USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 Single : A 2 GLN : amide:sc= -1.03 K(o=-1,f=-2.1) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= 0.0602 (180deg=-0.625) USER MOD Single : A 7 THR OG1 : rot -79:sc= 0.0307 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.214 (180deg=-0.956) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -10:sc= 0.186! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.33! USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0.741 (180deg=0.704) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.0725 (180deg=-0.77) USER MOD Single : A 31 GLN : amide:sc= -0.0652 X(o=-0.065,f=-0.54) USER MOD Single : A 33 LYS NZ :NH3+ -127:sc= 0.014 (180deg=-0.104) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.16! C(o=-3.2!,f=-6.8!) USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 0.42 (180deg=0.0804) USER MOD Single : A 49 GLN : amide:sc= -4.15! C(o=-4.1!,f=-2.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0485) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -27:sc= 0.479! USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.00062) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 50.784 -5.459 4.824 1.00 0.00 N ATOM 21 CA GLN A 2 52.100 -5.968 4.453 1.00 0.00 C ATOM 22 C GLN A 2 52.578 -5.320 3.157 1.00 0.00 C ATOM 23 O GLN A 2 51.787 -4.717 2.430 1.00 0.00 O ATOM 24 CB GLN A 2 52.031 -7.490 4.294 1.00 0.00 C ATOM 25 CG GLN A 2 52.087 -8.158 5.672 1.00 0.00 C ATOM 26 CD GLN A 2 50.827 -7.829 6.463 1.00 0.00 C ATOM 27 OE1 GLN A 2 50.775 -6.813 7.157 1.00 0.00 O ATOM 28 NE2 GLN A 2 49.801 -8.635 6.403 1.00 0.00 N ATOM 0 HA GLN A 2 52.813 -5.720 5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 2 51.111 -7.770 3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.859 -7.838 3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 2 52.183 -9.238 5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 2 52.967 -7.815 6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 2 49.846 -9.476 5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 2 48.955 -8.423 6.932 1.00 0.00 H new ATOM 37 N ILE A 3 53.874 -5.441 2.870 1.00 0.00 N ATOM 38 CA ILE A 3 54.429 -4.856 1.652 1.00 0.00 C ATOM 39 C ILE A 3 55.070 -5.926 0.782 1.00 0.00 C ATOM 40 O ILE A 3 55.520 -6.965 1.269 1.00 0.00 O ATOM 41 CB ILE A 3 55.436 -3.745 1.989 1.00 0.00 C ATOM 42 CG1 ILE A 3 54.661 -2.427 2.142 1.00 0.00 C ATOM 43 CG2 ILE A 3 56.480 -3.607 0.864 1.00 0.00 C ATOM 44 CD1 ILE A 3 55.611 -1.234 2.114 1.00 0.00 C ATOM 0 H ILE A 3 54.550 -5.932 3.455 1.00 0.00 H new ATOM 0 HA ILE A 3 53.611 -4.409 1.087 1.00 0.00 H new ATOM 0 HB ILE A 3 55.960 -3.989 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 3 53.930 -2.334 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 3 54.105 -2.433 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 3 57.186 -2.816 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.016 -4.549 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 3 55.977 -3.358 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 3 55.040 -0.312 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 3 56.325 -1.318 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 3 56.147 -1.218 1.165 1.00 0.00 H new ATOM 56 N PHE A 4 55.083 -5.658 -0.517 1.00 0.00 N ATOM 57 CA PHE A 4 55.640 -6.583 -1.491 1.00 0.00 C ATOM 58 C PHE A 4 56.431 -5.813 -2.546 1.00 0.00 C ATOM 59 O PHE A 4 55.967 -4.798 -3.060 1.00 0.00 O ATOM 60 CB PHE A 4 54.488 -7.355 -2.139 1.00 0.00 C ATOM 61 CG PHE A 4 54.876 -7.807 -3.525 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.110 -8.427 -3.733 1.00 0.00 C ATOM 63 CD2 PHE A 4 53.998 -7.609 -4.600 1.00 0.00 C ATOM 64 CE1 PHE A 4 56.474 -8.854 -5.014 1.00 0.00 C ATOM 65 CE2 PHE A 4 54.363 -8.037 -5.884 1.00 0.00 C ATOM 66 CZ PHE A 4 55.600 -8.660 -6.090 1.00 0.00 C ATOM 0 H PHE A 4 54.710 -4.799 -0.922 1.00 0.00 H new ATOM 0 HA PHE A 4 56.319 -7.282 -1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 4 54.230 -8.219 -1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 4 53.601 -6.724 -2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.784 -8.577 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 4 53.044 -7.129 -4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 4 57.429 -9.333 -5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 4 53.690 -7.886 -6.715 1.00 0.00 H new ATOM 0 HZ PHE A 4 55.880 -8.991 -7.079 1.00 0.00 H new ATOM 76 N VAL A 5 57.631 -6.296 -2.856 1.00 0.00 N ATOM 77 CA VAL A 5 58.488 -5.636 -3.843 1.00 0.00 C ATOM 78 C VAL A 5 58.880 -6.598 -4.963 1.00 0.00 C ATOM 79 O VAL A 5 59.093 -7.785 -4.729 1.00 0.00 O ATOM 80 CB VAL A 5 59.753 -5.107 -3.163 1.00 0.00 C ATOM 81 CG1 VAL A 5 60.671 -4.484 -4.215 1.00 0.00 C ATOM 82 CG2 VAL A 5 59.375 -4.046 -2.123 1.00 0.00 C ATOM 0 H VAL A 5 58.033 -7.137 -2.442 1.00 0.00 H new ATOM 0 HA VAL A 5 57.927 -4.808 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 5 60.269 -5.930 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 5 61.573 -4.106 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 5 60.943 -5.238 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 5 60.153 -3.662 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 5 60.278 -3.671 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 5 58.858 -3.222 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 5 58.720 -4.489 -1.373 1.00 0.00 H new ATOM 92 N LYS A 6 58.979 -6.077 -6.183 1.00 0.00 N ATOM 93 CA LYS A 6 59.356 -6.903 -7.328 1.00 0.00 C ATOM 94 C LYS A 6 60.832 -6.694 -7.659 1.00 0.00 C ATOM 95 O LYS A 6 61.336 -5.572 -7.608 1.00 0.00 O ATOM 96 CB LYS A 6 58.497 -6.541 -8.546 1.00 0.00 C ATOM 97 CG LYS A 6 59.144 -7.097 -9.819 1.00 0.00 C ATOM 98 CD LYS A 6 58.147 -7.019 -10.975 1.00 0.00 C ATOM 99 CE LYS A 6 58.740 -7.703 -12.211 1.00 0.00 C ATOM 100 NZ LYS A 6 60.218 -7.498 -12.237 1.00 0.00 N ATOM 0 H LYS A 6 58.805 -5.096 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 6 59.190 -7.950 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 6 57.493 -6.949 -8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 6 58.394 -5.458 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 6 60.042 -6.529 -10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 6 59.453 -8.130 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 6 57.211 -7.501 -10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 6 57.915 -5.978 -11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 6 58.511 -8.769 -12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 6 58.290 -7.294 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 60.589 -7.764 -13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 60.433 -6.498 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 60.663 -8.089 -11.506 1.00 0.00 H new ATOM 114 N THR A 7 61.517 -7.785 -7.993 1.00 0.00 N ATOM 115 CA THR A 7 62.938 -7.722 -8.330 1.00 0.00 C ATOM 116 C THR A 7 63.163 -8.128 -9.784 1.00 0.00 C ATOM 117 O THR A 7 62.310 -8.769 -10.399 1.00 0.00 O ATOM 118 CB THR A 7 63.728 -8.656 -7.409 1.00 0.00 C ATOM 119 OG1 THR A 7 63.069 -9.912 -7.336 1.00 0.00 O ATOM 120 CG2 THR A 7 63.820 -8.047 -6.010 1.00 0.00 C ATOM 0 H THR A 7 61.113 -8.721 -8.038 1.00 0.00 H new ATOM 0 HA THR A 7 63.282 -6.697 -8.195 1.00 0.00 H new ATOM 0 HB THR A 7 64.733 -8.792 -7.808 1.00 0.00 H new ATOM 0 HG1 THR A 7 62.310 -9.848 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 7 64.383 -8.715 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.326 -7.083 -6.065 1.00 0.00 H new ATOM 0 HG23 THR A 7 62.817 -7.908 -5.607 1.00 0.00 H new ATOM 128 N LEU A 8 64.318 -7.754 -10.329 1.00 0.00 N ATOM 129 CA LEU A 8 64.644 -8.088 -11.712 1.00 0.00 C ATOM 130 C LEU A 8 64.873 -9.590 -11.853 1.00 0.00 C ATOM 131 O LEU A 8 65.090 -10.094 -12.955 1.00 0.00 O ATOM 132 CB LEU A 8 65.902 -7.339 -12.180 1.00 0.00 C ATOM 133 CG LEU A 8 65.784 -5.821 -11.923 1.00 0.00 C ATOM 134 CD1 LEU A 8 64.346 -5.337 -12.149 1.00 0.00 C ATOM 135 CD2 LEU A 8 66.225 -5.491 -10.487 1.00 0.00 C ATOM 0 H LEU A 8 65.038 -7.224 -9.839 1.00 0.00 H new ATOM 0 HA LEU A 8 63.802 -7.785 -12.334 1.00 0.00 H new ATOM 0 HB2 LEU A 8 66.775 -7.731 -11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 8 66.059 -7.518 -13.244 1.00 0.00 H new ATOM 0 HG LEU A 8 66.437 -5.306 -12.628 1.00 0.00 H new ATOM 0 HD11 LEU A 8 64.289 -4.265 -11.962 1.00 0.00 H new ATOM 0 HD12 LEU A 8 64.051 -5.542 -13.178 1.00 0.00 H new ATOM 0 HD13 LEU A 8 63.675 -5.860 -11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 8 66.138 -4.418 -10.317 1.00 0.00 H new ATOM 0 HD22 LEU A 8 65.589 -6.023 -9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 8 67.261 -5.798 -10.345 1.00 0.00 H new ATOM 147 N THR A 9 64.825 -10.301 -10.730 1.00 0.00 N ATOM 148 CA THR A 9 65.029 -11.747 -10.740 1.00 0.00 C ATOM 149 C THR A 9 63.694 -12.474 -10.877 1.00 0.00 C ATOM 150 O THR A 9 63.656 -13.672 -11.162 1.00 0.00 O ATOM 151 CB THR A 9 65.719 -12.184 -9.448 1.00 0.00 C ATOM 152 OG1 THR A 9 66.789 -11.295 -9.163 1.00 0.00 O ATOM 153 CG2 THR A 9 66.264 -13.604 -9.610 1.00 0.00 C ATOM 0 H THR A 9 64.648 -9.903 -9.808 1.00 0.00 H new ATOM 0 HA THR A 9 65.659 -12.002 -11.593 1.00 0.00 H new ATOM 0 HB THR A 9 65.000 -12.166 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 9 67.232 -11.572 -8.334 1.00 0.00 H new ATOM 0 HG21 THR A 9 66.755 -13.913 -8.687 1.00 0.00 H new ATOM 0 HG22 THR A 9 65.443 -14.286 -9.829 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.983 -13.627 -10.429 1.00 0.00 H new ATOM 161 N GLY A 10 62.603 -11.744 -10.673 1.00 0.00 N ATOM 162 CA GLY A 10 61.272 -12.329 -10.775 1.00 0.00 C ATOM 163 C GLY A 10 60.920 -13.100 -9.507 1.00 0.00 C ATOM 164 O GLY A 10 59.976 -13.890 -9.489 1.00 0.00 O ATOM 0 H GLY A 10 62.614 -10.752 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 10 60.536 -11.543 -10.944 1.00 0.00 H new ATOM 0 HA3 GLY A 10 61.228 -12.996 -11.636 1.00 0.00 H new ATOM 168 N LYS A 11 61.686 -12.864 -8.446 1.00 0.00 N ATOM 169 CA LYS A 11 61.449 -13.540 -7.174 1.00 0.00 C ATOM 170 C LYS A 11 60.564 -12.680 -6.275 1.00 0.00 C ATOM 171 O LYS A 11 60.817 -11.489 -6.093 1.00 0.00 O ATOM 172 CB LYS A 11 62.791 -13.823 -6.480 1.00 0.00 C ATOM 173 CG LYS A 11 62.827 -15.275 -5.992 1.00 0.00 C ATOM 174 CD LYS A 11 64.173 -15.559 -5.321 1.00 0.00 C ATOM 175 CE LYS A 11 64.185 -16.988 -4.778 1.00 0.00 C ATOM 176 NZ LYS A 11 63.679 -17.919 -5.823 1.00 0.00 N ATOM 0 H LYS A 11 62.472 -12.214 -8.441 1.00 0.00 H new ATOM 0 HA LYS A 11 60.938 -14.484 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.614 -13.642 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 11 62.926 -13.143 -5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 11 62.014 -15.453 -5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 11 62.677 -15.955 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 11 64.983 -15.425 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 11 64.343 -14.850 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 11 65.197 -17.269 -4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 11 63.564 -17.054 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 64.006 -18.884 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 62.639 -17.900 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 64.038 -17.625 -6.754 1.00 0.00 H new ATOM 190 N THR A 12 59.523 -13.290 -5.719 1.00 0.00 N ATOM 191 CA THR A 12 58.605 -12.567 -4.845 1.00 0.00 C ATOM 192 C THR A 12 59.218 -12.360 -3.464 1.00 0.00 C ATOM 193 O THR A 12 59.542 -13.322 -2.767 1.00 0.00 O ATOM 194 CB THR A 12 57.287 -13.340 -4.710 1.00 0.00 C ATOM 195 OG1 THR A 12 56.515 -12.770 -3.662 1.00 0.00 O ATOM 196 CG2 THR A 12 57.571 -14.815 -4.390 1.00 0.00 C ATOM 0 H THR A 12 59.294 -14.275 -5.856 1.00 0.00 H new ATOM 0 HA THR A 12 58.411 -11.591 -5.291 1.00 0.00 H new ATOM 0 HB THR A 12 56.738 -13.279 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 12 55.671 -13.260 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 12 56.629 -15.355 -4.296 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.162 -15.254 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 12 58.124 -14.884 -3.453 1.00 0.00 H new ATOM 204 N ILE A 13 59.362 -11.095 -3.071 1.00 0.00 N ATOM 205 CA ILE A 13 59.924 -10.760 -1.765 1.00 0.00 C ATOM 206 C ILE A 13 58.874 -10.045 -0.915 1.00 0.00 C ATOM 207 O ILE A 13 58.397 -8.969 -1.273 1.00 0.00 O ATOM 208 CB ILE A 13 61.171 -9.874 -1.935 1.00 0.00 C ATOM 209 CG1 ILE A 13 62.045 -9.968 -0.676 1.00 0.00 C ATOM 210 CG2 ILE A 13 60.756 -8.415 -2.150 1.00 0.00 C ATOM 211 CD1 ILE A 13 63.334 -9.151 -0.863 1.00 0.00 C ATOM 0 H ILE A 13 59.098 -10.288 -3.637 1.00 0.00 H new ATOM 0 HA ILE A 13 60.219 -11.679 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 13 61.733 -10.220 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 13 61.493 -9.597 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 13 62.292 -11.010 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 13 61.646 -7.797 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 13 60.140 -8.340 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 13 60.186 -8.068 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 13 63.946 -9.225 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 13 63.892 -9.541 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 13 63.080 -8.107 -1.044 1.00 0.00 H new ATOM 223 N THR A 14 58.512 -10.655 0.208 1.00 0.00 N ATOM 224 CA THR A 14 57.514 -10.072 1.100 1.00 0.00 C ATOM 225 C THR A 14 58.145 -9.725 2.444 1.00 0.00 C ATOM 226 O THR A 14 58.901 -10.516 3.007 1.00 0.00 O ATOM 227 CB THR A 14 56.366 -11.059 1.317 1.00 0.00 C ATOM 228 OG1 THR A 14 56.682 -11.911 2.408 1.00 0.00 O ATOM 229 CG2 THR A 14 56.163 -11.898 0.054 1.00 0.00 C ATOM 0 H THR A 14 58.892 -11.548 0.522 1.00 0.00 H new ATOM 0 HA THR A 14 57.128 -9.162 0.641 1.00 0.00 H new ATOM 0 HB THR A 14 55.450 -10.510 1.534 1.00 0.00 H new ATOM 0 HG1 THR A 14 57.620 -11.785 2.661 1.00 0.00 H new ATOM 0 HG21 THR A 14 55.344 -12.600 0.211 1.00 0.00 H new ATOM 0 HG22 THR A 14 55.923 -11.243 -0.783 1.00 0.00 H new ATOM 0 HG23 THR A 14 57.077 -12.449 -0.167 1.00 0.00 H new ATOM 237 N LEU A 15 57.825 -8.538 2.951 1.00 0.00 N ATOM 238 CA LEU A 15 58.365 -8.085 4.231 1.00 0.00 C ATOM 239 C LEU A 15 57.251 -7.934 5.246 1.00 0.00 C ATOM 240 O LEU A 15 56.130 -7.565 4.898 1.00 0.00 O ATOM 241 CB LEU A 15 59.087 -6.734 4.063 1.00 0.00 C ATOM 242 CG LEU A 15 59.265 -6.406 2.577 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.969 -5.053 2.438 1.00 0.00 C ATOM 244 CD2 LEU A 15 60.109 -7.498 1.897 1.00 0.00 C ATOM 0 H LEU A 15 57.197 -7.874 2.498 1.00 0.00 H new ATOM 0 HA LEU A 15 59.077 -8.831 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.514 -5.945 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 15 60.060 -6.771 4.553 1.00 0.00 H new ATOM 0 HG LEU A 15 58.287 -6.362 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 15 60.097 -4.816 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 15 59.366 -4.279 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 15 60.945 -5.100 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 15 60.231 -7.258 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 15 61.088 -7.550 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.606 -8.460 1.995 1.00 0.00 H new ATOM 256 N GLU A 16 57.561 -8.186 6.512 1.00 0.00 N ATOM 257 CA GLU A 16 56.556 -8.027 7.542 1.00 0.00 C ATOM 258 C GLU A 16 56.747 -6.644 8.126 1.00 0.00 C ATOM 259 O GLU A 16 57.750 -6.363 8.779 1.00 0.00 O ATOM 260 CB GLU A 16 56.727 -9.094 8.629 1.00 0.00 C ATOM 261 CG GLU A 16 57.018 -10.452 7.979 1.00 0.00 C ATOM 262 CD GLU A 16 57.374 -11.482 9.047 1.00 0.00 C ATOM 263 OE1 GLU A 16 56.468 -11.961 9.710 1.00 0.00 O ATOM 264 OE2 GLU A 16 58.549 -11.779 9.187 1.00 0.00 O ATOM 0 H GLU A 16 58.477 -8.493 6.839 1.00 0.00 H new ATOM 0 HA GLU A 16 55.554 -8.143 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 16 57.542 -8.818 9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 16 55.824 -9.157 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 16 56.147 -10.788 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 16 57.839 -10.355 7.269 1.00 0.00 H new ATOM 271 N VAL A 17 55.799 -5.768 7.830 1.00 0.00 N ATOM 272 CA VAL A 17 55.895 -4.391 8.271 1.00 0.00 C ATOM 273 C VAL A 17 54.531 -3.773 8.499 1.00 0.00 C ATOM 274 O VAL A 17 53.499 -4.348 8.156 1.00 0.00 O ATOM 275 CB VAL A 17 56.610 -3.595 7.183 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.784 -3.663 5.898 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.758 -2.132 7.605 1.00 0.00 C ATOM 0 H VAL A 17 54.962 -5.987 7.290 1.00 0.00 H new ATOM 0 HA VAL A 17 56.438 -4.369 9.216 1.00 0.00 H new ATOM 0 HB VAL A 17 57.601 -4.019 7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.285 -3.097 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.680 -4.702 5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.796 -3.238 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.270 -1.577 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.771 -1.700 7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.339 -2.076 8.526 1.00 0.00 H new ATOM 287 N GLU A 18 54.557 -2.551 9.020 1.00 0.00 N ATOM 288 CA GLU A 18 53.349 -1.776 9.234 1.00 0.00 C ATOM 289 C GLU A 18 53.371 -0.643 8.210 1.00 0.00 C ATOM 290 O GLU A 18 54.436 -0.265 7.731 1.00 0.00 O ATOM 291 CB GLU A 18 53.316 -1.211 10.664 1.00 0.00 C ATOM 292 CG GLU A 18 54.206 -2.061 11.576 1.00 0.00 C ATOM 293 CD GLU A 18 55.669 -1.672 11.391 1.00 0.00 C ATOM 294 OE1 GLU A 18 55.944 -0.881 10.505 1.00 0.00 O ATOM 295 OE2 GLU A 18 56.493 -2.172 12.139 1.00 0.00 O ATOM 0 H GLU A 18 55.414 -2.075 9.303 1.00 0.00 H new ATOM 0 HA GLU A 18 52.460 -2.395 9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.661 -0.177 10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.293 -1.206 11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 18 53.913 -1.921 12.616 1.00 0.00 H new ATOM 0 HG3 GLU A 18 54.071 -3.118 11.347 1.00 0.00 H new ATOM 302 N PRO A 19 52.253 -0.113 7.844 1.00 0.00 N ATOM 303 CA PRO A 19 52.198 0.956 6.842 1.00 0.00 C ATOM 304 C PRO A 19 53.158 2.086 7.120 1.00 0.00 C ATOM 305 O PRO A 19 53.309 2.948 6.264 1.00 0.00 O ATOM 306 CB PRO A 19 50.766 1.474 6.876 1.00 0.00 C ATOM 307 CG PRO A 19 50.050 0.697 7.923 1.00 0.00 C ATOM 308 CD PRO A 19 50.932 -0.467 8.317 1.00 0.00 C ATOM 0 HA PRO A 19 52.489 0.562 5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.746 2.540 7.105 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.286 1.347 5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 19 49.838 1.326 8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.092 0.340 7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 19 50.927 -0.618 9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.586 -1.396 7.863 1.00 0.00 H new ATOM 316 N SER A 20 53.839 2.131 8.274 1.00 0.00 N ATOM 317 CA SER A 20 54.726 3.261 8.415 1.00 0.00 C ATOM 318 C SER A 20 55.913 2.951 7.551 1.00 0.00 C ATOM 319 O SER A 20 56.440 3.831 6.880 1.00 0.00 O ATOM 320 CB SER A 20 55.172 3.437 9.866 1.00 0.00 C ATOM 321 OG SER A 20 54.033 3.684 10.678 1.00 0.00 O ATOM 0 H SER A 20 53.796 1.465 9.045 1.00 0.00 H new ATOM 0 HA SER A 20 54.230 4.187 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.692 2.543 10.210 1.00 0.00 H new ATOM 0 HB3 SER A 20 55.876 4.265 9.945 1.00 0.00 H new ATOM 0 HG SER A 20 54.314 3.796 11.610 1.00 0.00 H new ATOM 327 N ASP A 21 56.183 1.655 7.396 1.00 0.00 N ATOM 328 CA ASP A 21 57.133 1.233 6.397 1.00 0.00 C ATOM 329 C ASP A 21 58.202 2.274 6.169 1.00 0.00 C ATOM 330 O ASP A 21 58.209 2.865 5.090 1.00 0.00 O ATOM 331 CB ASP A 21 56.444 0.855 5.097 1.00 0.00 C ATOM 332 CG ASP A 21 56.275 -0.652 5.002 1.00 0.00 C ATOM 333 OD1 ASP A 21 57.262 -1.323 4.760 1.00 0.00 O ATOM 334 OD2 ASP A 21 55.158 -1.112 5.162 1.00 0.00 O ATOM 0 H ASP A 21 55.762 0.903 7.941 1.00 0.00 H new ATOM 0 HA ASP A 21 57.626 0.339 6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.470 1.340 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.029 1.215 4.251 1.00 0.00 H new ATOM 339 N THR A 22 59.055 2.612 7.103 1.00 0.00 N ATOM 340 CA THR A 22 59.943 3.693 6.746 1.00 0.00 C ATOM 341 C THR A 22 61.063 3.084 5.957 1.00 0.00 C ATOM 342 O THR A 22 61.547 1.992 6.236 1.00 0.00 O ATOM 343 CB THR A 22 60.485 4.412 7.994 1.00 0.00 C ATOM 344 OG1 THR A 22 61.837 4.042 8.211 1.00 0.00 O ATOM 345 CG2 THR A 22 59.645 4.040 9.220 1.00 0.00 C ATOM 0 H THR A 22 59.155 2.202 8.032 1.00 0.00 H new ATOM 0 HA THR A 22 59.413 4.446 6.163 1.00 0.00 H new ATOM 0 HB THR A 22 60.427 5.489 7.836 1.00 0.00 H new ATOM 0 HG1 THR A 22 62.179 4.503 9.005 1.00 0.00 H new ATOM 0 HG21 THR A 22 60.036 4.554 10.098 1.00 0.00 H new ATOM 0 HG22 THR A 22 58.610 4.339 9.056 1.00 0.00 H new ATOM 0 HG23 THR A 22 59.691 2.963 9.379 1.00 0.00 H new ATOM 353 N ILE A 23 61.364 3.784 4.879 1.00 0.00 N ATOM 354 CA ILE A 23 62.322 3.325 3.900 1.00 0.00 C ATOM 355 C ILE A 23 63.640 3.012 4.552 1.00 0.00 C ATOM 356 O ILE A 23 64.320 2.074 4.149 1.00 0.00 O ATOM 357 CB ILE A 23 62.432 4.372 2.789 1.00 0.00 C ATOM 358 CG1 ILE A 23 61.151 5.238 2.845 1.00 0.00 C ATOM 359 CG2 ILE A 23 62.532 3.664 1.430 1.00 0.00 C ATOM 360 CD1 ILE A 23 61.058 6.174 1.639 1.00 0.00 C ATOM 0 H ILE A 23 60.948 4.689 4.660 1.00 0.00 H new ATOM 0 HA ILE A 23 61.987 2.392 3.447 1.00 0.00 H new ATOM 0 HB ILE A 23 63.318 4.993 2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 23 60.274 4.592 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 23 61.146 5.824 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 23 62.610 4.408 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 23 63.415 3.025 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 23 61.642 3.056 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 23 60.147 6.768 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 23 61.923 6.837 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 23 61.038 5.585 0.722 1.00 0.00 H new ATOM 372 N GLU A 24 63.964 3.722 5.613 1.00 0.00 N ATOM 373 CA GLU A 24 65.164 3.393 6.338 1.00 0.00 C ATOM 374 C GLU A 24 64.880 2.054 7.009 1.00 0.00 C ATOM 375 O GLU A 24 65.769 1.228 7.221 1.00 0.00 O ATOM 376 CB GLU A 24 65.477 4.469 7.384 1.00 0.00 C ATOM 377 CG GLU A 24 66.811 4.153 8.078 1.00 0.00 C ATOM 378 CD GLU A 24 66.560 3.610 9.481 1.00 0.00 C ATOM 379 OE1 GLU A 24 65.926 2.574 9.589 1.00 0.00 O ATOM 380 OE2 GLU A 24 67.007 4.240 10.426 1.00 0.00 O ATOM 0 H GLU A 24 63.428 4.508 5.981 1.00 0.00 H new ATOM 0 HA GLU A 24 66.031 3.338 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 24 65.528 5.448 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 24 64.676 4.515 8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 24 67.370 3.423 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 24 67.423 5.053 8.133 1.00 0.00 H new ATOM 387 N ASN A 25 63.589 1.864 7.311 1.00 0.00 N ATOM 388 CA ASN A 25 63.088 0.642 7.936 1.00 0.00 C ATOM 389 C ASN A 25 62.948 -0.501 6.927 1.00 0.00 C ATOM 390 O ASN A 25 63.316 -1.640 7.211 1.00 0.00 O ATOM 391 CB ASN A 25 61.727 0.924 8.582 1.00 0.00 C ATOM 392 CG ASN A 25 61.589 0.142 9.887 1.00 0.00 C ATOM 393 OD1 ASN A 25 61.714 -1.082 9.895 1.00 0.00 O ATOM 394 ND2 ASN A 25 61.339 0.780 10.997 1.00 0.00 N ATOM 0 H ASN A 25 62.864 2.558 7.127 1.00 0.00 H new ATOM 0 HA ASN A 25 63.810 0.331 8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.623 1.991 8.777 1.00 0.00 H new ATOM 0 HB3 ASN A 25 60.926 0.646 7.897 1.00 0.00 H new ATOM 0 HD21 ASN A 25 61.247 0.264 11.872 1.00 0.00 H new ATOM 0 HD22 ASN A 25 61.235 1.795 10.990 1.00 0.00 H new ATOM 401 N VAL A 26 62.393 -0.192 5.757 1.00 0.00 N ATOM 402 CA VAL A 26 62.186 -1.206 4.729 1.00 0.00 C ATOM 403 C VAL A 26 63.503 -1.622 4.091 1.00 0.00 C ATOM 404 O VAL A 26 63.678 -2.776 3.712 1.00 0.00 O ATOM 405 CB VAL A 26 61.245 -0.688 3.641 1.00 0.00 C ATOM 406 CG1 VAL A 26 61.055 -1.777 2.580 1.00 0.00 C ATOM 407 CG2 VAL A 26 59.895 -0.339 4.268 1.00 0.00 C ATOM 0 H VAL A 26 62.081 0.745 5.500 1.00 0.00 H new ATOM 0 HA VAL A 26 61.739 -2.073 5.215 1.00 0.00 H new ATOM 0 HB VAL A 26 61.669 0.202 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 26 60.385 -1.413 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 26 62.020 -2.028 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 26 60.625 -2.665 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 26 59.220 0.031 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 26 59.467 -1.229 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 26 60.035 0.431 5.027 1.00 0.00 H new ATOM 417 N LYS A 27 64.417 -0.671 3.959 1.00 0.00 N ATOM 418 CA LYS A 27 65.704 -0.946 3.336 1.00 0.00 C ATOM 419 C LYS A 27 66.394 -2.125 4.001 1.00 0.00 C ATOM 420 O LYS A 27 66.807 -3.069 3.329 1.00 0.00 O ATOM 421 CB LYS A 27 66.594 0.297 3.448 1.00 0.00 C ATOM 422 CG LYS A 27 66.804 0.909 2.064 1.00 0.00 C ATOM 423 CD LYS A 27 65.470 1.460 1.548 1.00 0.00 C ATOM 424 CE LYS A 27 65.397 1.288 0.034 1.00 0.00 C ATOM 425 NZ LYS A 27 66.594 1.914 -0.594 1.00 0.00 N ATOM 0 H LYS A 27 64.293 0.292 4.273 1.00 0.00 H new ATOM 0 HA LYS A 27 65.536 -1.196 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 27 66.132 1.027 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 27 67.555 0.029 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 27 67.545 1.707 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.191 0.157 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 27 64.640 0.937 2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 27 65.375 2.514 1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.351 0.229 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.488 1.749 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 66.497 1.888 -1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.675 2.902 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 67.447 1.390 -0.313 1.00 0.00 H new ATOM 439 N ALA A 28 66.514 -2.076 5.315 1.00 0.00 N ATOM 440 CA ALA A 28 67.156 -3.162 6.028 1.00 0.00 C ATOM 441 C ALA A 28 66.380 -4.455 5.802 1.00 0.00 C ATOM 442 O ALA A 28 66.970 -5.530 5.689 1.00 0.00 O ATOM 443 CB ALA A 28 67.240 -2.838 7.513 1.00 0.00 C ATOM 0 H ALA A 28 66.182 -1.310 5.901 1.00 0.00 H new ATOM 0 HA ALA A 28 68.170 -3.291 5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.724 -3.661 8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.820 -1.926 7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 28 66.236 -2.694 7.911 1.00 0.00 H new ATOM 449 N LYS A 29 65.055 -4.343 5.703 1.00 0.00 N ATOM 450 CA LYS A 29 64.226 -5.517 5.451 1.00 0.00 C ATOM 451 C LYS A 29 64.609 -6.107 4.098 1.00 0.00 C ATOM 452 O LYS A 29 64.636 -7.326 3.930 1.00 0.00 O ATOM 453 CB LYS A 29 62.726 -5.163 5.484 1.00 0.00 C ATOM 454 CG LYS A 29 62.202 -5.319 6.913 1.00 0.00 C ATOM 455 CD LYS A 29 60.789 -4.746 7.012 1.00 0.00 C ATOM 456 CE LYS A 29 60.396 -4.629 8.484 1.00 0.00 C ATOM 457 NZ LYS A 29 60.797 -5.870 9.203 1.00 0.00 N ATOM 0 H LYS A 29 64.542 -3.466 5.792 1.00 0.00 H new ATOM 0 HA LYS A 29 64.400 -6.251 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.574 -4.141 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.172 -5.814 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 29 62.198 -6.372 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.863 -4.804 7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.746 -3.768 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 29 60.085 -5.390 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.881 -3.762 8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 29 59.321 -4.475 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 60.253 -5.951 10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 60.606 -6.697 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.812 -5.830 9.424 1.00 0.00 H new ATOM 471 N ILE A 30 64.924 -5.233 3.137 1.00 0.00 N ATOM 472 CA ILE A 30 65.324 -5.699 1.815 1.00 0.00 C ATOM 473 C ILE A 30 66.616 -6.513 1.924 1.00 0.00 C ATOM 474 O ILE A 30 66.799 -7.504 1.219 1.00 0.00 O ATOM 475 CB ILE A 30 65.540 -4.527 0.851 1.00 0.00 C ATOM 476 CG1 ILE A 30 64.275 -3.658 0.779 1.00 0.00 C ATOM 477 CG2 ILE A 30 65.871 -5.071 -0.551 1.00 0.00 C ATOM 478 CD1 ILE A 30 63.045 -4.532 0.515 1.00 0.00 C ATOM 0 H ILE A 30 64.909 -4.219 3.250 1.00 0.00 H new ATOM 0 HA ILE A 30 64.522 -6.323 1.421 1.00 0.00 H new ATOM 0 HB ILE A 30 66.367 -3.917 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 30 64.147 -3.111 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 30 64.379 -2.916 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 30 66.025 -4.238 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 30 66.778 -5.674 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 30 65.045 -5.687 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.156 -3.904 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 30 63.169 -5.059 -0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 30 62.934 -5.257 1.322 1.00 0.00 H new ATOM 490 N GLN A 31 67.507 -6.082 2.814 1.00 0.00 N ATOM 491 CA GLN A 31 68.786 -6.766 3.022 1.00 0.00 C ATOM 492 C GLN A 31 68.617 -8.128 3.713 1.00 0.00 C ATOM 493 O GLN A 31 69.376 -9.060 3.452 1.00 0.00 O ATOM 494 CB GLN A 31 69.700 -5.884 3.880 1.00 0.00 C ATOM 495 CG GLN A 31 71.136 -6.422 3.839 1.00 0.00 C ATOM 496 CD GLN A 31 71.914 -5.931 5.057 1.00 0.00 C ATOM 497 OE1 GLN A 31 71.429 -6.024 6.183 1.00 0.00 O ATOM 498 NE2 GLN A 31 73.101 -5.411 4.896 1.00 0.00 N ATOM 0 H GLN A 31 67.369 -5.262 3.404 1.00 0.00 H new ATOM 0 HA GLN A 31 69.224 -6.943 2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 31 69.677 -4.857 3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 31 69.339 -5.864 4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 31 71.124 -7.512 3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 31 71.630 -6.093 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 31 73.502 -5.335 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 31 73.627 -5.081 5.705 1.00 0.00 H new ATOM 507 N ASP A 32 67.659 -8.215 4.633 1.00 0.00 N ATOM 508 CA ASP A 32 67.443 -9.445 5.406 1.00 0.00 C ATOM 509 C ASP A 32 67.038 -10.656 4.555 1.00 0.00 C ATOM 510 O ASP A 32 67.543 -11.758 4.775 1.00 0.00 O ATOM 511 CB ASP A 32 66.373 -9.200 6.471 1.00 0.00 C ATOM 512 CG ASP A 32 66.813 -8.074 7.400 1.00 0.00 C ATOM 513 OD1 ASP A 32 67.726 -7.352 7.033 1.00 0.00 O ATOM 514 OD2 ASP A 32 66.233 -7.950 8.467 1.00 0.00 O ATOM 0 H ASP A 32 67.020 -7.454 4.864 1.00 0.00 H new ATOM 0 HA ASP A 32 68.404 -9.690 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 32 65.427 -8.942 5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 32 66.203 -10.111 7.045 1.00 0.00 H new ATOM 519 N LYS A 33 66.120 -10.475 3.613 1.00 0.00 N ATOM 520 CA LYS A 33 65.670 -11.602 2.790 1.00 0.00 C ATOM 521 C LYS A 33 66.823 -12.194 1.985 1.00 0.00 C ATOM 522 O LYS A 33 67.101 -13.390 2.069 1.00 0.00 O ATOM 523 CB LYS A 33 64.554 -11.142 1.850 1.00 0.00 C ATOM 524 CG LYS A 33 63.539 -10.307 2.635 1.00 0.00 C ATOM 525 CD LYS A 33 63.100 -11.073 3.887 1.00 0.00 C ATOM 526 CE LYS A 33 61.841 -10.428 4.466 1.00 0.00 C ATOM 527 NZ LYS A 33 62.161 -9.051 4.936 1.00 0.00 N ATOM 0 H LYS A 33 65.678 -9.581 3.399 1.00 0.00 H new ATOM 0 HA LYS A 33 65.290 -12.379 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 33 64.971 -10.553 1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 33 64.062 -12.005 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 33 63.980 -9.351 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 33 62.674 -10.086 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 33 62.905 -12.116 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 33 63.899 -11.066 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 33 61.057 -10.393 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 33 61.460 -11.027 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 61.856 -8.942 5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 63.187 -8.891 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 61.664 -8.357 4.342 1.00 0.00 H new ATOM 541 N GLU A 34 67.504 -11.349 1.227 1.00 0.00 N ATOM 542 CA GLU A 34 68.644 -11.782 0.427 1.00 0.00 C ATOM 543 C GLU A 34 69.733 -10.731 0.541 1.00 0.00 C ATOM 544 O GLU A 34 69.478 -9.640 1.050 1.00 0.00 O ATOM 545 CB GLU A 34 68.231 -11.950 -1.040 1.00 0.00 C ATOM 546 CG GLU A 34 67.484 -13.278 -1.222 1.00 0.00 C ATOM 547 CD GLU A 34 66.579 -13.204 -2.449 1.00 0.00 C ATOM 548 OE1 GLU A 34 67.099 -13.257 -3.551 1.00 0.00 O ATOM 549 OE2 GLU A 34 65.377 -13.092 -2.267 1.00 0.00 O ATOM 0 H GLU A 34 67.288 -10.355 1.147 1.00 0.00 H new ATOM 0 HA GLU A 34 69.008 -12.743 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 34 67.594 -11.120 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 34 69.113 -11.928 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 34 68.198 -14.094 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 34 66.890 -13.495 -0.334 1.00 0.00 H new ATOM 556 N GLY A 35 70.945 -11.030 0.085 1.00 0.00 N ATOM 557 CA GLY A 35 71.989 -10.029 0.194 1.00 0.00 C ATOM 558 C GLY A 35 71.842 -9.003 -0.900 1.00 0.00 C ATOM 559 O GLY A 35 72.094 -9.263 -2.076 1.00 0.00 O ATOM 0 H GLY A 35 71.217 -11.915 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 35 71.936 -9.543 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 35 72.967 -10.505 0.127 1.00 0.00 H new ATOM 563 N ILE A 36 71.484 -7.822 -0.467 1.00 0.00 N ATOM 564 CA ILE A 36 71.343 -6.683 -1.332 1.00 0.00 C ATOM 565 C ILE A 36 71.581 -5.482 -0.448 1.00 0.00 C ATOM 566 O ILE A 36 70.833 -5.268 0.507 1.00 0.00 O ATOM 567 CB ILE A 36 69.934 -6.651 -1.959 1.00 0.00 C ATOM 568 CG1 ILE A 36 69.578 -5.234 -2.456 1.00 0.00 C ATOM 569 CG2 ILE A 36 68.899 -7.091 -0.923 1.00 0.00 C ATOM 570 CD1 ILE A 36 70.109 -5.024 -3.878 1.00 0.00 C ATOM 0 H ILE A 36 71.279 -7.623 0.512 1.00 0.00 H new ATOM 0 HA ILE A 36 72.045 -6.708 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 36 69.927 -7.332 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 36 68.497 -5.096 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.005 -4.488 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.905 -7.067 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 36 69.124 -8.105 -0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 36 68.929 -6.415 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.852 -4.021 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 36 71.193 -5.142 -3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.661 -5.760 -4.546 1.00 0.00 H new ATOM 582 N PRO A 37 72.572 -4.695 -0.703 1.00 0.00 N ATOM 583 CA PRO A 37 72.809 -3.529 0.155 1.00 0.00 C ATOM 584 C PRO A 37 71.655 -2.537 0.011 1.00 0.00 C ATOM 585 O PRO A 37 71.282 -2.177 -1.106 1.00 0.00 O ATOM 586 CB PRO A 37 74.143 -2.955 -0.326 1.00 0.00 C ATOM 587 CG PRO A 37 74.640 -3.820 -1.447 1.00 0.00 C ATOM 588 CD PRO A 37 73.545 -4.829 -1.790 1.00 0.00 C ATOM 0 HA PRO A 37 72.857 -3.774 1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 37 74.016 -1.927 -0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 37 74.866 -2.935 0.490 1.00 0.00 H new ATOM 0 HG2 PRO A 37 74.883 -3.212 -2.318 1.00 0.00 H new ATOM 0 HG3 PRO A 37 75.554 -4.336 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 37 73.093 -4.611 -2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.942 -5.843 -1.845 1.00 0.00 H new ATOM 596 N PRO A 38 71.068 -2.109 1.101 1.00 0.00 N ATOM 597 CA PRO A 38 69.921 -1.165 1.055 1.00 0.00 C ATOM 598 C PRO A 38 70.288 0.157 0.382 1.00 0.00 C ATOM 599 O PRO A 38 69.431 0.828 -0.191 1.00 0.00 O ATOM 600 CB PRO A 38 69.503 -0.955 2.511 1.00 0.00 C ATOM 601 CG PRO A 38 70.420 -1.773 3.370 1.00 0.00 C ATOM 602 CD PRO A 38 71.437 -2.480 2.472 1.00 0.00 C ATOM 0 HA PRO A 38 69.106 -1.570 0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.567 0.100 2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.467 -1.259 2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 38 70.932 -1.135 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.849 -2.504 3.942 1.00 0.00 H new ATOM 0 HD2 PRO A 38 72.454 -2.164 2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.400 -3.561 2.611 1.00 0.00 H new ATOM 610 N ASP A 39 71.563 0.525 0.453 1.00 0.00 N ATOM 611 CA ASP A 39 72.015 1.767 -0.161 1.00 0.00 C ATOM 612 C ASP A 39 71.921 1.673 -1.682 1.00 0.00 C ATOM 613 O ASP A 39 71.750 2.681 -2.369 1.00 0.00 O ATOM 614 CB ASP A 39 73.462 2.060 0.247 1.00 0.00 C ATOM 615 CG ASP A 39 73.699 1.617 1.686 1.00 0.00 C ATOM 616 OD1 ASP A 39 73.577 0.432 1.949 1.00 0.00 O ATOM 617 OD2 ASP A 39 73.999 2.469 2.506 1.00 0.00 O ATOM 0 H ASP A 39 72.293 -0.011 0.923 1.00 0.00 H new ATOM 0 HA ASP A 39 71.373 2.577 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 39 74.149 1.539 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 39 73.668 3.126 0.148 1.00 0.00 H new ATOM 622 N GLN A 40 72.034 0.453 -2.199 1.00 0.00 N ATOM 623 CA GLN A 40 71.961 0.228 -3.640 1.00 0.00 C ATOM 624 C GLN A 40 70.535 -0.124 -4.053 1.00 0.00 C ATOM 625 O GLN A 40 70.204 -0.126 -5.238 1.00 0.00 O ATOM 626 CB GLN A 40 72.905 -0.915 -4.031 1.00 0.00 C ATOM 627 CG GLN A 40 73.194 -0.862 -5.537 1.00 0.00 C ATOM 628 CD GLN A 40 73.570 -2.251 -6.049 1.00 0.00 C ATOM 629 OE1 GLN A 40 72.884 -2.803 -6.910 1.00 0.00 O ATOM 630 NE2 GLN A 40 74.623 -2.852 -5.565 1.00 0.00 N ATOM 0 H GLN A 40 72.176 -0.392 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 40 72.260 1.142 -4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 40 73.836 -0.837 -3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.456 -1.874 -3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.318 -0.494 -6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 40 74.005 -0.161 -5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 40 75.190 -2.393 -4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 40 74.879 -3.781 -5.900 1.00 0.00 H new ATOM 639 N GLN A 41 69.695 -0.430 -3.068 1.00 0.00 N ATOM 640 CA GLN A 41 68.308 -0.791 -3.345 1.00 0.00 C ATOM 641 C GLN A 41 67.448 0.453 -3.563 1.00 0.00 C ATOM 642 O GLN A 41 67.595 1.453 -2.860 1.00 0.00 O ATOM 643 CB GLN A 41 67.739 -1.614 -2.190 1.00 0.00 C ATOM 644 CG GLN A 41 66.337 -2.113 -2.549 1.00 0.00 C ATOM 645 CD GLN A 41 66.390 -2.985 -3.802 1.00 0.00 C ATOM 646 OE1 GLN A 41 66.237 -2.484 -4.915 1.00 0.00 O ATOM 647 NE2 GLN A 41 66.603 -4.268 -3.685 1.00 0.00 N ATOM 0 H GLN A 41 69.947 -0.435 -2.080 1.00 0.00 H new ATOM 0 HA GLN A 41 68.291 -1.386 -4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.393 -2.460 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.698 -1.008 -1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 41 65.923 -2.684 -1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 41 65.673 -1.265 -2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 41 66.730 -4.682 -2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 41 66.643 -4.856 -4.517 1.00 0.00 H new ATOM 656 N ARG A 42 66.543 0.379 -4.541 1.00 0.00 N ATOM 657 CA ARG A 42 65.653 1.497 -4.850 1.00 0.00 C ATOM 658 C ARG A 42 64.196 1.049 -4.788 1.00 0.00 C ATOM 659 O ARG A 42 63.848 -0.024 -5.281 1.00 0.00 O ATOM 660 CB ARG A 42 65.956 2.036 -6.250 1.00 0.00 C ATOM 661 CG ARG A 42 65.208 3.362 -6.472 1.00 0.00 C ATOM 662 CD ARG A 42 66.148 4.541 -6.200 1.00 0.00 C ATOM 663 NE ARG A 42 65.403 5.797 -6.224 1.00 0.00 N ATOM 664 CZ ARG A 42 65.348 6.590 -5.156 1.00 0.00 C ATOM 665 NH1 ARG A 42 66.421 7.209 -4.745 1.00 0.00 N ATOM 666 NH2 ARG A 42 64.222 6.748 -4.517 1.00 0.00 N ATOM 0 H ARG A 42 66.408 -0.442 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 42 65.818 2.283 -4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 42 67.029 2.189 -6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.655 1.308 -7.003 1.00 0.00 H new ATOM 0 HG2 ARG A 42 64.834 3.412 -7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 42 64.342 3.416 -5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 42 66.630 4.415 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 42 66.939 4.565 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 42 64.915 6.072 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 42 67.303 7.086 -5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 42 66.378 7.816 -3.927 1.00 0.00 H new ATOM 0 HH21 ARG A 42 63.383 6.264 -4.835 1.00 0.00 H new ATOM 0 HH22 ARG A 42 64.181 7.356 -3.699 1.00 0.00 H new ATOM 680 N LEU A 43 63.349 1.876 -4.177 1.00 0.00 N ATOM 681 CA LEU A 43 61.928 1.552 -4.046 1.00 0.00 C ATOM 682 C LEU A 43 61.057 2.675 -4.622 1.00 0.00 C ATOM 683 O LEU A 43 61.247 3.849 -4.301 1.00 0.00 O ATOM 684 CB LEU A 43 61.589 1.344 -2.560 1.00 0.00 C ATOM 685 CG LEU A 43 61.473 -0.151 -2.238 1.00 0.00 C ATOM 686 CD1 LEU A 43 62.839 -0.828 -2.386 1.00 0.00 C ATOM 687 CD2 LEU A 43 60.983 -0.318 -0.798 1.00 0.00 C ATOM 0 H LEU A 43 63.619 2.770 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 43 61.724 0.639 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 43 62.361 1.797 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 43 60.652 1.847 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 43 60.768 -0.613 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 43 62.746 -1.889 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 43 63.195 -0.709 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 43 63.549 -0.368 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 43 60.899 -1.379 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 43 61.693 0.149 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 43 60.008 0.157 -0.688 1.00 0.00 H new ATOM 699 N ILE A 44 60.093 2.301 -5.466 1.00 0.00 N ATOM 700 CA ILE A 44 59.183 3.275 -6.078 1.00 0.00 C ATOM 701 C ILE A 44 57.744 2.756 -6.025 1.00 0.00 C ATOM 702 O ILE A 44 57.503 1.562 -6.193 1.00 0.00 O ATOM 703 CB ILE A 44 59.592 3.536 -7.533 1.00 0.00 C ATOM 704 CG1 ILE A 44 61.045 4.024 -7.566 1.00 0.00 C ATOM 705 CG2 ILE A 44 58.678 4.604 -8.150 1.00 0.00 C ATOM 706 CD1 ILE A 44 61.405 4.506 -8.975 1.00 0.00 C ATOM 0 H ILE A 44 59.922 1.334 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 44 59.243 4.210 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 44 59.498 2.614 -8.107 1.00 0.00 H new ATOM 0 HG12 ILE A 44 61.181 4.834 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.715 3.218 -7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 44 58.975 4.784 -9.183 1.00 0.00 H new ATOM 0 HG22 ILE A 44 57.645 4.258 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 44 58.765 5.530 -7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.439 4.851 -8.989 1.00 0.00 H new ATOM 0 HD12 ILE A 44 61.287 3.685 -9.682 1.00 0.00 H new ATOM 0 HD13 ILE A 44 60.745 5.326 -9.259 1.00 0.00 H new ATOM 718 N PHE A 45 56.791 3.660 -5.784 1.00 0.00 N ATOM 719 CA PHE A 45 55.383 3.268 -5.704 1.00 0.00 C ATOM 720 C PHE A 45 54.473 4.355 -6.277 1.00 0.00 C ATOM 721 O PHE A 45 54.668 5.542 -6.021 1.00 0.00 O ATOM 722 CB PHE A 45 55.005 2.999 -4.242 1.00 0.00 C ATOM 723 CG PHE A 45 53.506 3.109 -4.062 1.00 0.00 C ATOM 724 CD1 PHE A 45 52.932 4.342 -3.732 1.00 0.00 C ATOM 725 CD2 PHE A 45 52.693 1.980 -4.224 1.00 0.00 C ATOM 726 CE1 PHE A 45 51.547 4.448 -3.562 1.00 0.00 C ATOM 727 CE2 PHE A 45 51.306 2.085 -4.055 1.00 0.00 C ATOM 728 CZ PHE A 45 50.733 3.320 -3.725 1.00 0.00 C ATOM 0 H PHE A 45 56.965 4.655 -5.643 1.00 0.00 H new ATOM 0 HA PHE A 45 55.247 2.362 -6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 45 55.342 2.005 -3.948 1.00 0.00 H new ATOM 0 HB3 PHE A 45 55.510 3.712 -3.591 1.00 0.00 H new ATOM 0 HD1 PHE A 45 53.559 5.213 -3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 45 53.135 1.028 -4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 45 51.106 5.400 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 45 50.679 1.214 -4.179 1.00 0.00 H new ATOM 0 HZ PHE A 45 49.664 3.402 -3.596 1.00 0.00 H new ATOM 738 N ALA A 46 53.471 3.931 -7.043 1.00 0.00 N ATOM 739 CA ALA A 46 52.523 4.866 -7.639 1.00 0.00 C ATOM 740 C ALA A 46 53.254 6.035 -8.289 1.00 0.00 C ATOM 741 O ALA A 46 52.863 7.192 -8.127 1.00 0.00 O ATOM 742 CB ALA A 46 51.563 5.389 -6.567 1.00 0.00 C ATOM 0 H ALA A 46 53.296 2.951 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 46 51.957 4.339 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 46 50.858 6.087 -7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.017 4.554 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 46 52.130 5.900 -5.789 1.00 0.00 H new ATOM 748 N GLY A 47 54.316 5.726 -9.024 1.00 0.00 N ATOM 749 CA GLY A 47 55.094 6.760 -9.692 1.00 0.00 C ATOM 750 C GLY A 47 55.912 7.559 -8.684 1.00 0.00 C ATOM 751 O GLY A 47 56.886 8.218 -9.043 1.00 0.00 O ATOM 0 H GLY A 47 54.655 4.775 -9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 47 55.758 6.304 -10.426 1.00 0.00 H new ATOM 0 HA3 GLY A 47 54.427 7.428 -10.237 1.00 0.00 H new ATOM 755 N LYS A 48 55.507 7.494 -7.420 1.00 0.00 N ATOM 756 CA LYS A 48 56.209 8.216 -6.365 1.00 0.00 C ATOM 757 C LYS A 48 57.410 7.423 -5.874 1.00 0.00 C ATOM 758 O LYS A 48 57.286 6.267 -5.471 1.00 0.00 O ATOM 759 CB LYS A 48 55.255 8.493 -5.201 1.00 0.00 C ATOM 760 CG LYS A 48 54.115 9.406 -5.680 1.00 0.00 C ATOM 761 CD LYS A 48 53.586 10.243 -4.510 1.00 0.00 C ATOM 762 CE LYS A 48 52.778 9.357 -3.554 1.00 0.00 C ATOM 763 NZ LYS A 48 53.219 9.613 -2.153 1.00 0.00 N ATOM 0 H LYS A 48 54.703 6.953 -7.103 1.00 0.00 H new ATOM 0 HA LYS A 48 56.566 9.162 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 48 54.849 7.556 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 48 55.794 8.966 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 48 54.472 10.061 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 48 53.309 8.805 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 48 54.417 10.704 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 48 52.960 11.053 -4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 48 51.714 9.568 -3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 48 52.920 8.306 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 52.406 9.521 -1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 53.950 8.923 -1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 53.609 10.575 -2.082 1.00 0.00 H new ATOM 777 N GLN A 49 58.574 8.058 -5.915 1.00 0.00 N ATOM 778 CA GLN A 49 59.802 7.415 -5.476 1.00 0.00 C ATOM 779 C GLN A 49 59.902 7.444 -3.956 1.00 0.00 C ATOM 780 O GLN A 49 59.816 8.508 -3.341 1.00 0.00 O ATOM 781 CB GLN A 49 61.012 8.131 -6.089 1.00 0.00 C ATOM 782 CG GLN A 49 60.761 9.644 -6.115 1.00 0.00 C ATOM 783 CD GLN A 49 59.953 10.023 -7.355 1.00 0.00 C ATOM 784 OE1 GLN A 49 60.406 9.809 -8.480 1.00 0.00 O ATOM 785 NE2 GLN A 49 58.780 10.575 -7.216 1.00 0.00 N ATOM 0 H GLN A 49 58.692 9.015 -6.247 1.00 0.00 H new ATOM 0 HA GLN A 49 59.791 6.377 -5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 49 61.908 7.912 -5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 49 61.189 7.765 -7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.224 9.947 -5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 49 61.711 10.178 -6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 49 58.407 10.751 -6.283 1.00 0.00 H new ATOM 0 HE22 GLN A 49 58.236 10.830 -8.040 1.00 0.00 H new ATOM 794 N LEU A 50 60.104 6.276 -3.353 1.00 0.00 N ATOM 795 CA LEU A 50 60.234 6.205 -1.906 1.00 0.00 C ATOM 796 C LEU A 50 61.634 6.702 -1.530 1.00 0.00 C ATOM 797 O LEU A 50 62.631 6.325 -2.146 1.00 0.00 O ATOM 798 CB LEU A 50 59.962 4.770 -1.417 1.00 0.00 C ATOM 799 CG LEU A 50 58.542 4.316 -1.833 1.00 0.00 C ATOM 800 CD1 LEU A 50 58.121 3.099 -1.003 1.00 0.00 C ATOM 801 CD2 LEU A 50 57.526 5.439 -1.616 1.00 0.00 C ATOM 0 H LEU A 50 60.180 5.381 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 50 59.497 6.840 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 50 60.705 4.090 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 50 60.062 4.724 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 50 58.566 4.057 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 50 57.121 2.784 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 50 58.823 2.283 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 50 58.119 3.363 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 50 56.536 5.096 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 50 57.511 5.717 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 50 57.807 6.305 -2.216 1.00 0.00 H new ATOM 813 N GLU A 51 61.666 7.636 -0.582 1.00 0.00 N ATOM 814 CA GLU A 51 62.902 8.318 -0.174 1.00 0.00 C ATOM 815 C GLU A 51 63.741 7.635 0.922 1.00 0.00 C ATOM 816 O GLU A 51 63.545 6.489 1.306 1.00 0.00 O ATOM 817 CB GLU A 51 62.544 9.731 0.288 1.00 0.00 C ATOM 818 CG GLU A 51 61.595 10.366 -0.731 1.00 0.00 C ATOM 819 CD GLU A 51 61.439 11.856 -0.448 1.00 0.00 C ATOM 820 OE1 GLU A 51 62.434 12.488 -0.133 1.00 0.00 O ATOM 821 OE2 GLU A 51 60.325 12.345 -0.554 1.00 0.00 O ATOM 0 H GLU A 51 60.838 7.945 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 51 63.539 8.298 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 51 62.073 9.697 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.447 10.334 0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 51 61.981 10.218 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 51 60.622 9.876 -0.687 1.00 0.00 H new ATOM 828 N ASP A 52 64.704 8.428 1.371 1.00 0.00 N ATOM 829 CA ASP A 52 65.692 8.096 2.402 1.00 0.00 C ATOM 830 C ASP A 52 65.113 7.483 3.668 1.00 0.00 C ATOM 831 O ASP A 52 65.835 7.336 4.655 1.00 0.00 O ATOM 832 CB ASP A 52 66.466 9.351 2.789 1.00 0.00 C ATOM 833 CG ASP A 52 67.277 9.852 1.598 1.00 0.00 C ATOM 834 OD1 ASP A 52 66.711 9.955 0.522 1.00 0.00 O ATOM 835 OD2 ASP A 52 68.452 10.123 1.781 1.00 0.00 O ATOM 0 H ASP A 52 64.828 9.374 1.009 1.00 0.00 H new ATOM 0 HA ASP A 52 66.333 7.338 1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 52 65.775 10.126 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.130 9.135 3.626 1.00 0.00 H new ATOM 840 N GLY A 53 63.824 7.196 3.695 1.00 0.00 N ATOM 841 CA GLY A 53 63.219 6.688 4.922 1.00 0.00 C ATOM 842 C GLY A 53 62.146 7.617 5.461 1.00 0.00 C ATOM 843 O GLY A 53 62.015 7.820 6.668 1.00 0.00 O ATOM 0 H GLY A 53 63.186 7.301 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 53 62.785 5.707 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 53 63.993 6.553 5.678 1.00 0.00 H new ATOM 847 N ARG A 54 61.298 8.070 4.537 1.00 0.00 N ATOM 848 CA ARG A 54 60.133 8.852 4.899 1.00 0.00 C ATOM 849 C ARG A 54 59.146 7.803 5.339 1.00 0.00 C ATOM 850 O ARG A 54 59.320 6.638 4.977 1.00 0.00 O ATOM 851 CB ARG A 54 59.564 9.600 3.678 1.00 0.00 C ATOM 852 CG ARG A 54 60.154 11.020 3.603 1.00 0.00 C ATOM 853 CD ARG A 54 59.200 12.027 4.256 1.00 0.00 C ATOM 854 NE ARG A 54 59.233 11.891 5.710 1.00 0.00 N ATOM 855 CZ ARG A 54 58.340 11.146 6.353 1.00 0.00 C ATOM 856 NH1 ARG A 54 57.126 11.035 5.891 1.00 0.00 N ATOM 857 NH2 ARG A 54 58.677 10.527 7.453 1.00 0.00 N ATOM 0 H ARG A 54 61.403 7.905 3.536 1.00 0.00 H new ATOM 0 HA ARG A 54 60.355 9.607 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 54 59.798 9.052 2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.478 9.653 3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 54 61.121 11.046 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 54 60.327 11.295 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 54 59.482 13.041 3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 54 58.185 11.865 3.892 1.00 0.00 H new ATOM 0 HE ARG A 54 59.955 12.377 6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 54 56.860 11.521 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 54 56.442 10.463 6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 54 59.625 10.616 7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 54 57.992 9.955 7.947 1.00 0.00 H new ATOM 871 N THR A 55 58.127 8.128 6.113 1.00 0.00 N ATOM 872 CA THR A 55 57.246 7.047 6.503 1.00 0.00 C ATOM 873 C THR A 55 56.308 6.716 5.353 1.00 0.00 C ATOM 874 O THR A 55 55.789 7.600 4.674 1.00 0.00 O ATOM 875 CB THR A 55 56.448 7.458 7.740 1.00 0.00 C ATOM 876 OG1 THR A 55 57.159 7.073 8.908 1.00 0.00 O ATOM 877 CG2 THR A 55 55.077 6.786 7.740 1.00 0.00 C ATOM 0 H THR A 55 57.899 9.059 6.462 1.00 0.00 H new ATOM 0 HA THR A 55 57.835 6.162 6.743 1.00 0.00 H new ATOM 0 HB THR A 55 56.310 8.539 7.726 1.00 0.00 H new ATOM 0 HG1 THR A 55 56.650 7.337 9.703 1.00 0.00 H new ATOM 0 HG21 THR A 55 54.523 7.090 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 55 54.526 7.084 6.848 1.00 0.00 H new ATOM 0 HG23 THR A 55 55.203 5.703 7.744 1.00 0.00 H new ATOM 885 N LEU A 56 56.094 5.423 5.169 1.00 0.00 N ATOM 886 CA LEU A 56 55.217 4.913 4.131 1.00 0.00 C ATOM 887 C LEU A 56 53.740 5.045 4.491 1.00 0.00 C ATOM 888 O LEU A 56 52.891 5.162 3.608 1.00 0.00 O ATOM 889 CB LEU A 56 55.607 3.490 3.760 1.00 0.00 C ATOM 890 CG LEU A 56 56.413 3.508 2.439 1.00 0.00 C ATOM 891 CD1 LEU A 56 57.735 4.258 2.648 1.00 0.00 C ATOM 892 CD2 LEU A 56 56.720 2.078 1.968 1.00 0.00 C ATOM 0 H LEU A 56 56.526 4.696 5.739 1.00 0.00 H new ATOM 0 HA LEU A 56 55.351 5.535 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.203 3.045 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.715 2.874 3.647 1.00 0.00 H new ATOM 0 HG LEU A 56 55.813 4.011 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 56 58.299 4.268 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.527 5.282 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 56 58.319 3.757 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 56 57.287 2.115 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 56 57.305 1.562 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.786 1.541 1.802 1.00 0.00 H new ATOM 904 N SER A 57 53.422 5.012 5.779 1.00 0.00 N ATOM 905 CA SER A 57 52.026 5.123 6.170 1.00 0.00 C ATOM 906 C SER A 57 51.477 6.365 5.526 1.00 0.00 C ATOM 907 O SER A 57 50.306 6.433 5.153 1.00 0.00 O ATOM 908 CB SER A 57 51.888 5.225 7.692 1.00 0.00 C ATOM 909 OG SER A 57 50.633 5.812 8.012 1.00 0.00 O ATOM 0 H SER A 57 54.087 4.913 6.546 1.00 0.00 H new ATOM 0 HA SER A 57 51.478 4.237 5.849 1.00 0.00 H new ATOM 0 HB2 SER A 57 51.965 4.236 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 57 52.699 5.826 8.103 1.00 0.00 H new ATOM 0 HG SER A 57 50.541 5.877 8.985 1.00 0.00 H new ATOM 915 N ASP A 58 52.371 7.339 5.339 1.00 0.00 N ATOM 916 CA ASP A 58 52.027 8.582 4.666 1.00 0.00 C ATOM 917 C ASP A 58 51.877 8.313 3.169 1.00 0.00 C ATOM 918 O ASP A 58 51.133 9.001 2.470 1.00 0.00 O ATOM 919 CB ASP A 58 53.124 9.630 4.892 1.00 0.00 C ATOM 920 CG ASP A 58 53.266 9.925 6.380 1.00 0.00 C ATOM 921 OD1 ASP A 58 52.319 9.673 7.107 1.00 0.00 O ATOM 922 OD2 ASP A 58 54.320 10.398 6.772 1.00 0.00 O ATOM 0 H ASP A 58 53.342 7.285 5.648 1.00 0.00 H new ATOM 0 HA ASP A 58 51.090 8.963 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 58 54.072 9.268 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 58 52.880 10.546 4.353 1.00 0.00 H new ATOM 927 N TYR A 59 52.602 7.297 2.690 1.00 0.00 N ATOM 928 CA TYR A 59 52.568 6.921 1.277 1.00 0.00 C ATOM 929 C TYR A 59 51.314 6.107 0.975 1.00 0.00 C ATOM 930 O TYR A 59 51.109 5.664 -0.155 1.00 0.00 O ATOM 931 CB TYR A 59 53.808 6.096 0.924 1.00 0.00 C ATOM 932 CG TYR A 59 54.916 7.014 0.518 1.00 0.00 C ATOM 933 CD1 TYR A 59 55.614 7.731 1.490 1.00 0.00 C ATOM 934 CD2 TYR A 59 55.242 7.153 -0.832 1.00 0.00 C ATOM 935 CE1 TYR A 59 56.648 8.595 1.112 1.00 0.00 C ATOM 936 CE2 TYR A 59 56.275 8.019 -1.214 1.00 0.00 C ATOM 937 CZ TYR A 59 56.980 8.740 -0.241 1.00 0.00 C ATOM 938 OH TYR A 59 58.000 9.592 -0.615 1.00 0.00 O ATOM 0 H TYR A 59 53.219 6.721 3.262 1.00 0.00 H new ATOM 0 HA TYR A 59 52.556 7.831 0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 59 54.114 5.495 1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 59 53.579 5.404 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 59 55.357 7.619 2.533 1.00 0.00 H new ATOM 0 HD2 TYR A 59 54.699 6.594 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 59 57.190 9.150 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 59 56.528 8.131 -2.258 1.00 0.00 H new ATOM 0 HH TYR A 59 58.101 9.574 -1.590 1.00 0.00 H new ATOM 948 N ASN A 60 50.475 5.919 1.986 1.00 0.00 N ATOM 949 CA ASN A 60 49.242 5.165 1.799 1.00 0.00 C ATOM 950 C ASN A 60 49.534 3.801 1.176 1.00 0.00 C ATOM 951 O ASN A 60 48.861 3.390 0.231 1.00 0.00 O ATOM 952 CB ASN A 60 48.290 5.948 0.892 1.00 0.00 C ATOM 953 CG ASN A 60 47.644 7.093 1.665 1.00 0.00 C ATOM 954 OD1 ASN A 60 48.101 8.234 1.587 1.00 0.00 O ATOM 955 ND2 ASN A 60 46.600 6.855 2.409 1.00 0.00 N ATOM 0 H ASN A 60 50.622 6.273 2.931 1.00 0.00 H new ATOM 0 HA ASN A 60 48.778 5.013 2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 60 48.835 6.341 0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 60 47.519 5.283 0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 60 46.160 7.615 2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 60 46.223 5.909 2.472 1.00 0.00 H new ATOM 962 N ILE A 61 50.542 3.103 1.698 1.00 0.00 N ATOM 963 CA ILE A 61 50.899 1.794 1.156 1.00 0.00 C ATOM 964 C ILE A 61 49.757 0.803 1.347 1.00 0.00 C ATOM 965 O ILE A 61 49.051 0.812 2.354 1.00 0.00 O ATOM 966 CB ILE A 61 52.178 1.263 1.793 1.00 0.00 C ATOM 967 CG1 ILE A 61 53.336 2.224 1.490 1.00 0.00 C ATOM 968 CG2 ILE A 61 52.503 -0.129 1.231 1.00 0.00 C ATOM 969 CD1 ILE A 61 53.440 2.496 -0.017 1.00 0.00 C ATOM 0 H ILE A 61 51.116 3.415 2.481 1.00 0.00 H new ATOM 0 HA ILE A 61 51.080 1.914 0.088 1.00 0.00 H new ATOM 0 HB ILE A 61 52.038 1.188 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 61 53.185 3.162 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 61 54.272 1.798 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 61 53.418 -0.502 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.682 -0.811 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 61 52.640 -0.063 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 61 54.268 3.179 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 61 53.615 1.558 -0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 61 52.511 2.944 -0.371 1.00 0.00 H new ATOM 981 N GLN A 62 49.555 0.012 0.302 1.00 0.00 N ATOM 982 CA GLN A 62 48.461 -0.947 0.224 1.00 0.00 C ATOM 983 C GLN A 62 48.851 -2.382 0.616 1.00 0.00 C ATOM 984 O GLN A 62 49.990 -2.681 0.969 1.00 0.00 O ATOM 985 CB GLN A 62 47.952 -0.938 -1.227 1.00 0.00 C ATOM 986 CG GLN A 62 46.698 -1.806 -1.376 1.00 0.00 C ATOM 987 CD GLN A 62 45.935 -1.395 -2.630 1.00 0.00 C ATOM 988 OE1 GLN A 62 45.189 -0.417 -2.612 1.00 0.00 O ATOM 989 NE2 GLN A 62 46.082 -2.090 -3.726 1.00 0.00 N ATOM 0 H GLN A 62 50.153 0.018 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 62 47.700 -0.643 0.942 1.00 0.00 H new ATOM 0 HB2 GLN A 62 47.729 0.085 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 62 48.734 -1.305 -1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 62 46.977 -2.858 -1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 62 46.061 -1.695 -0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 62 46.702 -2.900 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 62 45.577 -1.822 -4.571 1.00 0.00 H new ATOM 998 N LYS A 63 47.831 -3.227 0.519 1.00 0.00 N ATOM 999 CA LYS A 63 47.846 -4.667 0.796 1.00 0.00 C ATOM 1000 C LYS A 63 49.064 -5.420 0.247 1.00 0.00 C ATOM 1001 O LYS A 63 48.928 -6.577 -0.146 1.00 0.00 O ATOM 1002 CB LYS A 63 46.575 -5.307 0.247 1.00 0.00 C ATOM 1003 CG LYS A 63 45.361 -4.699 0.957 1.00 0.00 C ATOM 1004 CD LYS A 63 44.064 -5.353 0.444 1.00 0.00 C ATOM 1005 CE LYS A 63 43.428 -6.197 1.555 1.00 0.00 C ATOM 1006 NZ LYS A 63 44.320 -7.348 1.875 1.00 0.00 N ATOM 0 H LYS A 63 46.908 -2.907 0.225 1.00 0.00 H new ATOM 0 HA LYS A 63 47.905 -4.752 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 63 46.504 -5.141 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 63 46.600 -6.386 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 63 45.449 -4.844 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 63 45.329 -3.624 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 63 43.365 -4.584 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 63 44.280 -5.979 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 63 43.270 -5.587 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 63 42.450 -6.558 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 43.832 -7.994 2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 44.559 -7.856 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 45.192 -6.998 2.321 1.00 0.00 H new ATOM 1020 N GLU A 64 50.221 -4.769 0.158 1.00 0.00 N ATOM 1021 CA GLU A 64 51.420 -5.392 -0.421 1.00 0.00 C ATOM 1022 C GLU A 64 51.519 -5.128 -1.911 1.00 0.00 C ATOM 1023 O GLU A 64 51.704 -6.031 -2.725 1.00 0.00 O ATOM 1024 CB GLU A 64 51.429 -6.918 -0.216 1.00 0.00 C ATOM 1025 CG GLU A 64 51.054 -7.290 1.229 1.00 0.00 C ATOM 1026 CD GLU A 64 50.057 -8.453 1.251 1.00 0.00 C ATOM 1027 OE1 GLU A 64 49.537 -8.791 0.199 1.00 0.00 O ATOM 1028 OE2 GLU A 64 49.831 -8.990 2.322 1.00 0.00 O ATOM 0 H GLU A 64 50.359 -3.810 0.478 1.00 0.00 H new ATOM 0 HA GLU A 64 52.268 -4.944 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 64 50.727 -7.384 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 64 52.418 -7.313 -0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 64 51.952 -7.564 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 64 50.621 -6.425 1.731 1.00 0.00 H new ATOM 1035 N SER A 65 51.427 -3.848 -2.232 1.00 0.00 N ATOM 1036 CA SER A 65 51.547 -3.376 -3.597 1.00 0.00 C ATOM 1037 C SER A 65 52.940 -3.689 -4.143 1.00 0.00 C ATOM 1038 O SER A 65 53.906 -3.763 -3.384 1.00 0.00 O ATOM 1039 CB SER A 65 51.337 -1.870 -3.613 1.00 0.00 C ATOM 1040 OG SER A 65 50.035 -1.585 -4.107 1.00 0.00 O ATOM 0 H SER A 65 51.267 -3.107 -1.550 1.00 0.00 H new ATOM 0 HA SER A 65 50.801 -3.873 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 65 51.455 -1.464 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 65 52.090 -1.392 -4.240 1.00 0.00 H new ATOM 0 HG SER A 65 49.894 -0.615 -4.118 1.00 0.00 H new ATOM 1046 N THR A 66 53.044 -3.859 -5.459 1.00 0.00 N ATOM 1047 CA THR A 66 54.336 -4.149 -6.081 1.00 0.00 C ATOM 1048 C THR A 66 55.076 -2.851 -6.403 1.00 0.00 C ATOM 1049 O THR A 66 54.557 -1.992 -7.114 1.00 0.00 O ATOM 1050 CB THR A 66 54.133 -4.963 -7.370 1.00 0.00 C ATOM 1051 OG1 THR A 66 54.325 -4.121 -8.500 1.00 0.00 O ATOM 1052 CG2 THR A 66 52.717 -5.544 -7.405 1.00 0.00 C ATOM 0 H THR A 66 52.260 -3.802 -6.110 1.00 0.00 H new ATOM 0 HA THR A 66 54.933 -4.732 -5.380 1.00 0.00 H new ATOM 0 HB THR A 66 54.856 -5.778 -7.393 1.00 0.00 H new ATOM 0 HG1 THR A 66 54.111 -3.196 -8.259 1.00 0.00 H new ATOM 0 HG21 THR A 66 52.582 -6.119 -8.321 1.00 0.00 H new ATOM 0 HG22 THR A 66 52.569 -6.195 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 66 51.990 -4.732 -7.376 1.00 0.00 H new ATOM 1060 N LEU A 67 56.295 -2.713 -5.876 1.00 0.00 N ATOM 1061 CA LEU A 67 57.093 -1.512 -6.119 1.00 0.00 C ATOM 1062 C LEU A 67 58.143 -1.778 -7.193 1.00 0.00 C ATOM 1063 O LEU A 67 58.693 -2.876 -7.279 1.00 0.00 O ATOM 1064 CB LEU A 67 57.795 -1.060 -4.829 1.00 0.00 C ATOM 1065 CG LEU A 67 56.754 -0.581 -3.804 1.00 0.00 C ATOM 1066 CD1 LEU A 67 56.333 -1.748 -2.909 1.00 0.00 C ATOM 1067 CD2 LEU A 67 57.358 0.526 -2.934 1.00 0.00 C ATOM 0 H LEU A 67 56.746 -3.411 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 67 56.420 -0.724 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 67 58.375 -1.884 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 67 58.497 -0.256 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 67 55.884 -0.196 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 67 55.595 -1.403 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 67 55.898 -2.538 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 67 57.205 -2.136 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 67 56.618 0.863 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 67 58.231 0.140 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 67 57.655 1.363 -3.565 1.00 0.00 H new ATOM 1079 N HIS A 68 58.420 -0.762 -8.005 1.00 0.00 N ATOM 1080 CA HIS A 68 59.412 -0.886 -9.069 1.00 0.00 C ATOM 1081 C HIS A 68 60.741 -0.291 -8.613 1.00 0.00 C ATOM 1082 O HIS A 68 60.769 0.668 -7.842 1.00 0.00 O ATOM 1083 CB HIS A 68 58.925 -0.160 -10.328 1.00 0.00 C ATOM 1084 CG HIS A 68 57.907 -1.010 -11.039 1.00 0.00 C ATOM 1085 ND1 HIS A 68 58.268 -2.082 -11.840 1.00 0.00 N ATOM 1086 CD2 HIS A 68 56.535 -0.955 -11.085 1.00 0.00 C ATOM 1087 CE1 HIS A 68 57.137 -2.623 -12.330 1.00 0.00 C ATOM 1088 NE2 HIS A 68 56.052 -1.975 -11.900 1.00 0.00 N ATOM 0 H HIS A 68 57.974 0.153 -7.947 1.00 0.00 H new ATOM 0 HA HIS A 68 59.553 -1.942 -9.299 1.00 0.00 H new ATOM 0 HB2 HIS A 68 58.487 0.801 -10.059 1.00 0.00 H new ATOM 0 HB3 HIS A 68 59.767 0.047 -10.989 1.00 0.00 H new ATOM 0 HD2 HIS A 68 55.924 -0.230 -10.567 1.00 0.00 H new ATOM 0 HE1 HIS A 68 57.111 -3.477 -12.990 1.00 0.00 H new ATOM 0 HE2 HIS A 68 55.078 -2.183 -12.121 1.00 0.00 H new ATOM 1096 N LEU A 69 61.838 -0.869 -9.091 1.00 0.00 N ATOM 1097 CA LEU A 69 63.168 -0.389 -8.721 1.00 0.00 C ATOM 1098 C LEU A 69 63.868 0.223 -9.933 1.00 0.00 C ATOM 1099 O LEU A 69 63.819 -0.324 -11.033 1.00 0.00 O ATOM 1100 CB LEU A 69 64.012 -1.546 -8.160 1.00 0.00 C ATOM 1101 CG LEU A 69 63.101 -2.719 -7.785 1.00 0.00 C ATOM 1102 CD1 LEU A 69 62.645 -3.455 -9.055 1.00 0.00 C ATOM 1103 CD2 LEU A 69 63.871 -3.686 -6.880 1.00 0.00 C ATOM 0 H LEU A 69 61.835 -1.664 -9.730 1.00 0.00 H new ATOM 0 HA LEU A 69 63.059 0.377 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 69 64.745 -1.866 -8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 69 64.568 -1.211 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 69 62.224 -2.342 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 69 61.998 -4.288 -8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 69 62.097 -2.766 -9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 69 63.517 -3.834 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 69 63.227 -4.523 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.748 -4.059 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.187 -3.165 -5.976 1.00 0.00 H new