 ARG C 44 4.624 7.482 -7.599 1.00 0.00 H new ATOM 0 HH12 ARG C 44 4.102 8.909 -8.500 1.00 0.00 H new ATOM 0 HH21 ARG C 44 7.183 9.381 -10.126 1.00 0.00 H new ATOM 0 HH22 ARG C 44 5.531 9.969 -9.911 1.00 0.00 H new ATOM 2288 N GLU C 45 8.670 5.891 -2.626 1.00 0.00 N ATOM 2289 CA GLU C 45 9.905 6.195 -1.913 1.00 0.00 C ATOM 2290 C GLU C 45 10.904 6.983 -2.763 1.00 0.00 C ATOM 2291 O GLU C 45 11.763 7.663 -2.210 1.00 0.00 O ATOM 2292 CB GLU C 45 10.534 4.910 -1.373 1.00 0.00 C ATOM 2293 CG GLU C 45 11.261 5.194 -0.060 1.00 0.00 C ATOM 2294 CD GLU C 45 12.126 4.010 0.372 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.067 3.673 -0.385 1.00 0.00 O ATOM 2296 OE2 GLU C 45 11.842 3.453 1.454 1.00 0.00 O ATOM 0 H GLU C 45 8.462 4.896 -2.705 1.00 0.00 H new ATOM 0 HA GLU C 45 9.642 6.841 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.762 4.157 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU C 45 11.232 4.503 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU C 45 11.886 6.080 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU C 45 10.532 5.416 0.719 1.00 0.00 H new ATOM 2303 N GLU C 46 10.811 6.905 -4.094 1.00 0.00 N ATOM 2304 CA GLU C 46 11.704 7.670 -4.955 1.00 0.00 C ATOM 2305 C GLU C 46 11.399 9.161 -4.870 1.00 0.00 C ATOM 2306 O GLU C 46 12.299 9.963 -4.623 1.00 0.00 O ATOM 2307 CB GLU C 46 11.553 7.215 -6.408 1.00 0.00 C ATOM 2308 CG GLU C 46 12.154 5.831 -6.631 1.00 0.00 C ATOM 2309 CD GLU C 46 13.647 5.809 -6.298 1.00 0.00 C ATOM 2310 OE1 GLU C 46 14.344 6.774 -6.683 1.00 0.00 O ATOM 2311 OE2 GLU C 46 14.082 4.824 -5.659 1.00 0.00 O ATOM 0 H GLU C 46 10.133 6.326 -4.590 1.00 0.00 H new ATOM 0 HA GLU C 46 12.725 7.495 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU C 46 10.497 7.201 -6.677 1.00 0.00 H new ATOM 0 HB3 GLU C 46 12.040 7.934 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU C 46 11.631 5.102 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU C 46 12.007 5.532 -7.669 1.00 0.00 H new ATOM 2318 N ILE C 47 10.134 9.537 -5.075 1.00 0.00 N ATOM 2319 CA ILE C 47 9.742 10.941 -5.080 1.00 0.00 C ATOM 2320 C ILE C 47 9.940 11.539 -3.694 1.00 0.00 C ATOM 2321 O ILE C 47 10.152 12.742 -3.555 1.00 0.00 O ATOM 2322 CB ILE C 47 8.278 11.066 -5.520 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.008 10.312 -6.827 1.00 0.00 C ATOM 2324 CG2 ILE C 47 7.895 12.537 -5.688 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.001 10.656 -7.937 1.00 0.00 C ATOM 0 H ILE C 47 9.367 8.885 -5.239 1.00 0.00 H new ATOM 0 HA ILE C 47 10.366 11.490 -5.785 1.00 0.00 H new ATOM 0 HB ILE C 47 7.667 10.616 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.045 9.240 -6.635 1.00 0.00 H new ATOM 0 HG13 ILE C 47 6.998 10.540 -7.168 1.00 0.00 H new ATOM 0 HG21 ILE C 47 6.853 12.608 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.026 13.058 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.533 12.995 -6.444 1.00 0.00 H new ATOM 0 HD11 ILE C 47 8.754 10.089 -8.835 1.00 0.00 H new ATOM 0 HD12 ILE C 47 8.947 11.723 -8.156 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.011 10.402 -7.614 1.00 0.00 H new ATOM 2337 N TYR C 48 9.874 10.699 -2.663 1.00 0.00 N ATOM 2338 CA TYR C 48 10.068 11.126 -1.294 1.00 0.00 C ATOM 2339 C TYR C 48 11.480 11.670 -1.094 1.00 0.00 C ATOM 2340 O TYR C 48 11.676 12.653 -0.382 1.00 0.00 O ATOM 2341 CB TYR C 48 9.817 9.918 -0.396 1.00 0.00 C ATOM 2342 CG TYR C 48 9.914 10.197 1.085 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.934 10.976 1.713 1.00 0.00 C ATOM 2344 CD2 TYR C 48 10.981 9.670 1.829 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.999 11.208 3.093 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.041 9.875 3.213 1.00 0.00 C ATOM 2347 CZ TYR C 48 10.046 10.644 3.853 1.00 0.00 C ATOM 2348 OH TYR C 48 10.101 10.847 5.201 1.00 0.00 O ATOM 0 H TYR C 48 9.684 9.702 -2.762 1.00 0.00 H new ATOM 0 HA TYR C 48 9.377 11.931 -1.044 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.825 9.522 -0.612 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.534 9.138 -0.652 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.127 11.398 1.133 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.757 9.106 1.333 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.249 11.818 3.575 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.847 9.445 3.789 1.00 0.00 H new ATOM 0 HH TYR C 48 10.885 10.388 5.569 1.00 0.00 H new