USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=26 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: B 25 ASN : amide:sc= -1.81! K(o=-1.9!,f=-0.041) USER MOD Set 1.2: B 29 LYS NZ :NH3+ -166:sc= -0.04 (180deg=-0.27) USER MOD Single : A 1 MET CE :methyl -149:sc= -4.33! (180deg=-6.37!) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.473 (180deg=-2.07!) USER MOD Single : A 2 GLN : amide:sc= -3.12! K(o=-3.1!,f=-1.8) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.0372 (180deg=-0.227) USER MOD Single : A 7 THR OG1 : rot -71:sc= 0.867 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= -0.0398 (180deg=-0.326) 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= -0.471 USER MOD Single : A 25 ASN : amide:sc= -2.7! K(o=-2.7!,f=-0.014) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0676) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0339 (180deg=-0.262) USER MOD Single : A 31 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= -2.53! (180deg=-4.79!) USER MOD Single : A 40 GLN : amide:sc= -13.4! C(o=-13!,f=-7.5!) USER MOD Single : A 41 GLN : amide:sc= -4.61! C(o=-4.6!,f=-6.8!) USER MOD Single : B 1 MET CE :methyl -169:sc= -1.42 (180deg=-2.5) USER MOD Single : B 1 MET N :NH3+ 152:sc= -0.0477 (180deg=-1.32) USER MOD Single : B 2 GLN : amide:sc= -3.41! K(o=-3.4!,f=-1) USER MOD Single : B 6 LYS NZ :NH3+ -168:sc= -0.0116 (180deg=-0.206) USER MOD Single : B 7 THR OG1 : rot -66:sc= 1.05 USER MOD Single : B 9 THR OG1 : rot 180:sc= -0.0271 USER MOD Single : B 11 LYS NZ :NH3+ 164:sc= -0.0602 (180deg=-0.351) 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= -0.0631 USER MOD Single : B 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0423) USER MOD Single : B 31 GLN : amide:sc= -4.11! C(o=-4.1!,f=-1.8!) USER MOD Single : B 33 LYS NZ :NH3+ 137:sc= -0.0768 (180deg=-0.412) USER MOD Single : B 40 GLN : amide:sc= -9.76! C(o=-9.8!,f=-6.6!) USER MOD Single : B 41 GLN : amide:sc= -4.07! C(o=-4.1!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 1 2.119 -4.303 -11.360 1.00 0.00 N ATOM 22 CA MET A 1 1.592 -2.979 -11.055 1.00 0.00 C ATOM 23 C MET A 1 2.623 -2.130 -10.316 1.00 0.00 C ATOM 24 O MET A 1 2.983 -2.414 -9.174 1.00 0.00 O ATOM 25 CB MET A 1 0.310 -3.088 -10.229 1.00 0.00 C ATOM 26 CG MET A 1 0.447 -3.977 -9.006 1.00 0.00 C ATOM 27 SD MET A 1 -1.038 -3.997 -7.987 1.00 0.00 S ATOM 28 CE MET A 1 -1.061 -2.306 -7.403 1.00 0.00 C ATOM 0 H1 MET A 1 1.338 -4.989 -11.393 1.00 0.00 H new ATOM 0 H2 MET A 1 2.600 -4.281 -12.282 1.00 0.00 H new ATOM 0 H3 MET A 1 2.796 -4.585 -10.623 1.00 0.00 H new ATOM 0 HA MET A 1 1.362 -2.488 -12.000 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.007 -2.090 -9.910 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.488 -3.476 -10.862 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.677 -4.994 -9.325 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.289 -3.634 -8.406 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.512 -2.270 -6.412 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.041 -1.925 -7.352 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.644 -1.692 -8.090 1.00 0.00 H new ATOM 38 N GLN A 2 3.090 -1.087 -10.988 1.00 0.00 N ATOM 39 CA GLN A 2 4.078 -0.175 -10.430 1.00 0.00 C ATOM 40 C GLN A 2 3.521 0.543 -9.197 1.00 0.00 C ATOM 41 O GLN A 2 2.501 1.228 -9.275 1.00 0.00 O ATOM 42 CB GLN A 2 4.474 0.825 -11.517 1.00 0.00 C ATOM 43 CG GLN A 2 5.617 1.744 -11.147 1.00 0.00 C ATOM 44 CD GLN A 2 6.085 2.568 -12.331 1.00 0.00 C ATOM 45 OE1 GLN A 2 6.637 2.033 -13.293 1.00 0.00 O ATOM 46 NE2 GLN A 2 5.850 3.872 -12.277 1.00 0.00 N ATOM 0 H GLN A 2 2.795 -0.849 -11.935 1.00 0.00 H new ATOM 0 HA GLN A 2 4.957 -0.732 -10.106 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.746 0.273 -12.417 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.604 1.432 -11.767 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.302 2.409 -10.343 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.449 1.153 -10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.390 4.274 -11.460 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.129 4.473 -13.052 1.00 0.00 H new ATOM 55 N ILE A 3 4.192 0.368 -8.056 1.00 0.00 N ATOM 56 CA ILE A 3 3.755 0.983 -6.801 1.00 0.00 C ATOM 57 C ILE A 3 4.541 2.252 -6.475 1.00 0.00 C ATOM 58 O ILE A 3 5.747 2.331 -6.712 1.00 0.00 O ATOM 59 CB ILE A 3 3.888 0.004 -5.615 1.00 0.00 C ATOM 60 CG1 ILE A 3 5.356 -0.344 -5.358 1.00 0.00 C ATOM 61 CG2 ILE A 3 3.082 -1.258 -5.880 1.00 0.00 C ATOM 62 CD1 ILE A 3 5.562 -1.227 -4.145 1.00 0.00 C ATOM 0 H ILE A 3 5.039 -0.194 -7.976 1.00 0.00 H new ATOM 0 HA ILE A 3 2.707 1.244 -6.946 1.00 0.00 H new ATOM 0 HB ILE A 3 3.493 0.491 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.762 -0.846 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.923 0.578 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.185 -1.939 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.032 -0.998 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.451 -1.742 -6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.625 -1.434 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.186 -0.719 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.023 -2.165 -4.282 1.00 0.00 H new ATOM 74 N PHE A 4 3.846 3.238 -5.908 1.00 0.00 N ATOM 75 CA PHE A 4 4.468 4.502 -5.522 1.00 0.00 C ATOM 76 C PHE A 4 4.987 4.416 -4.088 1.00 0.00 C ATOM 77 O PHE A 4 4.295 3.915 -3.202 1.00 0.00 O ATOM 78 CB PHE A 4 3.468 5.658 -5.640 1.00 0.00 C ATOM 79 CG PHE A 4 2.999 5.929 -7.044 1.00 0.00 C ATOM 80 CD1 PHE A 4 2.450 4.919 -7.820 1.00 0.00 C ATOM 81 CD2 PHE A 4 3.102 7.200 -7.584 1.00 0.00 C ATOM 82 CE1 PHE A 4 2.015 5.173 -9.106 1.00 0.00 C ATOM 83 CE2 PHE A 4 2.668 7.460 -8.870 1.00 0.00 C ATOM 84 CZ PHE A 4 2.124 6.446 -9.633 1.00 0.00 C ATOM 0 H PHE A 4 2.848 3.184 -5.706 1.00 0.00 H new ATOM 0 HA PHE A 4 5.302 4.691 -6.197 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.602 5.439 -5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.927 6.563 -5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.362 3.922 -7.414 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.527 7.998 -6.993 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.590 4.377 -9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.754 8.456 -9.278 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.785 6.647 -10.638 1.00 0.00 H new ATOM 94 N VAL A 5 6.207 4.903 -3.860 1.00 0.00 N ATOM 95 CA VAL A 5 6.803 4.868 -2.525 1.00 0.00 C ATOM 96 C VAL A 5 7.741 6.054 -2.301 1.00 0.00 C ATOM 97 O VAL A 5 8.585 6.361 -3.143 1.00 0.00 O ATOM 98 CB VAL A 5 7.594 3.563 -2.293 1.00 0.00 C ATOM 99 CG1 VAL A 5 8.215 3.551 -0.903 1.00 0.00 C ATOM 100 CG2 VAL A 5 6.705 2.345 -2.494 1.00 0.00 C ATOM 0 H VAL A 5 6.798 5.324 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 5 5.976 4.921 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 5 8.397 3.520 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.768 2.623 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.894 4.397 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.428 3.624 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.286 1.438 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.874 2.380 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.317 2.342 -3.512 1.00 0.00 H new ATOM 110 N LYS A 6 7.587 6.710 -1.154 1.00 0.00 N ATOM 111 CA LYS A 6 8.417 7.858 -0.804 1.00 0.00 C ATOM 112 C LYS A 6 9.635 7.417 0.003 1.00 0.00 C ATOM 113 O LYS A 6 9.500 6.704 0.998 1.00 0.00 O ATOM 114 CB LYS A 6 7.606 8.871 0.006 1.00 0.00 C ATOM 115 CG LYS A 6 6.333 9.334 -0.684 1.00 0.00 C ATOM 116 CD LYS A 6 6.632 10.078 -1.974 1.00 0.00 C ATOM 117 CE LYS A 6 5.355 10.542 -2.653 1.00 0.00 C ATOM 118 NZ LYS A 6 4.485 9.398 -3.040 1.00 0.00 N ATOM 0 H LYS A 6 6.892 6.465 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 6 8.757 8.325 -1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.346 8.428 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.231 9.739 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.701 8.472 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.770 9.982 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.266 10.938 -1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.190 9.430 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.807 11.204 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.606 11.123 -3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.742 9.731 -3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.058 8.671 -3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.047 8.992 -2.189 1.00 0.00 H new ATOM 132 N THR A 7 10.819 7.849 -0.416 1.00 0.00 N ATOM 133 CA THR A 7 12.047 7.498 0.288 1.00 0.00 C ATOM 134 C THR A 7 12.208 8.336 1.553 1.00 0.00 C ATOM 135 O THR A 7 11.229 8.848 2.097 1.00 0.00 O ATOM 136 CB THR A 7 13.291 7.679 -0.603 1.00 0.00 C ATOM 137 OG1 THR A 7 13.357 9.025 -1.088 1.00 0.00 O ATOM 138 CG2 THR A 7 13.265 6.708 -1.774 1.00 0.00 C ATOM 0 H THR A 7 10.955 8.440 -1.236 1.00 0.00 H new ATOM 0 HA THR A 7 11.965 6.445 0.557 1.00 0.00 H new ATOM 0 HB THR A 7 14.175 7.470 -0.001 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.647 9.170 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.153 6.855 -2.388 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.249 5.685 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.374 6.887 -2.376 1.00 0.00 H new ATOM 146 N LEU A 8 13.446 8.468 2.020 1.00 0.00 N ATOM 147 CA LEU A 8 13.728 9.240 3.224 1.00 0.00 C ATOM 148 C LEU A 8 13.851 10.730 2.919 1.00 0.00 C ATOM 149 O LEU A 8 13.182 11.556 3.542 1.00 0.00 O ATOM 150 CB LEU A 8 15.009 8.734 3.884 1.00 0.00 C ATOM 151 CG LEU A 8 14.974 7.266 4.311 1.00 0.00 C ATOM 152 CD1 LEU A 8 16.225 6.916 5.098 1.00 0.00 C ATOM 153 CD2 LEU A 8 13.727 6.975 5.128 1.00 0.00 C ATOM 0 H LEU A 8 14.268 8.051 1.583 1.00 0.00 H new ATOM 0 HA LEU A 8 12.891 9.107 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.839 8.877 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.216 9.348 4.761 1.00 0.00 H new ATOM 0 HG LEU A 8 14.945 6.646 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.186 5.868 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.105 7.085 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.283 7.544 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.721 5.925 5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.722 7.602 6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.842 7.189 4.529 1.00 0.00 H new ATOM 165 N THR A 9 14.712 11.069 1.966 1.00 0.00 N ATOM 166 CA THR A 9 14.926 12.462 1.589 1.00 0.00 C ATOM 167 C THR A 9 13.746 13.017 0.798 1.00 0.00 C ATOM 168 O THR A 9 13.285 14.129 1.052 1.00 0.00 O ATOM 169 CB THR A 9 16.209 12.625 0.754 1.00 0.00 C ATOM 170 OG1 THR A 9 16.118 11.841 -0.442 1.00 0.00 O ATOM 171 CG2 THR A 9 17.432 12.202 1.552 1.00 0.00 C ATOM 0 H THR A 9 15.273 10.399 1.440 1.00 0.00 H new ATOM 0 HA THR A 9 15.027 13.023 2.518 1.00 0.00 H new ATOM 0 HB THR A 9 16.314 13.678 0.491 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.937 11.951 -0.969 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.326 12.326 0.941 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.515 12.820 2.446 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.333 11.156 1.842 1.00 0.00 H new ATOM 179 N GLY A 10 13.267 12.239 -0.168 1.00 0.00 N ATOM 180 CA GLY A 10 12.150 12.676 -0.986 1.00 0.00 C ATOM 181 C GLY A 10 12.029 11.878 -2.269 1.00 0.00 C ATOM 182 O GLY A 10 10.939 11.748 -2.827 1.00 0.00 O ATOM 0 H GLY A 10 13.632 11.315 -0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.226 12.583 -0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.271 13.732 -1.228 1.00 0.00 H new ATOM 186 N LYS A 11 13.159 11.353 -2.736 1.00 0.00 N ATOM 187 CA LYS A 11 13.204 10.568 -3.967 1.00 0.00 C ATOM 188 C LYS A 11 12.042 9.585 -4.059 1.00 0.00 C ATOM 189 O LYS A 11 11.777 8.825 -3.129 1.00 0.00 O ATOM 190 CB LYS A 11 14.531 9.806 -4.052 1.00 0.00 C ATOM 191 CG LYS A 11 14.540 8.697 -5.095 1.00 0.00 C ATOM 192 CD LYS A 11 14.333 9.241 -6.497 1.00 0.00 C ATOM 193 CE LYS A 11 15.500 10.107 -6.939 1.00 0.00 C ATOM 194 NZ LYS A 11 16.783 9.351 -6.948 1.00 0.00 N ATOM 0 H LYS A 11 14.063 11.458 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 11 13.120 11.263 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.330 10.512 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.754 9.375 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.489 8.162 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.756 7.976 -4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.209 8.413 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.413 9.825 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.303 10.499 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.589 10.964 -6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.491 9.876 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.123 9.233 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.632 8.416 -7.378 1.00 0.00 H new ATOM 208 N THR A 12 11.365 9.599 -5.200 1.00 0.00 N ATOM 209 CA THR A 12 10.248 8.699 -5.439 1.00 0.00 C ATOM 210 C THR A 12 10.749 7.400 -6.051 1.00 0.00 C ATOM 211 O THR A 12 11.624 7.414 -6.917 1.00 0.00 O ATOM 212 CB THR A 12 9.210 9.325 -6.386 1.00 0.00 C ATOM 213 OG1 THR A 12 8.790 10.599 -5.884 1.00 0.00 O ATOM 214 CG2 THR A 12 8.001 8.414 -6.545 1.00 0.00 C ATOM 0 H THR A 12 11.572 10.227 -5.976 1.00 0.00 H new ATOM 0 HA THR A 12 9.772 8.506 -4.478 1.00 0.00 H new ATOM 0 HB THR A 12 9.677 9.456 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.131 10.990 -6.495 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.281 8.879 -7.219 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.319 7.456 -6.957 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.536 8.254 -5.572 1.00 0.00 H new ATOM 222 N ILE A 13 10.201 6.280 -5.604 1.00 0.00 N ATOM 223 CA ILE A 13 10.617 4.988 -6.126 1.00 0.00 C ATOM 224 C ILE A 13 9.438 4.181 -6.650 1.00 0.00 C ATOM 225 O ILE A 13 8.393 4.083 -6.005 1.00 0.00 O ATOM 226 CB ILE A 13 11.376 4.176 -5.066 1.00 0.00 C ATOM 227 CG1 ILE A 13 10.611 4.175 -3.742 1.00 0.00 C ATOM 228 CG2 ILE A 13 12.771 4.751 -4.884 1.00 0.00 C ATOM 229 CD1 ILE A 13 11.264 3.337 -2.666 1.00 0.00 C ATOM 0 H ILE A 13 9.475 6.239 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 13 11.288 5.190 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 13 11.463 3.143 -5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.518 5.201 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.601 3.805 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.307 4.173 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.310 4.704 -5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.697 5.789 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.666 3.384 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.333 2.302 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 13 12.264 3.720 -2.463 1.00 0.00 H new ATOM 241 N THR A 14 9.623 3.613 -7.836 1.00 0.00 N ATOM 242 CA THR A 14 8.593 2.813 -8.483 1.00 0.00 C ATOM 243 C THR A 14 9.043 1.374 -8.681 1.00 0.00 C ATOM 244 O THR A 14 10.214 1.109 -8.957 1.00 0.00 O ATOM 245 CB THR A 14 8.209 3.402 -9.852 1.00 0.00 C ATOM 246 OG1 THR A 14 9.383 3.840 -10.548 1.00 0.00 O ATOM 247 CG2 THR A 14 7.236 4.558 -9.697 1.00 0.00 C ATOM 0 H THR A 14 10.487 3.694 -8.373 1.00 0.00 H new ATOM 0 HA THR A 14 7.727 2.829 -7.822 1.00 0.00 H new ATOM 0 HB THR A 14 7.719 2.619 -10.431 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.128 4.211 -11.418 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.982 4.954 -10.680 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.330 4.207 -9.202 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.696 5.343 -9.097 1.00 0.00 H new ATOM 255 N LEU A 15 8.102 0.446 -8.546 1.00 0.00 N ATOM 256 CA LEU A 15 8.393 -0.970 -8.718 1.00 0.00 C ATOM 257 C LEU A 15 7.094 -1.772 -8.801 1.00 0.00 C ATOM 258 O LEU A 15 6.242 -1.686 -7.919 1.00 0.00 O ATOM 259 CB LEU A 15 9.281 -1.470 -7.566 1.00 0.00 C ATOM 260 CG LEU A 15 8.589 -1.629 -6.208 1.00 0.00 C ATOM 261 CD1 LEU A 15 7.958 -3.005 -6.098 1.00 0.00 C ATOM 262 CD2 LEU A 15 9.581 -1.428 -5.073 1.00 0.00 C ATOM 0 H LEU A 15 7.129 0.651 -8.317 1.00 0.00 H new ATOM 0 HA LEU A 15 8.936 -1.111 -9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.705 -2.433 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.114 -0.777 -7.448 1.00 0.00 H new ATOM 0 HG LEU A 15 7.810 -0.870 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.470 -3.105 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.220 -3.131 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.730 -3.768 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.069 -1.545 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.378 -2.168 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.008 -0.427 -5.136 1.00 0.00 H new ATOM 274 N GLU A 16 6.938 -2.538 -9.875 1.00 0.00 N ATOM 275 CA GLU A 16 5.735 -3.337 -10.071 1.00 0.00 C ATOM 276 C GLU A 16 5.752 -4.594 -9.204 1.00 0.00 C ATOM 277 O GLU A 16 6.797 -5.216 -9.010 1.00 0.00 O ATOM 278 CB GLU A 16 5.569 -3.721 -11.544 1.00 0.00 C ATOM 279 CG GLU A 16 6.668 -4.625 -12.080 1.00 0.00 C ATOM 280 CD GLU A 16 7.977 -3.897 -12.304 1.00 0.00 C ATOM 281 OE1 GLU A 16 8.001 -2.956 -13.124 1.00 0.00 O ATOM 282 OE2 GLU A 16 8.979 -4.269 -11.660 1.00 0.00 O ATOM 0 H GLU A 16 7.628 -2.622 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 16 4.886 -2.724 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.609 -4.220 -11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.537 -2.811 -12.144 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.830 -5.445 -11.380 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.340 -5.068 -13.020 1.00 0.00 H new ATOM 289 N VAL A 17 4.579 -4.966 -8.694 1.00 0.00 N ATOM 290 CA VAL A 17 4.435 -6.152 -7.854 1.00 0.00 C ATOM 291 C VAL A 17 3.041 -6.748 -7.992 1.00 0.00 C ATOM 292 O VAL A 17 2.043 -6.035 -7.935 1.00 0.00 O ATOM 293 CB VAL A 17 4.694 -5.843 -6.368 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.175 -5.704 -6.095 1.00 0.00 C ATOM 295 CG2 VAL A 17 3.952 -4.591 -5.944 1.00 0.00 C ATOM 0 H VAL A 17 3.709 -4.458 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 17 5.182 -6.867 -8.199 1.00 0.00 H new ATOM 0 HB VAL A 17 4.319 -6.680 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.331 -5.486 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.681 -6.634 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.581 -4.891 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.149 -4.391 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.291 -3.746 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.882 -4.735 -6.092 1.00 0.00 H new ATOM 305 N GLU A 18 2.981 -8.059 -8.178 1.00 0.00 N ATOM 306 CA GLU A 18 1.709 -8.750 -8.333 1.00 0.00 C ATOM 307 C GLU A 18 0.858 -8.634 -7.068 1.00 0.00 C ATOM 308 O GLU A 18 1.365 -8.761 -5.954 1.00 0.00 O ATOM 309 CB GLU A 18 1.947 -10.221 -8.672 1.00 0.00 C ATOM 310 CG GLU A 18 2.824 -10.421 -9.897 1.00 0.00 C ATOM 311 CD GLU A 18 3.060 -11.885 -10.217 1.00 0.00 C ATOM 312 OE1 GLU A 18 2.537 -12.746 -9.479 1.00 0.00 O ATOM 313 OE2 GLU A 18 3.770 -12.169 -11.205 1.00 0.00 O ATOM 0 H GLU A 18 3.799 -8.666 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 18 1.166 -8.277 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.411 -10.713 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.986 -10.709 -8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.358 -9.937 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.783 -9.930 -9.736 1.00 0.00 H new ATOM 320 N PRO A 19 -0.455 -8.391 -7.232 1.00 0.00 N ATOM 321 CA PRO A 19 -1.393 -8.259 -6.110 1.00 0.00 C ATOM 322 C PRO A 19 -1.310 -9.429 -5.141 1.00 0.00 C ATOM 323 O PRO A 19 -1.462 -9.263 -3.931 1.00 0.00 O ATOM 324 CB PRO A 19 -2.774 -8.248 -6.783 1.00 0.00 C ATOM 325 CG PRO A 19 -2.538 -8.651 -8.201 1.00 0.00 C ATOM 326 CD PRO A 19 -1.137 -8.228 -8.521 1.00 0.00 C ATOM 0 HA PRO A 19 -1.178 -7.369 -5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.456 -8.940 -6.288 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.228 -7.259 -6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.659 -9.727 -8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.253 -8.170 -8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.692 -8.851 -9.297 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.095 -7.198 -8.875 1.00 0.00 H new ATOM 334 N SER A 20 -1.083 -10.611 -5.691 1.00 0.00 N ATOM 335 CA SER A 20 -0.993 -11.825 -4.896 1.00 0.00 C ATOM 336 C SER A 20 0.196 -11.770 -3.943 1.00 0.00 C ATOM 337 O SER A 20 0.141 -12.307 -2.837 1.00 0.00 O ATOM 338 CB SER A 20 -0.880 -13.036 -5.817 1.00 0.00 C ATOM 339 OG SER A 20 -0.807 -14.242 -5.077 1.00 0.00 O ATOM 0 H SER A 20 -0.957 -10.756 -6.693 1.00 0.00 H new ATOM 0 HA SER A 20 -1.898 -11.913 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.741 -13.069 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.006 -12.937 -6.444 1.00 0.00 H new ATOM 0 HG SER A 20 -0.737 -15.000 -5.694 1.00 0.00 H new ATOM 345 N ASP A 21 1.266 -11.114 -4.378 1.00 0.00 N ATOM 346 CA ASP A 21 2.465 -10.985 -3.558 1.00 0.00 C ATOM 347 C ASP A 21 2.138 -10.344 -2.212 1.00 0.00 C ATOM 348 O ASP A 21 1.430 -9.340 -2.144 1.00 0.00 O ATOM 349 CB ASP A 21 3.524 -10.163 -4.295 1.00 0.00 C ATOM 350 CG ASP A 21 4.155 -10.933 -5.438 1.00 0.00 C ATOM 351 OD1 ASP A 21 3.411 -11.395 -6.326 1.00 0.00 O ATOM 352 OD2 ASP A 21 5.396 -11.072 -5.446 1.00 0.00 O ATOM 0 H ASP A 21 1.328 -10.664 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 21 2.861 -11.983 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.069 -9.251 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.300 -9.859 -3.592 1.00 0.00 H new ATOM 357 N THR A 22 2.655 -10.944 -1.144 1.00 0.00 N ATOM 358 CA THR A 22 2.420 -10.452 0.209 1.00 0.00 C ATOM 359 C THR A 22 2.935 -9.030 0.392 1.00 0.00 C ATOM 360 O THR A 22 3.918 -8.629 -0.229 1.00 0.00 O ATOM 361 CB THR A 22 3.084 -11.361 1.258 1.00 0.00 C ATOM 362 OG1 THR A 22 4.497 -11.416 1.038 1.00 0.00 O ATOM 363 CG2 THR A 22 2.501 -12.762 1.197 1.00 0.00 C ATOM 0 H THR A 22 3.243 -11.776 -1.191 1.00 0.00 H new ATOM 0 HA THR A 22 1.340 -10.458 0.355 1.00 0.00 H new ATOM 0 HB THR A 22 2.890 -10.943 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.911 -11.995 1.712 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.983 -13.390 1.946 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.430 -12.719 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.671 -13.184 0.206 1.00 0.00 H new ATOM 371 N ILE A 23 2.259 -8.275 1.254 1.00 0.00 N ATOM 372 CA ILE A 23 2.641 -6.895 1.531 1.00 0.00 C ATOM 373 C ILE A 23 4.101 -6.812 1.964 1.00 0.00 C ATOM 374 O ILE A 23 4.851 -5.959 1.495 1.00 0.00 O ATOM 375 CB ILE A 23 1.758 -6.274 2.632 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.286 -6.298 2.211 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.208 -4.851 2.932 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.657 -5.751 3.264 1.00 0.00 C ATOM 0 H ILE A 23 1.442 -8.597 1.773 1.00 0.00 H new ATOM 0 HA ILE A 23 2.501 -6.335 0.606 1.00 0.00 H new ATOM 0 HB ILE A 23 1.865 -6.866 3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.170 -5.719 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.001 -7.324 1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.575 -4.426 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.244 -4.861 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.128 -4.246 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.682 -5.800 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.570 -6.345 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.398 -4.715 3.481 1.00 0.00 H new ATOM 390 N GLU A 24 4.497 -7.710 2.860 1.00 0.00 N ATOM 391 CA GLU A 24 5.868 -7.742 3.355 1.00 0.00 C ATOM 392 C GLU A 24 6.851 -7.966 2.210 1.00 0.00 C ATOM 393 O GLU A 24 7.955 -7.421 2.209 1.00 0.00 O ATOM 394 CB GLU A 24 6.028 -8.845 4.404 1.00 0.00 C ATOM 395 CG GLU A 24 5.695 -10.235 3.885 1.00 0.00 C ATOM 396 CD GLU A 24 5.865 -11.309 4.941 1.00 0.00 C ATOM 397 OE1 GLU A 24 5.181 -11.231 5.983 1.00 0.00 O ATOM 398 OE2 GLU A 24 6.681 -12.229 4.725 1.00 0.00 O ATOM 0 H GLU A 24 3.888 -8.425 3.258 1.00 0.00 H new ATOM 0 HA GLU A 24 6.086 -6.779 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.055 -8.840 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.385 -8.621 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.667 -10.247 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.336 -10.464 3.033 1.00 0.00 H new ATOM 405 N ASN A 25 6.442 -8.778 1.241 1.00 0.00 N ATOM 406 CA ASN A 25 7.282 -9.088 0.090 1.00 0.00 C ATOM 407 C ASN A 25 7.573 -7.846 -0.749 1.00 0.00 C ATOM 408 O ASN A 25 8.723 -7.591 -1.108 1.00 0.00 O ATOM 409 CB ASN A 25 6.617 -10.162 -0.773 1.00 0.00 C ATOM 410 CG ASN A 25 7.429 -10.503 -2.006 1.00 0.00 C ATOM 411 OD1 ASN A 25 8.597 -10.880 -1.910 1.00 0.00 O ATOM 412 ND2 ASN A 25 6.808 -10.378 -3.173 1.00 0.00 N ATOM 0 H ASN A 25 5.530 -9.235 1.230 1.00 0.00 H new ATOM 0 HA ASN A 25 8.233 -9.464 0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.472 -11.063 -0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.628 -9.818 -1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.300 -10.598 -4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.839 -10.062 -3.204 1.00 0.00 H new ATOM 419 N VAL A 26 6.533 -7.075 -1.068 1.00 0.00 N ATOM 420 CA VAL A 26 6.711 -5.868 -1.873 1.00 0.00 C ATOM 421 C VAL A 26 7.554 -4.833 -1.135 1.00 0.00 C ATOM 422 O VAL A 26 8.411 -4.180 -1.730 1.00 0.00 O ATOM 423 CB VAL A 26 5.364 -5.232 -2.288 1.00 0.00 C ATOM 424 CG1 VAL A 26 4.460 -6.264 -2.943 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.672 -4.576 -1.104 1.00 0.00 C ATOM 0 H VAL A 26 5.571 -7.262 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 26 7.231 -6.180 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 26 5.576 -4.451 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.518 -5.795 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.948 -6.664 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.264 -7.074 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.728 -4.139 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.479 -5.324 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.312 -3.794 -0.696 1.00 0.00 H new ATOM 435 N LYS A 27 7.308 -4.686 0.166 1.00 0.00 N ATOM 436 CA LYS A 27 8.050 -3.730 0.978 1.00 0.00 C ATOM 437 C LYS A 27 9.528 -4.101 1.030 1.00 0.00 C ATOM 438 O LYS A 27 10.398 -3.231 0.980 1.00 0.00 O ATOM 439 CB LYS A 27 7.476 -3.661 2.394 1.00 0.00 C ATOM 440 CG LYS A 27 6.004 -3.280 2.436 1.00 0.00 C ATOM 441 CD LYS A 27 5.510 -3.083 3.862 1.00 0.00 C ATOM 442 CE LYS A 27 5.714 -4.330 4.708 1.00 0.00 C ATOM 443 NZ LYS A 27 5.199 -4.153 6.094 1.00 0.00 N ATOM 0 H LYS A 27 6.602 -5.216 0.677 1.00 0.00 H new ATOM 0 HA LYS A 27 7.952 -2.748 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.606 -4.629 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.047 -2.936 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.850 -2.362 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.414 -4.058 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.038 -2.245 4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.452 -2.823 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.209 -5.174 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.776 -4.574 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.491 -4.962 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.585 -3.276 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.161 -4.097 6.074 1.00 0.00 H new ATOM 457 N ALA A 28 9.804 -5.399 1.124 1.00 0.00 N ATOM 458 CA ALA A 28 11.178 -5.885 1.172 1.00 0.00 C ATOM 459 C ALA A 28 11.966 -5.381 -0.030 1.00 0.00 C ATOM 460 O ALA A 28 13.143 -5.043 0.082 1.00 0.00 O ATOM 461 CB ALA A 28 11.205 -7.405 1.231 1.00 0.00 C ATOM 0 H ALA A 28 9.095 -6.131 1.168 1.00 0.00 H new ATOM 0 HA ALA A 28 11.648 -5.498 2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.239 -7.749 1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.679 -7.744 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.717 -7.812 0.346 1.00 0.00 H new ATOM 467 N LYS A 29 11.301 -5.323 -1.180 1.00 0.00 N ATOM 468 CA LYS A 29 11.931 -4.845 -2.404 1.00 0.00 C ATOM 469 C LYS A 29 12.322 -3.387 -2.241 1.00 0.00 C ATOM 470 O LYS A 29 13.412 -2.976 -2.638 1.00 0.00 O ATOM 471 CB LYS A 29 10.975 -5.002 -3.586 1.00 0.00 C ATOM 472 CG LYS A 29 10.283 -6.351 -3.622 1.00 0.00 C ATOM 473 CD LYS A 29 9.366 -6.478 -4.827 1.00 0.00 C ATOM 474 CE LYS A 29 8.683 -7.836 -4.866 1.00 0.00 C ATOM 475 NZ LYS A 29 9.666 -8.952 -4.950 1.00 0.00 N ATOM 0 H LYS A 29 10.326 -5.601 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 29 12.825 -5.437 -2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.221 -4.216 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.529 -4.861 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.031 -7.143 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.705 -6.488 -2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.612 -5.691 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.942 -6.333 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.070 -7.959 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.011 -7.879 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.171 -9.833 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.373 -8.738 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.142 -9.066 -4.032 1.00 0.00 H new ATOM 489 N ILE A 30 11.426 -2.616 -1.631 1.00 0.00 N ATOM 490 CA ILE A 30 11.673 -1.204 -1.381 1.00 0.00 C ATOM 491 C ILE A 30 12.975 -1.047 -0.608 1.00 0.00 C ATOM 492 O ILE A 30 13.773 -0.150 -0.873 1.00 0.00 O ATOM 493 CB ILE A 30 10.519 -0.577 -0.581 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.198 -0.741 -1.338 1.00 0.00 C ATOM 495 CG2 ILE A 30 10.803 0.892 -0.301 1.00 0.00 C ATOM 496 CD1 ILE A 30 7.995 -0.224 -0.580 1.00 0.00 C ATOM 0 H ILE A 30 10.520 -2.949 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 30 11.746 -0.690 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 30 10.433 -1.095 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.268 -0.217 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.048 -1.797 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.977 1.321 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.724 0.981 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.912 1.428 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.096 -0.374 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.898 -0.764 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.122 0.839 -0.377 1.00 0.00 H new ATOM 508 N GLN A 31 13.183 -1.963 0.331 1.00 0.00 N ATOM 509 CA GLN A 31 14.388 -1.992 1.141 1.00 0.00 C ATOM 510 C GLN A 31 15.591 -2.189 0.237 1.00 0.00 C ATOM 511 O GLN A 31 16.594 -1.487 0.338 1.00 0.00 O ATOM 512 CB GLN A 31 14.289 -3.147 2.134 1.00 0.00 C ATOM 513 CG GLN A 31 15.564 -3.424 2.903 1.00 0.00 C ATOM 514 CD GLN A 31 15.438 -4.649 3.786 1.00 0.00 C ATOM 515 OE1 GLN A 31 15.289 -5.768 3.295 1.00 0.00 O ATOM 516 NE2 GLN A 31 15.480 -4.443 5.095 1.00 0.00 N ATOM 0 H GLN A 31 12.519 -2.705 0.550 1.00 0.00 H new ATOM 0 HA GLN A 31 14.498 -1.054 1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.491 -2.932 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.001 -4.050 1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.387 -3.565 2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.813 -2.558 3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.605 -3.498 5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.387 -5.229 5.738 1.00 0.00 H new ATOM 525 N ASP A 32 15.461 -3.154 -0.661 1.00 0.00 N ATOM 526 CA ASP A 32 16.508 -3.461 -1.613 1.00 0.00 C ATOM 527 C ASP A 32 16.802 -2.239 -2.480 1.00 0.00 C ATOM 528 O ASP A 32 17.952 -1.963 -2.820 1.00 0.00 O ATOM 529 CB ASP A 32 16.088 -4.652 -2.476 1.00 0.00 C ATOM 530 CG ASP A 32 17.137 -5.044 -3.499 1.00 0.00 C ATOM 531 OD1 ASP A 32 18.228 -4.437 -3.501 1.00 0.00 O ATOM 532 OD2 ASP A 32 16.871 -5.970 -4.294 1.00 0.00 O ATOM 0 H ASP A 32 14.631 -3.741 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 32 17.419 -3.725 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.881 -5.506 -1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.159 -4.410 -2.992 1.00 0.00 H new ATOM 537 N LYS A 33 15.746 -1.500 -2.821 1.00 0.00 N ATOM 538 CA LYS A 33 15.876 -0.297 -3.636 1.00 0.00 C ATOM 539 C LYS A 33 16.645 0.787 -2.889 1.00 0.00 C ATOM 540 O LYS A 33 17.495 1.466 -3.465 1.00 0.00 O ATOM 541 CB LYS A 33 14.497 0.237 -4.035 1.00 0.00 C ATOM 542 CG LYS A 33 13.733 -0.670 -4.986 1.00 0.00 C ATOM 543 CD LYS A 33 14.441 -0.825 -6.326 1.00 0.00 C ATOM 544 CE LYS A 33 14.294 0.414 -7.200 1.00 0.00 C ATOM 545 NZ LYS A 33 14.991 1.600 -6.631 1.00 0.00 N ATOM 0 H LYS A 33 14.789 -1.716 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 33 16.430 -0.565 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.902 0.385 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.619 1.215 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.607 -1.651 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.735 -0.264 -5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.499 -1.024 -6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.035 -1.689 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.693 0.204 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.236 0.644 -7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.322 2.212 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.333 2.132 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.805 1.286 -6.065 1.00 0.00 H new ATOM 559 N GLU A 34 16.338 0.949 -1.604 1.00 0.00 N ATOM 560 CA GLU A 34 17.000 1.958 -0.785 1.00 0.00 C ATOM 561 C GLU A 34 17.631 1.331 0.455 1.00 0.00 C ATOM 562 O GLU A 34 18.855 1.247 0.561 1.00 0.00 O ATOM 563 CB GLU A 34 16.000 3.041 -0.373 1.00 0.00 C ATOM 564 CG GLU A 34 16.621 4.167 0.439 1.00 0.00 C ATOM 565 CD GLU A 34 17.685 4.923 -0.334 1.00 0.00 C ATOM 566 OE1 GLU A 34 17.345 5.535 -1.368 1.00 0.00 O ATOM 567 OE2 GLU A 34 18.857 4.900 0.093 1.00 0.00 O ATOM 0 H GLU A 34 15.637 0.396 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 34 17.794 2.410 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.542 3.460 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.200 2.583 0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.840 4.861 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.060 3.756 1.348 1.00 0.00 H new ATOM 574 N GLY A 35 16.794 0.887 1.391 1.00 0.00 N ATOM 575 CA GLY A 35 17.308 0.270 2.601 1.00 0.00 C ATOM 576 C GLY A 35 16.299 0.240 3.733 1.00 0.00 C ATOM 577 O GLY A 35 16.252 -0.723 4.500 1.00 0.00 O ATOM 0 H GLY A 35 15.777 0.943 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.622 -0.749 2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.195 0.812 2.928 1.00 0.00 H new ATOM 581 N ILE A 36 15.505 1.300 3.850 1.00 0.00 N ATOM 582 CA ILE A 36 14.506 1.399 4.905 1.00 0.00 C ATOM 583 C ILE A 36 13.715 0.108 5.089 1.00 0.00 C ATOM 584 O ILE A 36 13.134 -0.422 4.143 1.00 0.00 O ATOM 585 CB ILE A 36 13.514 2.551 4.647 1.00 0.00 C ATOM 586 CG1 ILE A 36 13.462 2.925 3.159 1.00 0.00 C ATOM 587 CG2 ILE A 36 13.888 3.762 5.479 1.00 0.00 C ATOM 588 CD1 ILE A 36 13.027 1.802 2.246 1.00 0.00 C ATOM 0 H ILE A 36 15.536 2.105 3.224 1.00 0.00 H new ATOM 0 HA ILE A 36 15.069 1.597 5.817 1.00 0.00 H new ATOM 0 HB ILE A 36 12.522 2.209 4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.779 3.765 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.449 3.267 2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.180 4.568 5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.861 3.499 6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.892 4.091 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.019 2.154 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.722 0.968 2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.026 1.473 2.525 1.00 0.00 H new ATOM 600 N PRO A 37 13.685 -0.406 6.331 1.00 0.00 N ATOM 601 CA PRO A 37 12.962 -1.634 6.677 1.00 0.00 C ATOM 602 C PRO A 37 11.542 -1.662 6.115 1.00 0.00 C ATOM 603 O PRO A 37 10.860 -0.638 6.078 1.00 0.00 O ATOM 604 CB PRO A 37 12.911 -1.574 8.199 1.00 0.00 C ATOM 605 CG PRO A 37 14.152 -0.853 8.581 1.00 0.00 C ATOM 606 CD PRO A 37 14.365 0.177 7.507 1.00 0.00 C ATOM 0 HA PRO A 37 13.448 -2.521 6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.022 -1.047 8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.881 -2.572 8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.048 -0.384 9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.999 -1.536 8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.935 1.140 7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.425 0.344 7.316 1.00 0.00 H new ATOM 614 N PRO A 38 11.075 -2.843 5.674 1.00 0.00 N ATOM 615 CA PRO A 38 9.727 -3.006 5.116 1.00 0.00 C ATOM 616 C PRO A 38 8.637 -2.546 6.080 1.00 0.00 C ATOM 617 O PRO A 38 7.628 -1.976 5.665 1.00 0.00 O ATOM 618 CB PRO A 38 9.617 -4.515 4.874 1.00 0.00 C ATOM 619 CG PRO A 38 11.024 -4.992 4.768 1.00 0.00 C ATOM 620 CD PRO A 38 11.824 -4.114 5.687 1.00 0.00 C ATOM 0 HA PRO A 38 9.588 -2.404 4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.093 -5.009 5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.058 -4.729 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.105 -6.039 5.059 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.386 -4.917 3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.888 -4.534 6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.846 -3.983 5.331 1.00 0.00 H new ATOM 628 N ASP A 39 8.844 -2.803 7.368 1.00 0.00 N ATOM 629 CA ASP A 39 7.880 -2.427 8.395 1.00 0.00 C ATOM 630 C ASP A 39 7.645 -0.921 8.410 1.00 0.00 C ATOM 631 O ASP A 39 6.523 -0.460 8.619 1.00 0.00 O ATOM 632 CB ASP A 39 8.367 -2.888 9.770 1.00 0.00 C ATOM 633 CG ASP A 39 8.524 -4.394 9.854 1.00 0.00 C ATOM 634 OD1 ASP A 39 9.283 -4.959 9.039 1.00 0.00 O ATOM 635 OD2 ASP A 39 7.891 -5.008 10.738 1.00 0.00 O ATOM 0 H ASP A 39 9.676 -3.273 7.726 1.00 0.00 H new ATOM 0 HA ASP A 39 6.935 -2.918 8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.323 -2.413 9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.662 -2.556 10.532 1.00 0.00 H new ATOM 640 N GLN A 40 8.712 -0.158 8.199 1.00 0.00 N ATOM 641 CA GLN A 40 8.623 1.296 8.201 1.00 0.00 C ATOM 642 C GLN A 40 7.673 1.806 7.120 1.00 0.00 C ATOM 643 O GLN A 40 6.926 2.759 7.346 1.00 0.00 O ATOM 644 CB GLN A 40 10.009 1.911 8.024 1.00 0.00 C ATOM 645 CG GLN A 40 10.933 1.666 9.206 1.00 0.00 C ATOM 646 CD GLN A 40 12.346 2.163 8.966 1.00 0.00 C ATOM 647 OE1 GLN A 40 13.202 2.082 9.847 1.00 0.00 O ATOM 648 NE2 GLN A 40 12.602 2.677 7.768 1.00 0.00 N ATOM 0 H GLN A 40 9.648 -0.523 8.024 1.00 0.00 H new ATOM 0 HA GLN A 40 8.218 1.601 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.467 1.503 7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.905 2.985 7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.525 2.160 10.088 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.961 0.598 9.423 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.864 2.726 7.066 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.537 3.023 7.551 1.00 0.00 H new ATOM 657 N GLN A 41 7.704 1.177 5.948 1.00 0.00 N ATOM 658 CA GLN A 41 6.839 1.585 4.843 1.00 0.00 C ATOM 659 C GLN A 41 5.376 1.599 5.278 1.00 0.00 C ATOM 660 O GLN A 41 4.852 0.595 5.763 1.00 0.00 O ATOM 661 CB GLN A 41 7.017 0.650 3.643 1.00 0.00 C ATOM 662 CG GLN A 41 8.314 0.861 2.872 1.00 0.00 C ATOM 663 CD GLN A 41 9.557 0.616 3.707 1.00 0.00 C ATOM 664 OE1 GLN A 41 9.849 1.359 4.644 1.00 0.00 O ATOM 665 NE2 GLN A 41 10.298 -0.432 3.368 1.00 0.00 N ATOM 0 H GLN A 41 8.315 0.387 5.739 1.00 0.00 H new ATOM 0 HA GLN A 41 7.126 2.594 4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.979 -0.382 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.177 0.787 2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.328 0.195 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.338 1.881 2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.019 -1.022 2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.146 -0.648 3.892 1.00 0.00 H new ATOM 674 N ARG A 42 4.724 2.747 5.109 1.00 0.00 N ATOM 675 CA ARG A 42 3.328 2.897 5.489 1.00 0.00 C ATOM 676 C ARG A 42 2.396 2.527 4.342 1.00 0.00 C ATOM 677 O ARG A 42 2.542 3.027 3.228 1.00 0.00 O ATOM 678 CB ARG A 42 3.052 4.331 5.947 1.00 0.00 C ATOM 679 CG ARG A 42 3.858 4.746 7.168 1.00 0.00 C ATOM 680 CD ARG A 42 3.551 6.176 7.581 1.00 0.00 C ATOM 681 NE ARG A 42 4.316 6.581 8.758 1.00 0.00 N ATOM 682 CZ ARG A 42 4.225 7.783 9.318 1.00 0.00 C ATOM 683 NH1 ARG A 42 3.407 8.695 8.811 1.00 0.00 N ATOM 684 NH2 ARG A 42 4.954 8.072 10.388 1.00 0.00 N ATOM 0 H ARG A 42 5.144 3.587 4.710 1.00 0.00 H new ATOM 0 HA ARG A 42 3.134 2.214 6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.273 5.014 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.990 4.434 6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.638 4.072 7.996 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.922 4.649 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.776 6.849 6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.486 6.272 7.790 1.00 0.00 H new ATOM 0 HE ARG A 42 4.956 5.904 9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.845 8.475 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.340 9.616 9.243 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.584 7.372 10.780 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.885 8.994 10.818 1.00 0.00 H new ATOM 698 N LEU A 43 1.431 1.653 4.619 1.00 0.00 N ATOM 699 CA LEU A 43 0.478 1.227 3.600 1.00 0.00 C ATOM 700 C LEU A 43 -0.535 2.327 3.312 1.00 0.00 C ATOM 701 O LEU A 43 -1.136 2.888 4.228 1.00 0.00 O ATOM 702 CB LEU A 43 -0.254 -0.045 4.037 1.00 0.00 C ATOM 703 CG LEU A 43 0.646 -1.198 4.487 1.00 0.00 C ATOM 704 CD1 LEU A 43 -0.174 -2.466 4.674 1.00 0.00 C ATOM 705 CD2 LEU A 43 1.766 -1.433 3.487 1.00 0.00 C ATOM 0 H LEU A 43 1.290 1.229 5.536 1.00 0.00 H new ATOM 0 HA LEU A 43 1.039 1.017 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.929 0.207 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.872 -0.391 3.209 1.00 0.00 H new ATOM 0 HG LEU A 43 1.095 -0.928 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.479 -3.278 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.939 -2.296 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.650 -2.734 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.392 -2.257 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.340 -1.680 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.371 -0.530 3.399 1.00 0.00 H new ATOM 717 N ILE A 44 -0.726 2.624 2.031 1.00 0.00 N ATOM 718 CA ILE A 44 -1.672 3.650 1.615 1.00 0.00 C ATOM 719 C ILE A 44 -2.361 3.251 0.316 1.00 0.00 C ATOM 720 O ILE A 44 -1.714 2.811 -0.633 1.00 0.00 O ATOM 721 CB ILE A 44 -0.978 5.014 1.431 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.332 5.456 2.745 1.00 0.00 C ATOM 723 CG2 ILE A 44 -1.975 6.056 0.943 1.00 0.00 C ATOM 724 CD1 ILE A 44 0.458 6.739 2.631 1.00 0.00 C ATOM 0 H ILE A 44 -0.236 2.167 1.262 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.417 3.744 2.405 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.197 4.913 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.110 5.584 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.327 4.664 3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.469 7.013 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.394 5.740 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.777 6.162 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.887 6.990 3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.259 6.610 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.201 7.544 2.306 1.00 0.00 H new ATOM 736 N PHE A 45 -3.682 3.396 0.287 1.00 0.00 N ATOM 737 CA PHE A 45 -4.467 3.040 -0.890 1.00 0.00 C ATOM 738 C PHE A 45 -5.409 4.176 -1.273 1.00 0.00 C ATOM 739 O PHE A 45 -5.896 4.903 -0.409 1.00 0.00 O ATOM 740 CB PHE A 45 -5.274 1.761 -0.630 1.00 0.00 C ATOM 741 CG PHE A 45 -4.437 0.577 -0.227 1.00 0.00 C ATOM 742 CD1 PHE A 45 -3.808 0.540 1.008 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.281 -0.498 -1.085 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.039 -0.546 1.378 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.513 -1.588 -0.720 1.00 0.00 C ATOM 746 CZ PHE A 45 -2.891 -1.612 0.513 1.00 0.00 C ATOM 0 H PHE A 45 -4.232 3.758 1.066 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.777 2.863 -1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.005 1.959 0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.833 1.507 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.921 1.371 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.765 -0.485 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.554 -0.561 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.399 -2.420 -1.399 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.290 -2.462 0.800 1.00 0.00 H new ATOM 756 N ALA A 46 -5.666 4.331 -2.571 1.00 0.00 N ATOM 757 CA ALA A 46 -6.557 5.389 -3.040 1.00 0.00 C ATOM 758 C ALA A 46 -7.150 5.058 -4.406 1.00 0.00 C ATOM 759 O ALA A 46 -6.426 4.811 -5.368 1.00 0.00 O ATOM 760 CB ALA A 46 -5.815 6.718 -3.090 1.00 0.00 C ATOM 0 H ALA A 46 -5.275 3.745 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.382 5.469 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.490 7.499 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.455 6.971 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.968 6.637 -3.772 1.00 0.00 H new ATOM 766 N GLY A 47 -8.479 5.061 -4.478 1.00 0.00 N ATOM 767 CA GLY A 47 -9.158 4.762 -5.726 1.00 0.00 C ATOM 768 C GLY A 47 -8.819 5.748 -6.826 1.00 0.00 C ATOM 769 O GLY A 47 -8.750 6.954 -6.588 1.00 0.00 O ATOM 0 H GLY A 47 -9.097 5.265 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.889 3.756 -6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.235 4.766 -5.559 1.00 0.00 H new ATOM 868 N MET B 1 -2.290 -4.094 11.476 1.00 0.00 N ATOM 869 CA MET B 1 -1.775 -2.755 11.210 1.00 0.00 C ATOM 870 C MET B 1 -2.758 -1.933 10.379 1.00 0.00 C ATOM 871 O MET B 1 -3.062 -2.280 9.237 1.00 0.00 O ATOM 872 CB MET B 1 -0.430 -2.844 10.486 1.00 0.00 C ATOM 873 CG MET B 1 -0.464 -3.728 9.250 1.00 0.00 C ATOM 874 SD MET B 1 1.090 -3.712 8.336 1.00 0.00 S ATOM 875 CE MET B 1 1.136 -2.006 7.792 1.00 0.00 C ATOM 0 H1 MET B 1 -1.495 -4.754 11.597 1.00 0.00 H new ATOM 0 H2 MET B 1 -2.863 -4.079 12.344 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.879 -4.405 10.677 1.00 0.00 H new ATOM 0 HA MET B 1 -1.640 -2.253 12.168 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.115 -1.841 10.197 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.321 -3.228 11.177 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.695 -4.751 9.547 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.269 -3.397 8.594 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.929 -1.880 7.055 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.179 -1.741 7.343 1.00 0.00 H new ATOM 0 HE3 MET B 1 1.328 -1.357 8.646 1.00 0.00 H new ATOM 885 N GLN B 2 -3.243 -0.838 10.958 1.00 0.00 N ATOM 886 CA GLN B 2 -4.184 0.040 10.274 1.00 0.00 C ATOM 887 C GLN B 2 -3.564 0.644 9.019 1.00 0.00 C ATOM 888 O GLN B 2 -2.462 1.192 9.059 1.00 0.00 O ATOM 889 CB GLN B 2 -4.637 1.166 11.205 1.00 0.00 C ATOM 890 CG GLN B 2 -5.472 0.696 12.381 1.00 0.00 C ATOM 891 CD GLN B 2 -5.884 1.828 13.309 1.00 0.00 C ATOM 892 OE1 GLN B 2 -6.588 1.608 14.294 1.00 0.00 O ATOM 893 NE2 GLN B 2 -5.446 3.047 13.004 1.00 0.00 N ATOM 0 H GLN B 2 -2.998 -0.538 11.902 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.045 -0.563 9.984 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -3.757 1.687 11.583 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.214 1.890 10.629 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -6.366 0.196 12.008 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -4.907 -0.044 12.948 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -4.864 3.188 12.178 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.692 3.840 13.596 1.00 0.00 H new ATOM 902 N ILE B 3 -4.289 0.553 7.911 1.00 0.00 N ATOM 903 CA ILE B 3 -3.828 1.100 6.644 1.00 0.00 C ATOM 904 C ILE B 3 -4.559 2.399 6.323 1.00 0.00 C ATOM 905 O ILE B 3 -5.765 2.513 6.544 1.00 0.00 O ATOM 906 CB ILE B 3 -4.043 0.109 5.482 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.538 -0.148 5.269 1.00 0.00 C ATOM 908 CG2 ILE B 3 -3.306 -1.194 5.754 1.00 0.00 C ATOM 909 CD1 ILE B 3 -5.838 -1.091 4.126 1.00 0.00 C ATOM 0 H ILE B 3 -5.203 0.103 7.866 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.760 1.290 6.750 1.00 0.00 H new ATOM 0 HB ILE B 3 -3.638 0.548 4.570 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -5.961 -0.558 6.186 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -6.038 0.803 5.084 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -3.467 -1.883 4.925 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.239 -0.994 5.857 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.682 -1.640 6.675 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -6.916 -1.224 4.037 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -5.446 -0.674 3.198 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -5.368 -2.056 4.317 1.00 0.00 H new ATOM 921 N PHE B 4 -3.830 3.373 5.793 1.00 0.00 N ATOM 922 CA PHE B 4 -4.428 4.652 5.435 1.00 0.00 C ATOM 923 C PHE B 4 -4.951 4.596 4.004 1.00 0.00 C ATOM 924 O PHE B 4 -4.239 4.178 3.093 1.00 0.00 O ATOM 925 CB PHE B 4 -3.411 5.788 5.585 1.00 0.00 C ATOM 926 CG PHE B 4 -2.978 6.036 7.005 1.00 0.00 C ATOM 927 CD1 PHE B 4 -2.456 5.012 7.781 1.00 0.00 C ATOM 928 CD2 PHE B 4 -3.090 7.301 7.563 1.00 0.00 C ATOM 929 CE1 PHE B 4 -2.056 5.245 9.084 1.00 0.00 C ATOM 930 CE2 PHE B 4 -2.692 7.539 8.865 1.00 0.00 C ATOM 931 CZ PHE B 4 -2.174 6.508 9.626 1.00 0.00 C ATOM 0 H PHE B 4 -2.830 3.303 5.603 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.260 4.849 6.112 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.532 5.558 4.983 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.842 6.704 5.182 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.361 4.021 7.363 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.493 8.110 6.972 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -1.651 4.438 9.677 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -2.786 8.529 9.287 1.00 0.00 H new ATOM 0 HZ PHE B 4 -1.862 6.691 10.644 1.00 0.00 H new ATOM 941 N VAL B 5 -6.202 5.002 3.812 1.00 0.00 N ATOM 942 CA VAL B 5 -6.811 4.975 2.487 1.00 0.00 C ATOM 943 C VAL B 5 -7.745 6.162 2.278 1.00 0.00 C ATOM 944 O VAL B 5 -8.555 6.491 3.142 1.00 0.00 O ATOM 945 CB VAL B 5 -7.606 3.671 2.263 1.00 0.00 C ATOM 946 CG1 VAL B 5 -8.206 3.638 0.866 1.00 0.00 C ATOM 947 CG2 VAL B 5 -6.724 2.454 2.498 1.00 0.00 C ATOM 0 H VAL B 5 -6.811 5.352 4.552 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.995 5.030 1.767 1.00 0.00 H new ATOM 0 HB VAL B 5 -8.422 3.644 2.985 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.762 2.710 0.731 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.879 4.486 0.739 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.408 3.694 0.126 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -7.305 1.546 2.335 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -5.882 2.476 1.806 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -6.352 2.467 3.522 1.00 0.00 H new ATOM 957 N LYS B 6 -7.626 6.797 1.117 1.00 0.00 N ATOM 958 CA LYS B 6 -8.459 7.944 0.781 1.00 0.00 C ATOM 959 C LYS B 6 -9.661 7.508 -0.051 1.00 0.00 C ATOM 960 O LYS B 6 -9.506 6.837 -1.071 1.00 0.00 O ATOM 961 CB LYS B 6 -7.643 8.978 0.002 1.00 0.00 C ATOM 962 CG LYS B 6 -6.383 9.433 0.723 1.00 0.00 C ATOM 963 CD LYS B 6 -6.706 10.137 2.029 1.00 0.00 C ATOM 964 CE LYS B 6 -5.442 10.590 2.741 1.00 0.00 C ATOM 965 NZ LYS B 6 -4.569 9.442 3.109 1.00 0.00 N ATOM 0 H LYS B 6 -6.959 6.535 0.392 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.816 8.392 1.709 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.366 8.556 -0.964 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -8.270 9.847 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -5.746 8.571 0.922 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -5.817 10.105 0.078 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -7.343 10.999 1.832 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -7.270 9.465 2.677 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -4.889 11.275 2.098 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -5.711 11.144 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -3.828 9.765 3.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -5.140 8.705 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.128 9.052 2.251 1.00 0.00 H new ATOM 979 N THR B 7 -10.857 7.897 0.381 1.00 0.00 N ATOM 980 CA THR B 7 -12.072 7.543 -0.341 1.00 0.00 C ATOM 981 C THR B 7 -12.239 8.409 -1.586 1.00 0.00 C ATOM 982 O THR B 7 -11.267 8.957 -2.107 1.00 0.00 O ATOM 983 CB THR B 7 -13.324 7.685 0.547 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.419 9.023 1.052 1.00 0.00 O ATOM 985 CG2 THR B 7 -13.282 6.699 1.705 1.00 0.00 C ATOM 0 H THR B 7 -11.009 8.454 1.222 1.00 0.00 H new ATOM 0 HA THR B 7 -11.970 6.499 -0.637 1.00 0.00 H new ATOM 0 HB THR B 7 -14.201 7.466 -0.062 1.00 0.00 H new ATOM 0 HG1 THR B 7 -12.670 9.197 1.660 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.176 6.818 2.317 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.242 5.682 1.315 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.398 6.889 2.313 1.00 0.00 H new ATOM 993 N LEU B 8 -13.476 8.529 -2.059 1.00 0.00 N ATOM 994 CA LEU B 8 -13.770 9.328 -3.242 1.00 0.00 C ATOM 995 C LEU B 8 -13.918 10.807 -2.896 1.00 0.00 C ATOM 996 O LEU B 8 -13.276 11.663 -3.505 1.00 0.00 O ATOM 997 CB LEU B 8 -15.043 8.820 -3.921 1.00 0.00 C ATOM 998 CG LEU B 8 -14.867 7.564 -4.779 1.00 0.00 C ATOM 999 CD1 LEU B 8 -14.191 6.451 -3.993 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -16.209 7.102 -5.317 1.00 0.00 C ATOM 0 H LEU B 8 -14.291 8.082 -1.640 1.00 0.00 H new ATOM 0 HA LEU B 8 -12.930 9.225 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -15.788 8.614 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -15.444 9.616 -4.549 1.00 0.00 H new ATOM 0 HG LEU B 8 -14.221 7.815 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -14.080 5.572 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -13.208 6.785 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -14.800 6.197 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -16.069 6.208 -5.925 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -16.876 6.874 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -16.647 7.891 -5.928 1.00 0.00 H new ATOM 1012 N THR B 9 -14.773 11.102 -1.922 1.00 0.00 N ATOM 1013 CA THR B 9 -15.009 12.480 -1.505 1.00 0.00 C ATOM 1014 C THR B 9 -13.842 13.030 -0.692 1.00 0.00 C ATOM 1015 O THR B 9 -13.397 14.156 -0.916 1.00 0.00 O ATOM 1016 CB THR B 9 -16.298 12.600 -0.673 1.00 0.00 C ATOM 1017 OG1 THR B 9 -16.201 11.787 0.502 1.00 0.00 O ATOM 1018 CG2 THR B 9 -17.510 12.176 -1.490 1.00 0.00 C ATOM 0 H THR B 9 -15.313 10.407 -1.407 1.00 0.00 H new ATOM 0 HA THR B 9 -15.113 13.066 -2.418 1.00 0.00 H new ATOM 0 HB THR B 9 -16.421 13.643 -0.383 1.00 0.00 H new ATOM 0 HG1 THR B 9 -17.025 11.871 1.027 1.00 0.00 H new ATOM 0 HG21 THR B 9 -18.410 12.269 -0.882 1.00 0.00 H new ATOM 0 HG22 THR B 9 -17.598 12.815 -2.368 1.00 0.00 H new ATOM 0 HG23 THR B 9 -17.391 11.140 -1.806 1.00 0.00 H new ATOM 1026 N GLY B 10 -13.352 12.235 0.255 1.00 0.00 N ATOM 1027 CA GLY B 10 -12.245 12.674 1.086 1.00 0.00 C ATOM 1028 C GLY B 10 -12.109 11.854 2.355 1.00 0.00 C ATOM 1029 O GLY B 10 -11.012 11.720 2.899 1.00 0.00 O ATOM 0 H GLY B 10 -13.700 11.299 0.461 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -11.319 12.610 0.515 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -12.386 13.723 1.348 1.00 0.00 H new ATOM 1033 N LYS B 11 -13.231 11.319 2.830 1.00 0.00 N ATOM 1034 CA LYS B 11 -13.252 10.515 4.050 1.00 0.00 C ATOM 1035 C LYS B 11 -12.079 9.542 4.106 1.00 0.00 C ATOM 1036 O LYS B 11 -11.814 8.812 3.152 1.00 0.00 O ATOM 1037 CB LYS B 11 -14.571 9.741 4.145 1.00 0.00 C ATOM 1038 CG LYS B 11 -14.594 8.697 5.251 1.00 0.00 C ATOM 1039 CD LYS B 11 -14.455 9.332 6.623 1.00 0.00 C ATOM 1040 CE LYS B 11 -15.666 10.181 6.974 1.00 0.00 C ATOM 1041 NZ LYS B 11 -16.921 9.380 6.991 1.00 0.00 N ATOM 0 H LYS B 11 -14.143 11.429 2.386 1.00 0.00 H new ATOM 0 HA LYS B 11 -13.163 11.196 4.896 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -15.385 10.448 4.309 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -14.762 9.250 3.191 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -15.527 8.135 5.202 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -13.784 7.984 5.096 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -14.327 8.552 7.374 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -13.557 9.950 6.649 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -15.516 10.641 7.951 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -15.763 10.991 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -17.665 9.911 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -17.224 9.189 6.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -16.751 8.480 7.483 1.00 0.00 H new ATOM 1055 N THR B 12 -11.384 9.536 5.238 1.00 0.00 N ATOM 1056 CA THR B 12 -10.245 8.651 5.435 1.00 0.00 C ATOM 1057 C THR B 12 -10.689 7.326 6.044 1.00 0.00 C ATOM 1058 O THR B 12 -11.412 7.307 7.040 1.00 0.00 O ATOM 1059 CB THR B 12 -9.190 9.294 6.353 1.00 0.00 C ATOM 1060 OG1 THR B 12 -8.765 10.549 5.809 1.00 0.00 O ATOM 1061 CG2 THR B 12 -7.986 8.378 6.523 1.00 0.00 C ATOM 0 H THR B 12 -11.592 10.137 6.035 1.00 0.00 H new ATOM 0 HA THR B 12 -9.803 8.473 4.455 1.00 0.00 H new ATOM 0 HB THR B 12 -9.645 9.456 7.330 1.00 0.00 H new ATOM 0 HG1 THR B 12 -8.095 10.952 6.400 1.00 0.00 H new ATOM 0 HG21 THR B 12 -7.255 8.855 7.176 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.306 7.435 6.965 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.533 8.188 5.550 1.00 0.00 H new ATOM 1069 N ILE B 13 -10.254 6.222 5.449 1.00 0.00 N ATOM 1070 CA ILE B 13 -10.613 4.902 5.951 1.00 0.00 C ATOM 1071 C ILE B 13 -9.449 4.224 6.652 1.00 0.00 C ATOM 1072 O ILE B 13 -8.352 4.116 6.104 1.00 0.00 O ATOM 1073 CB ILE B 13 -11.114 3.965 4.835 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -10.772 4.522 3.454 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -12.606 3.725 4.973 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -11.266 3.657 2.316 1.00 0.00 C ATOM 0 H ILE B 13 -9.656 6.214 4.623 1.00 0.00 H new ATOM 0 HA ILE B 13 -11.420 5.076 6.663 1.00 0.00 H new ATOM 0 HB ILE B 13 -10.604 3.008 4.939 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -11.203 5.519 3.356 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.691 4.633 3.373 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -12.943 3.061 4.177 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -12.813 3.266 5.940 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -13.135 4.675 4.902 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -10.988 4.113 1.366 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -10.815 2.667 2.389 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.351 3.567 2.372 1.00 0.00 H new ATOM 1088 N THR B 14 -9.712 3.739 7.857 1.00 0.00 N ATOM 1089 CA THR B 14 -8.708 3.033 8.631 1.00 0.00 C ATOM 1090 C THR B 14 -9.055 1.552 8.646 1.00 0.00 C ATOM 1091 O THR B 14 -10.222 1.190 8.797 1.00 0.00 O ATOM 1092 CB THR B 14 -8.626 3.558 10.073 1.00 0.00 C ATOM 1093 OG1 THR B 14 -8.821 4.977 10.089 1.00 0.00 O ATOM 1094 CG2 THR B 14 -7.272 3.234 10.678 1.00 0.00 C ATOM 0 H THR B 14 -10.617 3.823 8.319 1.00 0.00 H new ATOM 0 HA THR B 14 -7.736 3.196 8.166 1.00 0.00 H new ATOM 0 HB THR B 14 -9.406 3.074 10.660 1.00 0.00 H new ATOM 0 HG1 THR B 14 -8.769 5.304 11.011 1.00 0.00 H new ATOM 0 HG21 THR B 14 -7.230 3.612 11.699 1.00 0.00 H new ATOM 0 HG22 THR B 14 -7.126 2.154 10.685 1.00 0.00 H new ATOM 0 HG23 THR B 14 -6.487 3.703 10.085 1.00 0.00 H new ATOM 1102 N LEU B 15 -8.062 0.696 8.455 1.00 0.00 N ATOM 1103 CA LEU B 15 -8.320 -0.736 8.414 1.00 0.00 C ATOM 1104 C LEU B 15 -7.037 -1.552 8.595 1.00 0.00 C ATOM 1105 O LEU B 15 -6.128 -1.505 7.770 1.00 0.00 O ATOM 1106 CB LEU B 15 -9.015 -1.057 7.080 1.00 0.00 C ATOM 1107 CG LEU B 15 -8.520 -2.297 6.335 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -8.927 -3.565 7.064 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -9.064 -2.301 4.914 1.00 0.00 C ATOM 0 H LEU B 15 -7.085 0.962 8.328 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.969 -1.015 9.244 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -10.081 -1.177 7.271 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.904 -0.196 6.421 1.00 0.00 H new ATOM 0 HG LEU B 15 -7.431 -2.266 6.297 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.563 -4.433 6.514 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -8.497 -3.563 8.065 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.014 -3.610 7.136 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.707 -3.188 4.390 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -10.154 -2.310 4.942 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.722 -1.408 4.391 1.00 0.00 H new ATOM 1121 N GLU B 16 -6.980 -2.301 9.692 1.00 0.00 N ATOM 1122 CA GLU B 16 -5.824 -3.134 10.006 1.00 0.00 C ATOM 1123 C GLU B 16 -5.810 -4.410 9.165 1.00 0.00 C ATOM 1124 O GLU B 16 -6.848 -5.036 8.952 1.00 0.00 O ATOM 1125 CB GLU B 16 -5.834 -3.487 11.493 1.00 0.00 C ATOM 1126 CG GLU B 16 -7.079 -4.246 11.923 1.00 0.00 C ATOM 1127 CD GLU B 16 -7.160 -4.443 13.422 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -6.233 -4.001 14.130 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -8.152 -5.038 13.890 1.00 0.00 O ATOM 0 H GLU B 16 -7.728 -2.348 10.384 1.00 0.00 H new ATOM 0 HA GLU B 16 -4.922 -2.569 9.769 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -4.954 -4.087 11.723 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -5.756 -2.570 12.077 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -7.963 -3.706 11.584 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -7.093 -5.219 11.432 1.00 0.00 H new ATOM 1136 N VAL B 17 -4.623 -4.792 8.697 1.00 0.00 N ATOM 1137 CA VAL B 17 -4.459 -5.996 7.885 1.00 0.00 C ATOM 1138 C VAL B 17 -3.067 -6.592 8.066 1.00 0.00 C ATOM 1139 O VAL B 17 -2.073 -5.870 8.116 1.00 0.00 O ATOM 1140 CB VAL B 17 -4.683 -5.713 6.387 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -6.129 -5.351 6.115 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -3.767 -4.604 5.910 1.00 0.00 C ATOM 0 H VAL B 17 -3.756 -4.282 8.868 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.213 -6.705 8.228 1.00 0.00 H new ATOM 0 HB VAL B 17 -4.447 -6.623 5.835 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -6.261 -5.156 5.051 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.774 -6.177 6.415 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.394 -4.459 6.683 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -3.941 -4.419 4.850 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -3.972 -3.695 6.475 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.729 -4.899 6.062 1.00 0.00 H new ATOM 1152 N GLU B 18 -3.005 -7.914 8.171 1.00 0.00 N ATOM 1153 CA GLU B 18 -1.736 -8.609 8.355 1.00 0.00 C ATOM 1154 C GLU B 18 -0.855 -8.488 7.112 1.00 0.00 C ATOM 1155 O GLU B 18 -1.343 -8.561 5.984 1.00 0.00 O ATOM 1156 CB GLU B 18 -1.982 -10.081 8.683 1.00 0.00 C ATOM 1157 CG GLU B 18 -2.883 -10.290 9.888 1.00 0.00 C ATOM 1158 CD GLU B 18 -3.106 -11.756 10.205 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -2.556 -12.612 9.481 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -3.831 -12.049 11.179 1.00 0.00 O ATOM 0 H GLU B 18 -3.819 -8.527 8.132 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.213 -8.140 9.189 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -2.428 -10.569 7.816 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.025 -10.569 8.866 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.443 -9.798 10.755 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -3.845 -9.812 9.704 1.00 0.00 H new ATOM 1167 N PRO B 19 0.463 -8.303 7.308 1.00 0.00 N ATOM 1168 CA PRO B 19 1.427 -8.173 6.207 1.00 0.00 C ATOM 1169 C PRO B 19 1.354 -9.336 5.229 1.00 0.00 C ATOM 1170 O PRO B 19 1.510 -9.160 4.020 1.00 0.00 O ATOM 1171 CB PRO B 19 2.792 -8.178 6.908 1.00 0.00 C ATOM 1172 CG PRO B 19 2.529 -8.625 8.307 1.00 0.00 C ATOM 1173 CD PRO B 19 1.123 -8.208 8.617 1.00 0.00 C ATOM 0 HA PRO B 19 1.233 -7.277 5.617 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.487 -8.852 6.406 1.00 0.00 H new ATOM 0 HB3 PRO B 19 3.243 -7.186 6.893 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.645 -9.705 8.400 1.00 0.00 H new ATOM 0 HG3 PRO B 19 3.234 -8.168 9.002 1.00 0.00 H new ATOM 0 HD2 PRO B 19 0.659 -8.864 9.353 1.00 0.00 H new ATOM 0 HD3 PRO B 19 1.080 -7.196 9.020 1.00 0.00 H new ATOM 1181 N SER B 20 1.133 -10.526 5.766 1.00 0.00 N ATOM 1182 CA SER B 20 1.054 -11.733 4.961 1.00 0.00 C ATOM 1183 C SER B 20 -0.130 -11.680 4.004 1.00 0.00 C ATOM 1184 O SER B 20 -0.069 -12.214 2.897 1.00 0.00 O ATOM 1185 CB SER B 20 0.948 -12.952 5.873 1.00 0.00 C ATOM 1186 OG SER B 20 0.881 -14.153 5.123 1.00 0.00 O ATOM 0 H SER B 20 1.004 -10.681 6.766 1.00 0.00 H new ATOM 0 HA SER B 20 1.961 -11.809 4.362 1.00 0.00 H new ATOM 0 HB2 SER B 20 1.809 -12.985 6.540 1.00 0.00 H new ATOM 0 HB3 SER B 20 0.061 -12.863 6.501 1.00 0.00 H new ATOM 0 HG SER B 20 0.815 -14.917 5.734 1.00 0.00 H new ATOM 1192 N ASP B 21 -1.206 -11.031 4.436 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.401 -10.905 3.612 1.00 0.00 C ATOM 1194 C ASP B 21 -2.073 -10.263 2.266 1.00 0.00 C ATOM 1195 O ASP B 21 -1.373 -9.254 2.199 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.467 -10.090 4.346 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.119 -10.875 5.467 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -3.388 -11.360 6.355 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -5.360 -11.005 5.457 1.00 0.00 O ATOM 0 H ASP B 21 -1.274 -10.585 5.351 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.791 -11.905 3.423 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -3.014 -9.186 4.754 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -4.231 -9.771 3.636 1.00 0.00 H new ATOM 1204 N THR B 22 -2.581 -10.869 1.196 1.00 0.00 N ATOM 1205 CA THR B 22 -2.344 -10.379 -0.158 1.00 0.00 C ATOM 1206 C THR B 22 -2.877 -8.965 -0.349 1.00 0.00 C ATOM 1207 O THR B 22 -3.865 -8.572 0.273 1.00 0.00 O ATOM 1208 CB THR B 22 -2.992 -11.300 -1.206 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.409 -11.360 -0.999 1.00 0.00 O ATOM 1210 CG2 THR B 22 -2.403 -12.698 -1.127 1.00 0.00 C ATOM 0 H THR B 22 -3.163 -11.705 1.242 1.00 0.00 H new ATOM 0 HA THR B 22 -1.263 -10.372 -0.298 1.00 0.00 H new ATOM 0 HB THR B 22 -2.789 -10.890 -2.196 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.813 -11.947 -1.672 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.874 -13.334 -1.876 1.00 0.00 H new ATOM 0 HG22 THR B 22 -1.330 -12.652 -1.313 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.581 -13.112 -0.135 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.215 -8.207 -1.218 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.618 -6.835 -1.504 1.00 0.00 C ATOM 1220 C ILE B 23 -4.077 -6.778 -1.946 1.00 0.00 C ATOM 1221 O ILE B 23 -4.842 -5.929 -1.489 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.739 -6.203 -2.604 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.266 -6.216 -2.185 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.200 -4.782 -2.898 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.669 -5.657 -3.237 1.00 0.00 C ATOM 0 H ILE B 23 -1.395 -8.521 -1.737 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.491 -6.269 -0.581 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.842 -6.794 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.153 -5.639 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE B 23 0.029 -7.240 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.571 -4.349 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.236 -4.798 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.124 -4.180 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.695 -5.698 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.585 -6.248 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.401 -4.622 -3.449 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.455 -7.691 -2.837 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.823 -7.749 -3.341 1.00 0.00 C ATOM 1239 C GLU B 24 -6.813 -7.960 -2.200 1.00 0.00 C ATOM 1240 O GLU B 24 -7.875 -7.340 -2.165 1.00 0.00 O ATOM 1241 CB GLU B 24 -5.963 -8.868 -4.375 1.00 0.00 C ATOM 1242 CG GLU B 24 -5.600 -10.244 -3.841 1.00 0.00 C ATOM 1243 CD GLU B 24 -5.746 -11.333 -4.886 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -5.063 -11.251 -5.928 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -6.544 -12.267 -4.662 1.00 0.00 O ATOM 0 H GLU B 24 -3.833 -8.400 -3.224 1.00 0.00 H new ATOM 0 HA GLU B 24 -6.049 -6.797 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -6.991 -8.889 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -5.327 -8.641 -5.231 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -4.572 -10.229 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -6.236 -10.478 -2.987 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.453 -8.835 -1.266 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.304 -9.124 -0.117 1.00 0.00 C ATOM 1254 C ASN B 25 -7.521 -7.865 0.718 1.00 0.00 C ATOM 1255 O ASN B 25 -8.639 -7.571 1.141 1.00 0.00 O ATOM 1256 CB ASN B 25 -6.677 -10.225 0.739 1.00 0.00 C ATOM 1257 CG ASN B 25 -7.471 -10.511 1.997 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -8.659 -10.831 1.937 1.00 0.00 O ATOM 1259 ND2 ASN B 25 -6.815 -10.404 3.146 1.00 0.00 N ATOM 0 H ASN B 25 -5.577 -9.357 -1.283 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.272 -9.469 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -6.598 -11.138 0.149 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -5.663 -9.934 1.013 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -7.295 -10.590 4.027 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -5.831 -10.136 3.148 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.440 -7.126 0.941 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.493 -5.892 1.714 1.00 0.00 C ATOM 1268 C VAL B 26 -7.406 -4.861 1.055 1.00 0.00 C ATOM 1269 O VAL B 26 -8.250 -4.253 1.713 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.082 -5.290 1.879 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -5.147 -3.826 2.279 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.276 -6.094 2.885 1.00 0.00 C ATOM 0 H VAL B 26 -5.510 -7.363 0.594 1.00 0.00 H new ATOM 0 HA VAL B 26 -6.898 -6.143 2.695 1.00 0.00 H new ATOM 0 HB VAL B 26 -4.579 -5.342 0.914 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -4.136 -3.433 2.387 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -5.676 -3.262 1.511 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -5.676 -3.731 3.227 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.283 -5.656 2.989 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.782 -6.081 3.850 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -4.184 -7.123 2.538 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.223 -4.668 -0.245 1.00 0.00 N ATOM 1283 CA LYS B 27 -8.019 -3.708 -0.999 1.00 0.00 C ATOM 1284 C LYS B 27 -9.488 -4.121 -1.046 1.00 0.00 C ATOM 1285 O LYS B 27 -10.381 -3.276 -1.001 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.464 -3.565 -2.416 1.00 0.00 C ATOM 1287 CG LYS B 27 -5.988 -3.197 -2.449 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.480 -3.001 -3.869 1.00 0.00 C ATOM 1289 CE LYS B 27 -5.671 -4.252 -4.713 1.00 0.00 C ATOM 1290 NZ LYS B 27 -5.138 -4.078 -6.092 1.00 0.00 N ATOM 0 H LYS B 27 -6.528 -5.166 -0.801 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.958 -2.745 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.610 -4.503 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -8.034 -2.802 -2.947 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.830 -2.282 -1.878 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.408 -3.981 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -6.006 -2.166 -4.332 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.423 -2.737 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.170 -5.093 -4.234 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.732 -4.498 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.377 -4.913 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.559 -3.230 -6.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.104 -3.969 -6.054 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.732 -5.427 -1.136 1.00 0.00 N ATOM 1305 CA ALA B 28 -11.093 -5.949 -1.188 1.00 0.00 C ATOM 1306 C ALA B 28 -11.903 -5.494 0.020 1.00 0.00 C ATOM 1307 O ALA B 28 -13.110 -5.282 -0.072 1.00 0.00 O ATOM 1308 CB ALA B 28 -11.077 -7.468 -1.278 1.00 0.00 C ATOM 0 H ALA B 28 -9.005 -6.141 -1.174 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.572 -5.552 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -12.100 -7.841 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.546 -7.773 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.573 -7.879 -0.403 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.233 -5.340 1.155 1.00 0.00 N ATOM 1315 CA LYS B 29 -11.893 -4.899 2.373 1.00 0.00 C ATOM 1316 C LYS B 29 -12.312 -3.446 2.232 1.00 0.00 C ATOM 1317 O LYS B 29 -13.335 -3.023 2.769 1.00 0.00 O ATOM 1318 CB LYS B 29 -10.954 -5.052 3.570 1.00 0.00 C ATOM 1319 CG LYS B 29 -10.250 -6.394 3.616 1.00 0.00 C ATOM 1320 CD LYS B 29 -9.334 -6.503 4.824 1.00 0.00 C ATOM 1321 CE LYS B 29 -8.636 -7.852 4.875 1.00 0.00 C ATOM 1322 NZ LYS B 29 -9.607 -8.978 4.961 1.00 0.00 N ATOM 0 H LYS B 29 -10.233 -5.514 1.256 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.776 -5.516 2.538 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.207 -4.259 3.540 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.524 -4.918 4.489 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.990 -7.193 3.647 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.669 -6.532 2.704 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.589 -5.708 4.790 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.914 -6.358 5.736 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -8.017 -7.974 3.986 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -7.968 -7.883 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.106 -9.849 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.330 -8.759 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.064 -9.113 4.037 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.498 -2.687 1.508 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.755 -1.273 1.287 1.00 0.00 C ATOM 1338 C ILE B 30 -13.071 -1.050 0.540 1.00 0.00 C ATOM 1339 O ILE B 30 -13.840 -0.158 0.895 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.598 -0.612 0.518 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.277 -0.820 1.266 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -10.874 0.874 0.327 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -8.074 -0.237 0.555 1.00 0.00 C ATOM 0 H ILE B 30 -10.648 -3.033 1.062 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.835 -0.807 2.269 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.517 -1.079 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.356 -0.370 2.256 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -9.118 -1.888 1.413 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -10.048 1.330 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.797 1.003 -0.238 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -10.975 1.353 1.301 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -7.177 -0.424 1.145 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -7.968 -0.704 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -8.210 0.837 0.431 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.347 -1.866 -0.482 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.594 -1.731 -1.229 1.00 0.00 C ATOM 1357 C GLN B 31 -15.751 -2.084 -0.310 1.00 0.00 C ATOM 1358 O GLN B 31 -16.745 -1.367 -0.232 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.607 -2.625 -2.471 1.00 0.00 C ATOM 1360 CG GLN B 31 -14.665 -4.110 -2.158 1.00 0.00 C ATOM 1361 CD GLN B 31 -14.700 -4.987 -3.394 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -14.706 -6.214 -3.292 1.00 0.00 O ATOM 1363 NE2 GLN B 31 -14.732 -4.372 -4.570 1.00 0.00 N ATOM 0 H GLN B 31 -12.733 -2.614 -0.805 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.689 -0.702 -1.574 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -15.465 -2.360 -3.089 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -13.714 -2.423 -3.062 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.798 -4.380 -1.555 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -15.549 -4.312 -1.554 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -14.726 -3.353 -4.613 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -14.763 -4.919 -5.431 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.591 -3.180 0.423 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.602 -3.598 1.376 1.00 0.00 C ATOM 1374 C ASP B 32 -16.795 -2.471 2.377 1.00 0.00 C ATOM 1375 O ASP B 32 -17.886 -2.247 2.902 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.163 -4.876 2.096 1.00 0.00 C ATOM 1377 CG ASP B 32 -17.201 -5.384 3.080 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -18.291 -4.781 3.163 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -16.925 -6.393 3.764 1.00 0.00 O ATOM 0 H ASP B 32 -14.775 -3.789 0.374 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.538 -3.811 0.860 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -15.959 -5.651 1.358 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -15.229 -4.687 2.626 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.698 -1.761 2.613 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.668 -0.635 3.528 1.00 0.00 C ATOM 1386 C LYS B 33 -16.383 0.572 2.918 1.00 0.00 C ATOM 1387 O LYS B 33 -16.992 1.371 3.629 1.00 0.00 O ATOM 1388 CB LYS B 33 -14.211 -0.292 3.852 1.00 0.00 C ATOM 1389 CG LYS B 33 -14.036 0.540 5.107 1.00 0.00 C ATOM 1390 CD LYS B 33 -14.530 -0.198 6.340 1.00 0.00 C ATOM 1391 CE LYS B 33 -14.364 0.647 7.589 1.00 0.00 C ATOM 1392 NZ LYS B 33 -15.082 1.946 7.473 1.00 0.00 N ATOM 0 H LYS B 33 -14.800 -1.955 2.170 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.189 -0.902 4.448 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.646 -1.218 3.961 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -13.779 0.247 3.008 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -12.984 0.795 5.232 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -14.580 1.478 5.001 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -15.580 -0.461 6.213 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -13.979 -1.131 6.453 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -14.741 0.099 8.452 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -13.304 0.831 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -15.576 2.151 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -14.398 2.704 7.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -15.774 1.892 6.699 1.00 0.00 H new ATOM 1406 N GLU B 34 -16.307 0.691 1.591 1.00 0.00 N ATOM 1407 CA GLU B 34 -16.951 1.794 0.879 1.00 0.00 C ATOM 1408 C GLU B 34 -17.598 1.306 -0.417 1.00 0.00 C ATOM 1409 O GLU B 34 -18.821 1.346 -0.559 1.00 0.00 O ATOM 1410 CB GLU B 34 -15.933 2.896 0.569 1.00 0.00 C ATOM 1411 CG GLU B 34 -16.514 4.071 -0.206 1.00 0.00 C ATOM 1412 CD GLU B 34 -17.587 4.821 0.562 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -17.900 4.416 1.701 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -18.115 5.815 0.024 1.00 0.00 O ATOM 0 H GLU B 34 -15.806 0.037 0.989 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.731 2.199 1.524 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -15.513 3.263 1.505 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -15.110 2.467 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -15.711 4.761 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -16.934 3.707 -1.144 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.779 0.835 -1.357 1.00 0.00 N ATOM 1422 CA GLY B 35 -17.312 0.339 -2.615 1.00 0.00 C ATOM 1423 C GLY B 35 -16.288 0.317 -3.735 1.00 0.00 C ATOM 1424 O GLY B 35 -16.345 -0.541 -4.616 1.00 0.00 O ATOM 0 H GLY B 35 -15.764 0.788 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.698 -0.669 -2.465 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -18.155 0.962 -2.915 1.00 0.00 H new ATOM 1428 N ILE B 36 -15.365 1.270 -3.709 1.00 0.00 N ATOM 1429 CA ILE B 36 -14.334 1.376 -4.739 1.00 0.00 C ATOM 1430 C ILE B 36 -13.629 0.049 -4.989 1.00 0.00 C ATOM 1431 O ILE B 36 -13.145 -0.593 -4.058 1.00 0.00 O ATOM 1432 CB ILE B 36 -13.258 2.426 -4.385 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -13.462 2.988 -2.974 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.253 3.539 -5.414 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -13.236 1.972 -1.873 1.00 0.00 C ATOM 0 H ILE B 36 -15.308 1.985 -2.983 1.00 0.00 H new ATOM 0 HA ILE B 36 -14.865 1.685 -5.640 1.00 0.00 H new ATOM 0 HB ILE B 36 -12.287 1.931 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -12.783 3.828 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -14.476 3.380 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.490 4.273 -5.153 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.035 3.124 -6.398 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.230 4.022 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -13.399 2.443 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.933 1.143 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.214 1.598 -1.927 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.545 -0.367 -6.264 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.877 -1.613 -6.647 1.00 0.00 C ATOM 1449 C PRO B 37 -11.443 -1.667 -6.126 1.00 0.00 C ATOM 1450 O PRO B 37 -10.737 -0.658 -6.136 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.886 -1.570 -8.176 1.00 0.00 C ATOM 1452 CG PRO B 37 -14.029 -0.683 -8.524 1.00 0.00 C ATOM 1453 CD PRO B 37 -14.084 0.350 -7.436 1.00 0.00 C ATOM 0 HA PRO B 37 -13.374 -2.491 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.947 -1.177 -8.566 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -13.015 -2.566 -8.599 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -13.882 -0.218 -9.499 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -14.961 -1.247 -8.577 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.485 1.227 -7.682 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -15.102 0.698 -7.262 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.995 -2.843 -5.661 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.639 -3.017 -5.130 1.00 0.00 C ATOM 1463 C PRO B 38 -8.562 -2.530 -6.096 1.00 0.00 C ATOM 1464 O PRO B 38 -7.548 -1.974 -5.680 1.00 0.00 O ATOM 1465 CB PRO B 38 -9.527 -4.530 -4.927 1.00 0.00 C ATOM 1466 CG PRO B 38 -10.932 -4.993 -4.747 1.00 0.00 C ATOM 1467 CD PRO B 38 -11.774 -4.094 -5.609 1.00 0.00 C ATOM 0 HA PRO B 38 -9.485 -2.436 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -9.059 -5.011 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.917 -4.769 -4.056 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -11.041 -6.036 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.234 -4.928 -3.702 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.924 -4.516 -6.603 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.762 -3.934 -5.178 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.788 -2.752 -7.385 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.835 -2.349 -8.412 1.00 0.00 C ATOM 1477 C ASP B 39 -7.618 -0.839 -8.414 1.00 0.00 C ATOM 1478 O ASP B 39 -6.506 -0.368 -8.650 1.00 0.00 O ATOM 1479 CB ASP B 39 -8.315 -2.807 -9.789 1.00 0.00 C ATOM 1480 CG ASP B 39 -8.488 -4.312 -9.870 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -7.507 -5.037 -9.610 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -9.605 -4.764 -10.197 1.00 0.00 O ATOM 0 H ASP B 39 -9.625 -3.210 -7.745 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.882 -2.827 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -9.263 -2.322 -10.020 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.600 -2.485 -10.546 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.684 -0.081 -8.172 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.593 1.372 -8.170 1.00 0.00 C ATOM 1489 C GLN B 40 -7.660 1.880 -7.073 1.00 0.00 C ATOM 1490 O GLN B 40 -6.910 2.833 -7.286 1.00 0.00 O ATOM 1491 CB GLN B 40 -9.980 1.997 -8.033 1.00 0.00 C ATOM 1492 CG GLN B 40 -10.903 1.663 -9.195 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.216 2.422 -9.157 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -13.080 2.229 -10.013 1.00 0.00 O ATOM 1495 NE2 GLN B 40 -12.377 3.296 -8.170 1.00 0.00 N ATOM 0 H GLN B 40 -9.615 -0.448 -7.976 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.167 1.676 -9.126 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.436 1.654 -7.104 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.878 3.080 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.391 1.884 -10.132 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.110 0.593 -9.189 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -11.638 3.428 -7.480 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.240 3.836 -8.102 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.704 1.247 -5.902 1.00 0.00 N ATOM 1505 CA GLN B 41 -6.850 1.652 -4.787 1.00 0.00 C ATOM 1506 C GLN B 41 -5.385 1.688 -5.218 1.00 0.00 C ATOM 1507 O GLN B 41 -4.864 0.711 -5.756 1.00 0.00 O ATOM 1508 CB GLN B 41 -7.021 0.701 -3.599 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.327 0.883 -2.834 1.00 0.00 C ATOM 1510 CD GLN B 41 -9.560 0.627 -3.680 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -9.859 1.375 -4.610 1.00 0.00 O ATOM 1512 NE2 GLN B 41 -10.286 -0.437 -3.357 1.00 0.00 N ATOM 0 H GLN B 41 -8.317 0.457 -5.701 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.151 2.653 -4.479 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.965 -0.326 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.187 0.844 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.336 0.208 -1.978 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -8.370 1.898 -2.439 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -10.002 -1.031 -2.578 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -11.128 -0.660 -3.888 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.730 2.824 -4.991 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.335 2.991 -5.370 1.00 0.00 C ATOM 1523 C ARG B 42 -2.386 2.626 -4.232 1.00 0.00 C ATOM 1524 O ARG B 42 -2.509 3.137 -3.120 1.00 0.00 O ATOM 1525 CB ARG B 42 -3.072 4.428 -5.824 1.00 0.00 C ATOM 1526 CG ARG B 42 -3.864 4.830 -7.057 1.00 0.00 C ATOM 1527 CD ARG B 42 -3.562 6.262 -7.470 1.00 0.00 C ATOM 1528 NE ARG B 42 -4.315 6.659 -8.657 1.00 0.00 N ATOM 1529 CZ ARG B 42 -4.227 7.860 -9.220 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -3.420 8.779 -8.707 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -4.945 8.141 -10.299 1.00 0.00 N ATOM 0 H ARG B 42 -5.146 3.642 -4.546 1.00 0.00 H new ATOM 0 HA ARG B 42 -3.143 2.308 -6.198 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.315 5.108 -5.008 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -2.008 4.546 -6.031 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.627 4.155 -7.879 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.930 4.725 -6.856 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -3.802 6.935 -6.647 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -2.495 6.365 -7.666 1.00 0.00 H new ATOM 0 HE ARG B 42 -4.944 5.976 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -2.865 8.565 -7.878 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -3.354 9.700 -9.141 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -5.565 7.436 -10.697 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -4.877 9.063 -10.731 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.430 1.750 -4.527 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.444 1.325 -3.537 1.00 0.00 C ATOM 1547 C LEU B 43 0.566 2.431 -3.254 1.00 0.00 C ATOM 1548 O LEU B 43 1.158 2.996 -4.172 1.00 0.00 O ATOM 1549 CB LEU B 43 0.280 0.064 -4.015 1.00 0.00 C ATOM 1550 CG LEU B 43 -0.394 -1.258 -3.638 1.00 0.00 C ATOM 1551 CD1 LEU B 43 -1.869 -1.240 -4.007 1.00 0.00 C ATOM 1552 CD2 LEU B 43 0.310 -2.424 -4.314 1.00 0.00 C ATOM 0 H LEU B 43 -1.317 1.320 -5.445 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.974 1.103 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.375 0.108 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.290 0.068 -3.606 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.317 -1.384 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.325 -2.190 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.367 -0.429 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.973 -1.088 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.181 -3.356 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.265 -2.299 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU B 43 1.352 -2.454 -3.996 1.00 0.00 H new ATOM 1564 N ILE B 44 0.759 2.727 -1.973 1.00 0.00 N ATOM 1565 CA ILE B 44 1.700 3.758 -1.555 1.00 0.00 C ATOM 1566 C ILE B 44 2.393 3.357 -0.257 1.00 0.00 C ATOM 1567 O ILE B 44 1.743 2.935 0.699 1.00 0.00 O ATOM 1568 CB ILE B 44 0.998 5.116 -1.362 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.345 5.562 -2.671 1.00 0.00 C ATOM 1570 CG2 ILE B 44 1.988 6.163 -0.869 1.00 0.00 C ATOM 1571 CD1 ILE B 44 -0.460 6.835 -2.546 1.00 0.00 C ATOM 0 H ILE B 44 0.274 2.265 -1.204 1.00 0.00 H new ATOM 0 HA ILE B 44 2.443 3.860 -2.346 1.00 0.00 H new ATOM 0 HB ILE B 44 0.219 5.004 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.121 5.706 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.305 4.765 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.475 7.116 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.410 5.844 0.084 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.789 6.279 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.893 7.089 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.259 6.691 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.190 7.645 -2.216 1.00 0.00 H new ATOM 1583 N PHE B 45 3.716 3.480 -0.234 1.00 0.00 N ATOM 1584 CA PHE B 45 4.500 3.119 0.943 1.00 0.00 C ATOM 1585 C PHE B 45 5.439 4.255 1.336 1.00 0.00 C ATOM 1586 O PHE B 45 5.946 4.972 0.476 1.00 0.00 O ATOM 1587 CB PHE B 45 5.315 1.847 0.679 1.00 0.00 C ATOM 1588 CG PHE B 45 4.491 0.660 0.257 1.00 0.00 C ATOM 1589 CD1 PHE B 45 3.832 0.650 -0.963 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.377 -0.447 1.081 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.077 -0.439 -1.351 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.624 -1.540 0.699 1.00 0.00 C ATOM 1593 CZ PHE B 45 2.972 -1.536 -0.519 1.00 0.00 C ATOM 0 H PHE B 45 4.269 3.827 -1.018 1.00 0.00 H new ATOM 0 HA PHE B 45 3.806 2.934 1.763 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.053 2.056 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE B 45 5.867 1.589 1.583 1.00 0.00 H new ATOM 0 HD1 PHE B 45 3.910 1.505 -1.618 1.00 0.00 H new ATOM 0 HD2 PHE B 45 4.884 -0.456 2.035 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.569 -0.433 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.545 -2.397 1.352 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.382 -2.389 -0.820 1.00 0.00 H new ATOM 1603 N ALA B 46 5.669 4.418 2.638 1.00 0.00 N ATOM 1604 CA ALA B 46 6.554 5.475 3.119 1.00 0.00 C ATOM 1605 C ALA B 46 7.134 5.137 4.488 1.00 0.00 C ATOM 1606 O ALA B 46 6.400 4.845 5.431 1.00 0.00 O ATOM 1607 CB ALA B 46 5.811 6.803 3.169 1.00 0.00 C ATOM 0 H ALA B 46 5.260 3.838 3.371 1.00 0.00 H new ATOM 0 HA ALA B 46 7.385 5.560 2.419 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.483 7.582 3.529 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.459 7.061 2.170 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.959 6.718 3.843 1.00 0.00 H new ATOM 1613 N GLY B 47 8.460 5.182 4.587 1.00 0.00 N ATOM 1614 CA GLY B 47 9.125 4.881 5.841 1.00 0.00 C ATOM 1615 C GLY B 47 8.738 5.842 6.946 1.00 0.00 C ATOM 1616 O GLY B 47 8.641 7.049 6.721 1.00 0.00 O ATOM 0 H GLY B 47 9.086 5.422 3.819 1.00 0.00 H new ATOM 0 HA2 GLY B 47 8.878 3.864 6.145 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.204 4.916 5.694 1.00 0.00 H new