USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 470 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 1 MET CE :methyl -170:sc= -8.96! (180deg=-9.21!) USER MOD Single : A 1 MET N :NH3+ 150:sc= -5.57! (180deg=-7.87!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -116:sc= -0.29 (180deg=-1.26!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -2.2! C(o=-2.2!,f=-9.3!) USER MOD Single : A 25 TYR OH : rot 39:sc= -1.03! USER MOD Single : A 27 ASN : amide:sc= -1.06! C(o=-1.1!,f=-1.7!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.676 F(o=-1.4,f=-0.68) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -2.31! USER MOD Single : A 43 ASN : amide:sc= -0.494 K(o=-0.49,f=-3.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.0065) USER MOD Single : A 51 LYS NZ :NH3+ -113:sc=-0.00547 (180deg=-0.154) USER MOD Single : A 52 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.61 F(o=-2.7!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.479 7.630 -3.747 1.00 0.00 N ATOM 2 CA MET A 1 -8.295 7.174 -2.970 1.00 0.00 C ATOM 3 C MET A 1 -7.368 6.338 -3.858 1.00 0.00 C ATOM 4 O MET A 1 -7.582 5.157 -4.042 1.00 0.00 O ATOM 5 CB MET A 1 -8.867 6.315 -1.833 1.00 0.00 C ATOM 6 CG MET A 1 -7.820 6.192 -0.731 1.00 0.00 C ATOM 7 SD MET A 1 -8.526 6.746 0.838 1.00 0.00 S ATOM 8 CE MET A 1 -7.524 5.682 1.903 1.00 0.00 C ATOM 0 H1 MET A 1 -10.295 7.728 -3.110 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.272 8.549 -4.188 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.699 6.932 -4.486 1.00 0.00 H new ATOM 0 HA MET A 1 -7.706 8.009 -2.592 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.777 6.768 -1.439 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.139 5.328 -2.207 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.486 5.158 -0.646 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.944 6.791 -0.979 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.909 5.721 2.922 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.568 4.656 1.537 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.490 6.027 1.892 1.00 0.00 H new ATOM 20 N LYS A 2 -6.333 6.927 -4.405 1.00 0.00 N ATOM 21 CA LYS A 2 -5.418 6.122 -5.259 1.00 0.00 C ATOM 22 C LYS A 2 -4.971 4.908 -4.447 1.00 0.00 C ATOM 23 O LYS A 2 -4.948 4.967 -3.233 1.00 0.00 O ATOM 24 CB LYS A 2 -4.228 7.027 -5.580 1.00 0.00 C ATOM 25 CG LYS A 2 -4.370 7.602 -6.988 1.00 0.00 C ATOM 26 CD LYS A 2 -2.984 7.708 -7.634 1.00 0.00 C ATOM 27 CE LYS A 2 -2.975 8.847 -8.653 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.506 8.223 -9.922 1.00 0.00 N ATOM 0 H LYS A 2 -6.088 7.911 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.887 5.775 -6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.170 7.837 -4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.300 6.461 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.017 6.964 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.841 8.584 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.228 7.886 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.727 6.768 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.968 9.281 -8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.310 9.652 -8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.473 8.943 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.555 7.825 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.162 7.465 -10.199 1.00 0.00 H new ATOM 42 N VAL A 3 -4.684 3.787 -5.056 1.00 0.00 N ATOM 43 CA VAL A 3 -4.344 2.622 -4.225 1.00 0.00 C ATOM 44 C VAL A 3 -3.144 1.809 -4.703 1.00 0.00 C ATOM 45 O VAL A 3 -3.053 1.400 -5.841 1.00 0.00 O ATOM 46 CB VAL A 3 -5.627 1.829 -4.322 1.00 0.00 C ATOM 47 CG1 VAL A 3 -5.368 0.355 -4.060 1.00 0.00 C ATOM 48 CG2 VAL A 3 -6.585 2.408 -3.309 1.00 0.00 C ATOM 0 H VAL A 3 -4.673 3.640 -6.065 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.031 2.905 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.052 1.897 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.304 -0.198 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.661 -0.027 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.952 0.231 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.528 1.862 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.155 2.322 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.765 3.459 -3.537 1.00 0.00 H new ATOM 58 N ILE A 4 -2.259 1.519 -3.783 1.00 0.00 N ATOM 59 CA ILE A 4 -1.088 0.685 -4.070 1.00 0.00 C ATOM 60 C ILE A 4 -1.388 -0.739 -3.586 1.00 0.00 C ATOM 61 O ILE A 4 -1.177 -1.075 -2.439 1.00 0.00 O ATOM 62 CB ILE A 4 0.038 1.323 -3.243 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.807 2.306 -4.143 1.00 0.00 C ATOM 64 CG2 ILE A 4 0.950 0.230 -2.685 1.00 0.00 C ATOM 65 CD1 ILE A 4 2.308 1.974 -4.212 1.00 0.00 C ATOM 0 H ILE A 4 -2.316 1.844 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.825 0.629 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.368 1.873 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.385 2.284 -5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.677 3.320 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.748 0.686 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.370 -0.439 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.384 -0.337 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.811 2.694 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.738 2.023 -3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.440 0.970 -4.615 1.00 0.00 H new ATOM 77 N PHE A 5 -1.862 -1.594 -4.435 1.00 0.00 N ATOM 78 CA PHE A 5 -2.106 -2.977 -3.956 1.00 0.00 C ATOM 79 C PHE A 5 -0.757 -3.595 -3.667 1.00 0.00 C ATOM 80 O PHE A 5 0.099 -3.614 -4.513 1.00 0.00 O ATOM 81 CB PHE A 5 -2.735 -3.746 -5.104 1.00 0.00 C ATOM 82 CG PHE A 5 -4.245 -3.672 -5.080 1.00 0.00 C ATOM 83 CD1 PHE A 5 -4.919 -2.598 -5.679 1.00 0.00 C ATOM 84 CD2 PHE A 5 -4.976 -4.719 -4.502 1.00 0.00 C ATOM 85 CE1 PHE A 5 -6.318 -2.575 -5.690 1.00 0.00 C ATOM 86 CE2 PHE A 5 -6.371 -4.696 -4.526 1.00 0.00 C ATOM 87 CZ PHE A 5 -7.041 -3.627 -5.119 1.00 0.00 C ATOM 0 H PHE A 5 -2.087 -1.408 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.745 -2.994 -3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.368 -3.348 -6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.423 -4.789 -5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.360 -1.791 -6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.459 -5.545 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.840 -1.744 -6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.932 -5.507 -4.085 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.121 -3.611 -5.137 1.00 0.00 H new ATOM 97 N LEU A 6 -0.551 -4.123 -2.515 1.00 0.00 N ATOM 98 CA LEU A 6 0.764 -4.747 -2.262 1.00 0.00 C ATOM 99 C LEU A 6 0.746 -6.102 -2.948 1.00 0.00 C ATOM 100 O LEU A 6 1.753 -6.586 -3.423 1.00 0.00 O ATOM 101 CB LEU A 6 0.897 -4.877 -0.739 1.00 0.00 C ATOM 102 CG LEU A 6 -0.329 -5.583 -0.155 1.00 0.00 C ATOM 103 CD1 LEU A 6 0.127 -6.727 0.752 1.00 0.00 C ATOM 104 CD2 LEU A 6 -1.148 -4.582 0.664 1.00 0.00 C ATOM 0 H LEU A 6 -1.219 -4.154 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 6 1.608 -4.173 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.799 -5.437 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.003 -3.889 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.941 -5.981 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.745 -7.231 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.715 -7.439 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.737 -6.328 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.022 -5.082 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.535 -4.187 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.471 -3.763 0.021 1.00 0.00 H new ATOM 116 N LYS A 7 -0.424 -6.678 -3.061 1.00 0.00 N ATOM 117 CA LYS A 7 -0.564 -7.979 -3.764 1.00 0.00 C ATOM 118 C LYS A 7 -1.426 -7.804 -5.009 1.00 0.00 C ATOM 119 O LYS A 7 -1.682 -6.702 -5.453 1.00 0.00 O ATOM 120 CB LYS A 7 -1.250 -8.921 -2.776 1.00 0.00 C ATOM 121 CG LYS A 7 -0.185 -9.658 -1.972 1.00 0.00 C ATOM 122 CD LYS A 7 -0.850 -10.500 -0.882 1.00 0.00 C ATOM 123 CE LYS A 7 -1.345 -11.818 -1.483 1.00 0.00 C ATOM 124 NZ LYS A 7 -2.452 -12.254 -0.588 1.00 0.00 N ATOM 0 H LYS A 7 -1.294 -6.295 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 7 0.402 -8.372 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.902 -8.357 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.879 -9.633 -3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.403 -10.297 -2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.504 -8.943 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.141 -10.699 -0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.684 -9.952 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.695 -11.679 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.548 -12.561 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.845 -13.153 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.087 -12.384 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.199 -11.530 -0.581 1.00 0.00 H new ATOM 138 N ASP A 8 -1.870 -8.883 -5.577 1.00 0.00 N ATOM 139 CA ASP A 8 -2.713 -8.784 -6.801 1.00 0.00 C ATOM 140 C ASP A 8 -4.079 -9.431 -6.576 1.00 0.00 C ATOM 141 O ASP A 8 -4.204 -10.445 -5.916 1.00 0.00 O ATOM 142 CB ASP A 8 -1.924 -9.539 -7.873 1.00 0.00 C ATOM 143 CG ASP A 8 -2.086 -11.050 -7.678 1.00 0.00 C ATOM 144 OD1 ASP A 8 -1.860 -11.515 -6.572 1.00 0.00 O ATOM 145 OD2 ASP A 8 -2.428 -11.716 -8.640 1.00 0.00 O ATOM 0 H ASP A 8 -1.688 -9.832 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.910 -7.750 -7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.276 -9.252 -8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.870 -9.268 -7.818 1.00 0.00 H new ATOM 150 N VAL A 9 -5.099 -8.856 -7.144 1.00 0.00 N ATOM 151 CA VAL A 9 -6.463 -9.431 -7.002 1.00 0.00 C ATOM 152 C VAL A 9 -6.757 -10.263 -8.245 1.00 0.00 C ATOM 153 O VAL A 9 -6.267 -9.974 -9.318 1.00 0.00 O ATOM 154 CB VAL A 9 -7.422 -8.238 -6.917 1.00 0.00 C ATOM 155 CG1 VAL A 9 -8.785 -8.720 -6.420 1.00 0.00 C ATOM 156 CG2 VAL A 9 -6.873 -7.185 -5.947 1.00 0.00 C ATOM 0 H VAL A 9 -5.046 -8.006 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.565 -10.067 -6.123 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.523 -7.792 -7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.470 -7.874 -6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.184 -9.460 -7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.674 -9.170 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.563 -6.343 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.763 -7.625 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.902 -6.837 -6.299 1.00 0.00 H new ATOM 166 N LYS A 10 -7.534 -11.295 -8.125 1.00 0.00 N ATOM 167 CA LYS A 10 -7.819 -12.128 -9.322 1.00 0.00 C ATOM 168 C LYS A 10 -8.789 -11.412 -10.255 1.00 0.00 C ATOM 169 O LYS A 10 -9.889 -11.868 -10.497 1.00 0.00 O ATOM 170 CB LYS A 10 -8.435 -13.420 -8.784 1.00 0.00 C ATOM 171 CG LYS A 10 -7.460 -14.085 -7.808 1.00 0.00 C ATOM 172 CD LYS A 10 -8.097 -15.351 -7.230 1.00 0.00 C ATOM 173 CE LYS A 10 -8.398 -15.138 -5.746 1.00 0.00 C ATOM 174 NZ LYS A 10 -9.842 -15.464 -5.596 1.00 0.00 N ATOM 0 H LYS A 10 -7.982 -11.598 -7.260 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.918 -12.325 -9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.378 -13.204 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.661 -14.098 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.530 -14.334 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.206 -13.394 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.015 -15.587 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.425 -16.200 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.781 -15.784 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.192 -14.111 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.124 -15.341 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.405 -14.829 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.007 -16.450 -5.883 1.00 0.00 H new ATOM 188 N GLY A 11 -8.388 -10.294 -10.788 1.00 0.00 N ATOM 189 CA GLY A 11 -9.285 -9.560 -11.713 1.00 0.00 C ATOM 190 C GLY A 11 -8.601 -8.283 -12.191 1.00 0.00 C ATOM 191 O GLY A 11 -8.626 -7.956 -13.361 1.00 0.00 O ATOM 0 H GLY A 11 -7.480 -9.859 -10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.537 -10.190 -12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.221 -9.316 -11.210 1.00 0.00 H new ATOM 195 N LYS A 12 -8.006 -7.540 -11.295 1.00 0.00 N ATOM 196 CA LYS A 12 -7.349 -6.268 -11.726 1.00 0.00 C ATOM 197 C LYS A 12 -6.165 -5.871 -10.829 1.00 0.00 C ATOM 198 O LYS A 12 -5.284 -5.150 -11.251 1.00 0.00 O ATOM 199 CB LYS A 12 -8.452 -5.216 -11.626 1.00 0.00 C ATOM 200 CG LYS A 12 -8.699 -4.593 -13.000 1.00 0.00 C ATOM 201 CD LYS A 12 -9.905 -3.655 -12.922 1.00 0.00 C ATOM 202 CE LYS A 12 -10.784 -3.834 -14.162 1.00 0.00 C ATOM 203 NZ LYS A 12 -11.266 -2.463 -14.484 1.00 0.00 N ATOM 0 H LYS A 12 -7.946 -7.753 -10.299 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.931 -6.371 -12.727 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.369 -5.672 -11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.167 -4.443 -10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.817 -4.043 -13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.879 -5.374 -13.739 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.483 -3.865 -12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.568 -2.621 -12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.218 -4.260 -14.991 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.616 -4.510 -13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.877 -2.498 -15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.806 -2.087 -13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.452 -1.844 -14.674 1.00 0.00 H new ATOM 217 N GLY A 13 -6.143 -6.293 -9.595 1.00 0.00 N ATOM 218 CA GLY A 13 -5.027 -5.885 -8.698 1.00 0.00 C ATOM 219 C GLY A 13 -3.700 -6.427 -9.226 1.00 0.00 C ATOM 220 O GLY A 13 -3.650 -7.348 -10.017 1.00 0.00 O ATOM 0 H GLY A 13 -6.845 -6.899 -9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.983 -4.798 -8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.206 -6.259 -7.690 1.00 0.00 H new ATOM 224 N LYS A 14 -2.626 -5.846 -8.779 1.00 0.00 N ATOM 225 CA LYS A 14 -1.280 -6.274 -9.211 1.00 0.00 C ATOM 226 C LYS A 14 -0.315 -5.968 -8.075 1.00 0.00 C ATOM 227 O LYS A 14 -0.684 -5.360 -7.087 1.00 0.00 O ATOM 228 CB LYS A 14 -0.963 -5.434 -10.450 1.00 0.00 C ATOM 229 CG LYS A 14 -1.824 -5.913 -11.621 1.00 0.00 C ATOM 230 CD LYS A 14 -1.032 -5.791 -12.926 1.00 0.00 C ATOM 231 CE LYS A 14 -0.131 -7.018 -13.093 1.00 0.00 C ATOM 232 NZ LYS A 14 -0.783 -7.841 -14.150 1.00 0.00 N ATOM 0 H LYS A 14 -2.630 -5.072 -8.115 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.209 -7.336 -9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.157 -4.381 -10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.094 -5.521 -10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.127 -6.948 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.736 -5.320 -11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.715 -5.710 -13.772 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.429 -4.883 -12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.878 -6.728 -13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.045 -7.573 -12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.220 -8.699 -14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.739 -8.109 -13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.845 -7.290 -15.030 1.00 0.00 H new ATOM 246 N LYS A 15 0.901 -6.382 -8.183 1.00 0.00 N ATOM 247 CA LYS A 15 1.851 -6.117 -7.077 1.00 0.00 C ATOM 248 C LYS A 15 2.104 -4.618 -6.944 1.00 0.00 C ATOM 249 O LYS A 15 2.309 -3.919 -7.916 1.00 0.00 O ATOM 250 CB LYS A 15 3.099 -6.897 -7.457 1.00 0.00 C ATOM 251 CG LYS A 15 3.039 -8.303 -6.826 1.00 0.00 C ATOM 252 CD LYS A 15 1.578 -8.785 -6.640 1.00 0.00 C ATOM 253 CE LYS A 15 1.476 -10.268 -7.008 1.00 0.00 C ATOM 254 NZ LYS A 15 1.364 -10.294 -8.494 1.00 0.00 N ATOM 0 H LYS A 15 1.282 -6.890 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 15 1.480 -6.429 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.175 -6.976 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.989 -6.370 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.578 -9.009 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.544 -8.290 -5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.263 -8.634 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.908 -8.197 -7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.353 -10.819 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.608 -10.731 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.439 -10.685 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.454 -9.327 -8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.121 -10.888 -8.889 1.00 0.00 H new ATOM 268 N GLY A 16 2.046 -4.126 -5.736 1.00 0.00 N ATOM 269 CA GLY A 16 2.232 -2.657 -5.498 1.00 0.00 C ATOM 270 C GLY A 16 1.557 -1.857 -6.619 1.00 0.00 C ATOM 271 O GLY A 16 1.960 -0.752 -6.925 1.00 0.00 O ATOM 0 H GLY A 16 1.877 -4.679 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.806 -2.379 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.295 -2.418 -5.458 1.00 0.00 H new ATOM 275 N GLU A 17 0.528 -2.390 -7.238 1.00 0.00 N ATOM 276 CA GLU A 17 -0.145 -1.617 -8.324 1.00 0.00 C ATOM 277 C GLU A 17 -0.690 -0.314 -7.749 1.00 0.00 C ATOM 278 O GLU A 17 -1.424 -0.313 -6.784 1.00 0.00 O ATOM 279 CB GLU A 17 -1.274 -2.521 -8.856 1.00 0.00 C ATOM 280 CG GLU A 17 -2.655 -2.019 -8.393 1.00 0.00 C ATOM 281 CD GLU A 17 -3.758 -2.851 -9.052 1.00 0.00 C ATOM 282 OE1 GLU A 17 -3.426 -3.787 -9.761 1.00 0.00 O ATOM 283 OE2 GLU A 17 -4.917 -2.538 -8.835 1.00 0.00 O ATOM 0 H GLU A 17 0.133 -3.310 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 17 0.536 -1.351 -9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.240 -2.547 -9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.120 -3.542 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.733 -2.090 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.776 -0.967 -8.653 1.00 0.00 H new ATOM 290 N ILE A 18 -0.333 0.791 -8.326 1.00 0.00 N ATOM 291 CA ILE A 18 -0.825 2.090 -7.790 1.00 0.00 C ATOM 292 C ILE A 18 -1.721 2.795 -8.797 1.00 0.00 C ATOM 293 O ILE A 18 -1.317 3.164 -9.883 1.00 0.00 O ATOM 294 CB ILE A 18 0.414 2.944 -7.566 1.00 0.00 C ATOM 295 CG1 ILE A 18 1.586 2.082 -7.091 1.00 0.00 C ATOM 296 CG2 ILE A 18 0.093 4.007 -6.524 1.00 0.00 C ATOM 297 CD1 ILE A 18 2.445 1.688 -8.290 1.00 0.00 C ATOM 0 H ILE A 18 0.275 0.856 -9.142 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.403 1.931 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 18 0.701 3.417 -8.505 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.185 2.632 -6.365 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.215 1.190 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.973 4.627 -6.354 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.726 4.631 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.198 3.525 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.280 1.074 -7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.842 1.122 -9.000 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.827 2.586 -8.775 1.00 0.00 H new ATOM 309 N LYS A 19 -2.921 3.011 -8.402 1.00 0.00 N ATOM 310 CA LYS A 19 -3.905 3.731 -9.243 1.00 0.00 C ATOM 311 C LYS A 19 -4.993 4.174 -8.283 1.00 0.00 C ATOM 312 O LYS A 19 -4.709 4.807 -7.300 1.00 0.00 O ATOM 313 CB LYS A 19 -4.414 2.707 -10.263 1.00 0.00 C ATOM 314 CG LYS A 19 -5.168 3.434 -11.382 1.00 0.00 C ATOM 315 CD LYS A 19 -5.412 2.470 -12.547 1.00 0.00 C ATOM 316 CE LYS A 19 -5.111 3.181 -13.868 1.00 0.00 C ATOM 317 NZ LYS A 19 -5.214 2.118 -14.907 1.00 0.00 N ATOM 0 H LYS A 19 -3.283 2.710 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.518 4.597 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.578 2.145 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.071 1.987 -9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.118 3.815 -11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.592 4.294 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.778 1.589 -12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.445 2.123 -12.536 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.822 3.986 -14.054 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.117 3.629 -13.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.020 2.528 -15.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.521 1.369 -14.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.173 1.715 -14.897 1.00 0.00 H new ATOM 331 N ASN A 20 -6.207 3.777 -8.509 1.00 0.00 N ATOM 332 CA ASN A 20 -7.292 4.089 -7.548 1.00 0.00 C ATOM 333 C ASN A 20 -8.332 3.008 -7.659 1.00 0.00 C ATOM 334 O ASN A 20 -8.930 2.792 -8.695 1.00 0.00 O ATOM 335 CB ASN A 20 -7.884 5.457 -7.902 1.00 0.00 C ATOM 336 CG ASN A 20 -8.583 5.380 -9.262 1.00 0.00 C ATOM 337 OD1 ASN A 20 -8.219 4.580 -10.102 1.00 0.00 O ATOM 338 ND2 ASN A 20 -9.578 6.187 -9.518 1.00 0.00 N ATOM 0 H ASN A 20 -6.498 3.243 -9.328 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.920 4.128 -6.524 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.593 5.767 -7.135 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.096 6.209 -7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.049 6.146 -10.422 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.884 6.859 -8.814 1.00 0.00 H new ATOM 345 N VAL A 21 -8.574 2.350 -6.588 1.00 0.00 N ATOM 346 CA VAL A 21 -9.596 1.302 -6.590 1.00 0.00 C ATOM 347 C VAL A 21 -10.872 2.046 -6.293 1.00 0.00 C ATOM 348 O VAL A 21 -10.998 3.205 -6.640 1.00 0.00 O ATOM 349 CB VAL A 21 -9.180 0.411 -5.413 1.00 0.00 C ATOM 350 CG1 VAL A 21 -9.590 1.057 -4.092 1.00 0.00 C ATOM 351 CG2 VAL A 21 -9.797 -0.966 -5.528 1.00 0.00 C ATOM 0 H VAL A 21 -8.101 2.494 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.711 0.711 -7.498 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.096 0.303 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.289 0.415 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.102 2.027 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.672 1.191 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.485 -1.576 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.883 -0.879 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.467 -1.436 -6.454 1.00 0.00 H new ATOM 361 N ALA A 22 -11.771 1.483 -5.588 1.00 0.00 N ATOM 362 CA ALA A 22 -12.934 2.319 -5.235 1.00 0.00 C ATOM 363 C ALA A 22 -12.395 3.250 -4.166 1.00 0.00 C ATOM 364 O ALA A 22 -12.021 2.808 -3.099 1.00 0.00 O ATOM 365 CB ALA A 22 -14.009 1.404 -4.689 1.00 0.00 C ATOM 0 H ALA A 22 -11.768 0.522 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.369 2.878 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.885 1.993 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.285 0.673 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.633 0.886 -3.807 1.00 0.00 H new ATOM 371 N ASP A 23 -12.275 4.506 -4.476 1.00 0.00 N ATOM 372 CA ASP A 23 -11.691 5.478 -3.530 1.00 0.00 C ATOM 373 C ASP A 23 -11.963 5.075 -2.072 1.00 0.00 C ATOM 374 O ASP A 23 -11.153 5.300 -1.197 1.00 0.00 O ATOM 375 CB ASP A 23 -12.408 6.771 -3.885 1.00 0.00 C ATOM 376 CG ASP A 23 -11.943 7.257 -5.259 1.00 0.00 C ATOM 377 OD1 ASP A 23 -12.226 6.578 -6.233 1.00 0.00 O ATOM 378 OD2 ASP A 23 -11.313 8.299 -5.314 1.00 0.00 O ATOM 0 H ASP A 23 -12.566 4.905 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.606 5.551 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.486 6.611 -3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.203 7.531 -3.131 1.00 0.00 H new ATOM 383 N GLY A 24 -13.084 4.462 -1.805 1.00 0.00 N ATOM 384 CA GLY A 24 -13.374 4.035 -0.404 1.00 0.00 C ATOM 385 C GLY A 24 -12.984 2.562 -0.243 1.00 0.00 C ATOM 386 O GLY A 24 -12.447 2.154 0.766 1.00 0.00 O ATOM 0 H GLY A 24 -13.807 4.239 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.817 4.652 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.432 4.171 -0.180 1.00 0.00 H new ATOM 390 N TYR A 25 -13.205 1.778 -1.263 1.00 0.00 N ATOM 391 CA TYR A 25 -12.799 0.339 -1.224 1.00 0.00 C ATOM 392 C TYR A 25 -11.378 0.338 -0.742 1.00 0.00 C ATOM 393 O TYR A 25 -11.030 -0.273 0.249 1.00 0.00 O ATOM 394 CB TYR A 25 -12.877 -0.056 -2.699 1.00 0.00 C ATOM 395 CG TYR A 25 -12.150 -1.339 -3.073 1.00 0.00 C ATOM 396 CD1 TYR A 25 -11.433 -2.098 -2.147 1.00 0.00 C ATOM 397 CD2 TYR A 25 -12.219 -1.771 -4.408 1.00 0.00 C ATOM 398 CE1 TYR A 25 -10.802 -3.269 -2.559 1.00 0.00 C ATOM 399 CE2 TYR A 25 -11.587 -2.950 -4.809 1.00 0.00 C ATOM 400 CZ TYR A 25 -10.880 -3.700 -3.884 1.00 0.00 C ATOM 401 OH TYR A 25 -10.259 -4.869 -4.275 1.00 0.00 O ATOM 0 H TYR A 25 -13.653 2.073 -2.130 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.389 -0.325 -0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.927 -0.160 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.470 0.759 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.368 -1.779 -1.117 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.766 -1.185 -5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.244 -3.853 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.649 -3.276 -5.837 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.357 -5.543 -3.570 1.00 0.00 H new ATOM 411 N ALA A 26 -10.579 1.069 -1.443 1.00 0.00 N ATOM 412 CA ALA A 26 -9.143 1.210 -1.067 1.00 0.00 C ATOM 413 C ALA A 26 -8.977 1.099 0.461 1.00 0.00 C ATOM 414 O ALA A 26 -8.407 0.150 0.957 1.00 0.00 O ATOM 415 CB ALA A 26 -8.781 2.620 -1.555 1.00 0.00 C ATOM 0 H ALA A 26 -10.856 1.588 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.507 0.438 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.736 2.827 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.936 2.683 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.414 3.352 -1.054 1.00 0.00 H new ATOM 421 N ASN A 27 -9.480 2.054 1.205 1.00 0.00 N ATOM 422 CA ASN A 27 -9.344 2.004 2.697 1.00 0.00 C ATOM 423 C ASN A 27 -10.454 1.161 3.344 1.00 0.00 C ATOM 424 O ASN A 27 -10.581 1.122 4.552 1.00 0.00 O ATOM 425 CB ASN A 27 -9.426 3.474 3.139 1.00 0.00 C ATOM 426 CG ASN A 27 -9.964 3.593 4.556 1.00 0.00 C ATOM 427 OD1 ASN A 27 -9.356 3.129 5.500 1.00 0.00 O ATOM 428 ND2 ASN A 27 -11.094 4.207 4.736 1.00 0.00 N ATOM 0 H ASN A 27 -9.979 2.867 0.844 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.412 1.530 3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.437 3.929 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.070 4.027 2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.478 4.303 5.676 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.597 4.593 3.937 1.00 0.00 H new ATOM 435 N ASN A 28 -11.253 0.485 2.573 1.00 0.00 N ATOM 436 CA ASN A 28 -12.337 -0.337 3.187 1.00 0.00 C ATOM 437 C ASN A 28 -12.127 -1.831 2.909 1.00 0.00 C ATOM 438 O ASN A 28 -12.960 -2.648 3.245 1.00 0.00 O ATOM 439 CB ASN A 28 -13.619 0.158 2.515 1.00 0.00 C ATOM 440 CG ASN A 28 -14.840 -0.420 3.239 1.00 0.00 C ATOM 441 OD1 ASN A 28 -15.274 -1.609 2.915 1.00 0.00 O flip ATOM 442 ND2 ASN A 28 -15.406 0.216 4.105 1.00 0.00 N flip ATOM 0 H ASN A 28 -11.207 0.463 1.554 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.363 -0.232 4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.654 1.247 2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -13.630 -0.142 1.467 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -15.068 1.144 4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.219 -0.178 4.578 1.00 0.00 H new ATOM 449 N PHE A 29 -11.041 -2.199 2.282 1.00 0.00 N ATOM 450 CA PHE A 29 -10.827 -3.646 1.977 1.00 0.00 C ATOM 451 C PHE A 29 -9.343 -3.941 1.681 1.00 0.00 C ATOM 452 O PHE A 29 -8.794 -4.921 2.130 1.00 0.00 O ATOM 453 CB PHE A 29 -11.708 -3.863 0.726 1.00 0.00 C ATOM 454 CG PHE A 29 -11.378 -5.149 -0.016 1.00 0.00 C ATOM 455 CD1 PHE A 29 -10.544 -6.131 0.532 1.00 0.00 C ATOM 456 CD2 PHE A 29 -11.878 -5.315 -1.310 1.00 0.00 C ATOM 457 CE1 PHE A 29 -10.214 -7.263 -0.215 1.00 0.00 C ATOM 458 CE2 PHE A 29 -11.556 -6.446 -2.054 1.00 0.00 C ATOM 459 CZ PHE A 29 -10.719 -7.423 -1.509 1.00 0.00 C ATOM 0 H PHE A 29 -10.301 -1.570 1.971 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.086 -4.307 2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -12.756 -3.881 1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.584 -3.017 0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.156 -6.013 1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.520 -4.559 -1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.567 -8.017 0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.952 -6.568 -3.051 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.463 -8.299 -2.086 1.00 0.00 H new ATOM 469 N LEU A 30 -8.698 -3.124 0.916 1.00 0.00 N ATOM 470 CA LEU A 30 -7.269 -3.406 0.560 1.00 0.00 C ATOM 471 C LEU A 30 -6.359 -2.886 1.632 1.00 0.00 C ATOM 472 O LEU A 30 -5.298 -3.416 1.901 1.00 0.00 O ATOM 473 CB LEU A 30 -7.038 -2.665 -0.768 1.00 0.00 C ATOM 474 CG LEU A 30 -8.224 -2.932 -1.666 1.00 0.00 C ATOM 475 CD1 LEU A 30 -8.261 -1.968 -2.855 1.00 0.00 C ATOM 476 CD2 LEU A 30 -8.181 -4.371 -2.206 1.00 0.00 C ATOM 0 H LEU A 30 -9.086 -2.270 0.515 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.064 -4.472 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.926 -1.595 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.118 -3.008 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.118 -2.785 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.127 -2.191 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.330 -0.943 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.351 -2.082 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.043 -4.544 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.265 -4.518 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.204 -5.073 -1.373 1.00 0.00 H new ATOM 488 N PHE A 31 -6.763 -1.837 2.219 1.00 0.00 N ATOM 489 CA PHE A 31 -5.943 -1.217 3.264 1.00 0.00 C ATOM 490 C PHE A 31 -6.178 -1.869 4.632 1.00 0.00 C ATOM 491 O PHE A 31 -5.258 -2.344 5.267 1.00 0.00 O ATOM 492 CB PHE A 31 -6.458 0.189 3.246 1.00 0.00 C ATOM 493 CG PHE A 31 -6.188 0.829 1.894 1.00 0.00 C ATOM 494 CD1 PHE A 31 -5.573 0.119 0.832 1.00 0.00 C ATOM 495 CD2 PHE A 31 -6.543 2.161 1.710 1.00 0.00 C ATOM 496 CE1 PHE A 31 -5.325 0.777 -0.379 1.00 0.00 C ATOM 497 CE2 PHE A 31 -6.283 2.804 0.508 1.00 0.00 C ATOM 498 CZ PHE A 31 -5.676 2.114 -0.530 1.00 0.00 C ATOM 0 H PHE A 31 -7.645 -1.364 2.022 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.870 -1.309 3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.528 0.195 3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.979 0.770 4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.299 -0.918 0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.026 2.701 2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.861 0.246 -1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.554 3.842 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.474 2.619 -1.463 1.00 0.00 H new ATOM 508 N LYS A 32 -7.398 -1.877 5.102 1.00 0.00 N ATOM 509 CA LYS A 32 -7.677 -2.480 6.439 1.00 0.00 C ATOM 510 C LYS A 32 -7.379 -3.987 6.433 1.00 0.00 C ATOM 511 O LYS A 32 -7.410 -4.632 7.462 1.00 0.00 O ATOM 512 CB LYS A 32 -9.163 -2.220 6.696 1.00 0.00 C ATOM 513 CG LYS A 32 -9.620 -3.021 7.919 1.00 0.00 C ATOM 514 CD LYS A 32 -10.341 -4.289 7.461 1.00 0.00 C ATOM 515 CE LYS A 32 -11.626 -4.468 8.271 1.00 0.00 C ATOM 516 NZ LYS A 32 -12.443 -5.431 7.482 1.00 0.00 N ATOM 0 H LYS A 32 -8.211 -1.493 4.620 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.049 -2.047 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.333 -1.156 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.749 -2.505 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.761 -3.282 8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.284 -2.415 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.575 -4.223 6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.693 -5.156 7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.414 -4.853 9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.148 -3.520 8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.343 -5.606 7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.634 -5.034 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.923 -6.326 7.382 1.00 0.00 H new ATOM 530 N GLN A 33 -7.083 -4.553 5.293 1.00 0.00 N ATOM 531 CA GLN A 33 -6.778 -6.018 5.255 1.00 0.00 C ATOM 532 C GLN A 33 -5.309 -6.250 4.867 1.00 0.00 C ATOM 533 O GLN A 33 -4.414 -6.044 5.663 1.00 0.00 O ATOM 534 CB GLN A 33 -7.715 -6.608 4.201 1.00 0.00 C ATOM 535 CG GLN A 33 -9.169 -6.419 4.637 1.00 0.00 C ATOM 536 CD GLN A 33 -9.862 -7.782 4.700 1.00 0.00 C ATOM 537 OE1 GLN A 33 -9.903 -8.408 5.741 1.00 0.00 O ATOM 538 NE2 GLN A 33 -10.413 -8.271 3.622 1.00 0.00 N ATOM 0 H GLN A 33 -7.039 -4.073 4.394 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.926 -6.487 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.548 -6.122 3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.502 -7.668 4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.208 -5.934 5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.689 -5.767 3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.379 -7.746 2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.878 -9.178 3.653 1.00 0.00 H new ATOM 547 N GLY A 34 -5.049 -6.685 3.657 1.00 0.00 N ATOM 548 CA GLY A 34 -3.637 -6.932 3.246 1.00 0.00 C ATOM 549 C GLY A 34 -3.525 -6.920 1.717 1.00 0.00 C ATOM 550 O GLY A 34 -2.650 -7.546 1.149 1.00 0.00 O ATOM 0 H GLY A 34 -5.751 -6.878 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.987 -6.168 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.299 -7.892 3.636 1.00 0.00 H new ATOM 554 N LEU A 35 -4.388 -6.207 1.044 1.00 0.00 N ATOM 555 CA LEU A 35 -4.304 -6.160 -0.444 1.00 0.00 C ATOM 556 C LEU A 35 -3.556 -4.908 -0.885 1.00 0.00 C ATOM 557 O LEU A 35 -2.675 -4.967 -1.711 1.00 0.00 O ATOM 558 CB LEU A 35 -5.738 -6.078 -0.961 1.00 0.00 C ATOM 559 CG LEU A 35 -6.602 -7.179 -0.352 1.00 0.00 C ATOM 560 CD1 LEU A 35 -7.468 -6.619 0.780 1.00 0.00 C ATOM 561 CD2 LEU A 35 -7.506 -7.732 -1.450 1.00 0.00 C ATOM 0 H LEU A 35 -5.142 -5.659 1.457 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.780 -7.036 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.161 -5.103 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.742 -6.166 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.963 -7.961 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.077 -7.419 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.827 -6.203 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.118 -5.836 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.135 -8.522 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.136 -6.932 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.894 -8.137 -2.256 1.00 0.00 H new ATOM 573 N ALA A 36 -3.935 -3.771 -0.365 1.00 0.00 N ATOM 574 CA ALA A 36 -3.268 -2.494 -0.783 1.00 0.00 C ATOM 575 C ALA A 36 -3.129 -1.497 0.362 1.00 0.00 C ATOM 576 O ALA A 36 -3.521 -1.746 1.486 1.00 0.00 O ATOM 577 CB ALA A 36 -4.230 -1.880 -1.790 1.00 0.00 C ATOM 0 H ALA A 36 -4.675 -3.667 0.329 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.266 -2.704 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.823 -0.936 -2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.364 -2.564 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.192 -1.700 -1.311 1.00 0.00 H new ATOM 583 N ILE A 37 -2.620 -0.333 0.044 1.00 0.00 N ATOM 584 CA ILE A 37 -2.508 0.748 1.060 1.00 0.00 C ATOM 585 C ILE A 37 -2.774 2.088 0.376 1.00 0.00 C ATOM 586 O ILE A 37 -2.318 2.347 -0.720 1.00 0.00 O ATOM 587 CB ILE A 37 -1.093 0.686 1.622 1.00 0.00 C ATOM 588 CG1 ILE A 37 -0.096 0.673 0.454 1.00 0.00 C ATOM 589 CG2 ILE A 37 -0.965 -0.570 2.488 1.00 0.00 C ATOM 590 CD1 ILE A 37 1.076 -0.278 0.732 1.00 0.00 C ATOM 0 H ILE A 37 -2.276 -0.087 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.229 0.631 1.869 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.877 1.555 2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.606 0.367 -0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.283 1.681 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.043 -0.628 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.686 -0.524 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.161 -1.453 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.764 -0.265 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.600 0.044 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.697 -1.290 0.876 1.00 0.00 H new ATOM 602 N GLU A 38 -3.525 2.922 1.019 1.00 0.00 N ATOM 603 CA GLU A 38 -3.866 4.258 0.433 1.00 0.00 C ATOM 604 C GLU A 38 -2.663 4.843 -0.290 1.00 0.00 C ATOM 605 O GLU A 38 -1.640 5.106 0.305 1.00 0.00 O ATOM 606 CB GLU A 38 -4.247 5.127 1.627 1.00 0.00 C ATOM 607 CG GLU A 38 -2.995 5.419 2.449 1.00 0.00 C ATOM 608 CD GLU A 38 -3.380 5.619 3.914 1.00 0.00 C ATOM 609 OE1 GLU A 38 -4.337 4.998 4.346 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.709 6.388 4.581 1.00 0.00 O ATOM 0 H GLU A 38 -3.928 2.743 1.939 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.671 4.192 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.699 6.058 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.990 4.618 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.287 4.595 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.497 6.311 2.068 1.00 0.00 H new ATOM 617 N ALA A 39 -2.767 5.040 -1.575 1.00 0.00 N ATOM 618 CA ALA A 39 -1.592 5.609 -2.311 1.00 0.00 C ATOM 619 C ALA A 39 -1.136 6.931 -1.672 1.00 0.00 C ATOM 620 O ALA A 39 -1.904 7.861 -1.518 1.00 0.00 O ATOM 621 CB ALA A 39 -2.071 5.845 -3.738 1.00 0.00 C ATOM 0 H ALA A 39 -3.592 4.839 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.738 4.933 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.257 6.262 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.391 4.899 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.908 6.543 -3.730 1.00 0.00 H new ATOM 627 N THR A 40 0.119 7.015 -1.308 1.00 0.00 N ATOM 628 CA THR A 40 0.660 8.269 -0.685 1.00 0.00 C ATOM 629 C THR A 40 2.093 8.484 -1.153 1.00 0.00 C ATOM 630 O THR A 40 2.797 7.537 -1.411 1.00 0.00 O ATOM 631 CB THR A 40 0.651 8.054 0.838 1.00 0.00 C ATOM 632 OG1 THR A 40 1.787 8.696 1.405 1.00 0.00 O ATOM 633 CG2 THR A 40 0.711 6.562 1.180 1.00 0.00 C ATOM 0 H THR A 40 0.800 6.264 -1.415 1.00 0.00 H new ATOM 0 HA THR A 40 0.062 9.137 -0.964 1.00 0.00 H new ATOM 0 HB THR A 40 -0.271 8.473 1.241 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.787 8.564 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.703 6.436 2.263 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.153 6.055 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.625 6.131 0.771 1.00 0.00 H new ATOM 641 N PRO A 41 2.488 9.717 -1.242 1.00 0.00 N ATOM 642 CA PRO A 41 3.879 9.960 -1.699 1.00 0.00 C ATOM 643 C PRO A 41 4.850 9.076 -0.913 1.00 0.00 C ATOM 644 O PRO A 41 5.586 8.299 -1.486 1.00 0.00 O ATOM 645 CB PRO A 41 4.113 11.438 -1.405 1.00 0.00 C ATOM 646 CG PRO A 41 3.155 11.772 -0.308 1.00 0.00 C ATOM 647 CD PRO A 41 1.973 10.849 -0.459 1.00 0.00 C ATOM 0 HA PRO A 41 4.034 9.724 -2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.143 11.621 -1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.930 12.050 -2.288 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.624 11.641 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.842 12.814 -0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.598 10.523 0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.147 11.343 -0.971 1.00 0.00 H new ATOM 655 N ALA A 42 4.845 9.177 0.389 1.00 0.00 N ATOM 656 CA ALA A 42 5.753 8.326 1.218 1.00 0.00 C ATOM 657 C ALA A 42 5.881 6.922 0.610 1.00 0.00 C ATOM 658 O ALA A 42 6.968 6.452 0.330 1.00 0.00 O ATOM 659 CB ALA A 42 5.081 8.254 2.590 1.00 0.00 C ATOM 0 H ALA A 42 4.250 9.814 0.918 1.00 0.00 H new ATOM 0 HA ALA A 42 6.761 8.737 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.687 7.645 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.984 9.259 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.092 7.807 2.488 1.00 0.00 H new ATOM 665 N ASN A 43 4.779 6.247 0.409 1.00 0.00 N ATOM 666 CA ASN A 43 4.839 4.874 -0.174 1.00 0.00 C ATOM 667 C ASN A 43 5.079 4.933 -1.686 1.00 0.00 C ATOM 668 O ASN A 43 5.969 4.290 -2.207 1.00 0.00 O ATOM 669 CB ASN A 43 3.475 4.256 0.124 1.00 0.00 C ATOM 670 CG ASN A 43 3.648 3.091 1.098 1.00 0.00 C ATOM 671 OD1 ASN A 43 4.756 2.700 1.404 1.00 0.00 O ATOM 672 ND2 ASN A 43 2.593 2.516 1.604 1.00 0.00 N ATOM 0 H ASN A 43 3.841 6.587 0.623 1.00 0.00 H new ATOM 0 HA ASN A 43 5.657 4.291 0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.809 5.006 0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.012 3.907 -0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.699 1.739 2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.662 2.843 1.348 1.00 0.00 H new ATOM 679 N LEU A 44 4.295 5.698 -2.400 1.00 0.00 N ATOM 680 CA LEU A 44 4.501 5.785 -3.874 1.00 0.00 C ATOM 681 C LEU A 44 5.990 5.987 -4.142 1.00 0.00 C ATOM 682 O LEU A 44 6.515 5.572 -5.155 1.00 0.00 O ATOM 683 CB LEU A 44 3.700 7.008 -4.350 1.00 0.00 C ATOM 684 CG LEU A 44 2.221 6.876 -3.961 1.00 0.00 C ATOM 685 CD1 LEU A 44 1.595 8.269 -3.876 1.00 0.00 C ATOM 686 CD2 LEU A 44 1.473 6.068 -5.018 1.00 0.00 C ATOM 0 H LEU A 44 3.529 6.261 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 44 4.174 4.885 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.117 7.915 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.789 7.108 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 44 2.152 6.370 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.544 8.180 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.119 8.858 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.675 8.763 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.424 5.979 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.546 6.573 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.913 5.074 -5.095 1.00 0.00 H new ATOM 698 N LYS A 45 6.674 6.610 -3.219 1.00 0.00 N ATOM 699 CA LYS A 45 8.136 6.830 -3.390 1.00 0.00 C ATOM 700 C LYS A 45 8.874 5.537 -3.040 1.00 0.00 C ATOM 701 O LYS A 45 9.904 5.222 -3.603 1.00 0.00 O ATOM 702 CB LYS A 45 8.492 7.945 -2.403 1.00 0.00 C ATOM 703 CG LYS A 45 9.829 8.576 -2.801 1.00 0.00 C ATOM 704 CD LYS A 45 10.691 8.784 -1.553 1.00 0.00 C ATOM 705 CE LYS A 45 9.927 9.642 -0.541 1.00 0.00 C ATOM 706 NZ LYS A 45 10.205 11.052 -0.940 1.00 0.00 N ATOM 0 H LYS A 45 6.280 6.976 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 45 8.411 7.103 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.708 8.703 -2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.555 7.543 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.349 7.933 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.658 9.530 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.946 7.821 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.629 9.270 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.859 9.428 -0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.265 9.446 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.714 11.700 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.229 11.229 -0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.866 11.211 -1.910 1.00 0.00 H new ATOM 720 N ALA A 46 8.334 4.777 -2.123 1.00 0.00 N ATOM 721 CA ALA A 46 8.975 3.488 -1.741 1.00 0.00 C ATOM 722 C ALA A 46 8.922 2.532 -2.931 1.00 0.00 C ATOM 723 O ALA A 46 9.887 1.873 -3.258 1.00 0.00 O ATOM 724 CB ALA A 46 8.129 2.959 -0.581 1.00 0.00 C ATOM 0 H ALA A 46 7.473 4.996 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 46 10.021 3.597 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.535 2.007 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.146 3.677 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.102 2.815 -0.916 1.00 0.00 H new ATOM 730 N LEU A 47 7.800 2.468 -3.593 1.00 0.00 N ATOM 731 CA LEU A 47 7.686 1.575 -4.777 1.00 0.00 C ATOM 732 C LEU A 47 8.884 1.811 -5.698 1.00 0.00 C ATOM 733 O LEU A 47 9.532 0.886 -6.147 1.00 0.00 O ATOM 734 CB LEU A 47 6.386 2.002 -5.462 1.00 0.00 C ATOM 735 CG LEU A 47 5.281 0.991 -5.151 1.00 0.00 C ATOM 736 CD1 LEU A 47 5.515 -0.286 -5.962 1.00 0.00 C ATOM 737 CD2 LEU A 47 5.295 0.655 -3.660 1.00 0.00 C ATOM 0 H LEU A 47 6.958 2.996 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 47 7.675 0.516 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.092 2.994 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.537 2.070 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 47 4.315 1.420 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.728 -1.007 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.501 -0.049 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.483 -0.713 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.507 -0.065 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.261 0.228 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.127 1.563 -3.081 1.00 0.00 H new ATOM 749 N GLU A 48 9.196 3.052 -5.968 1.00 0.00 N ATOM 750 CA GLU A 48 10.362 3.354 -6.841 1.00 0.00 C ATOM 751 C GLU A 48 11.656 3.078 -6.073 1.00 0.00 C ATOM 752 O GLU A 48 12.700 2.855 -6.653 1.00 0.00 O ATOM 753 CB GLU A 48 10.234 4.840 -7.175 1.00 0.00 C ATOM 754 CG GLU A 48 10.887 5.115 -8.532 1.00 0.00 C ATOM 755 CD GLU A 48 12.104 6.023 -8.342 1.00 0.00 C ATOM 756 OE1 GLU A 48 12.050 6.879 -7.476 1.00 0.00 O ATOM 757 OE2 GLU A 48 13.068 5.845 -9.069 1.00 0.00 O ATOM 0 H GLU A 48 8.692 3.868 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 48 10.385 2.743 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.183 5.129 -7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.712 5.440 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.190 4.177 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.170 5.587 -9.203 1.00 0.00 H new ATOM 764 N ALA A 49 11.587 3.075 -4.766 1.00 0.00 N ATOM 765 CA ALA A 49 12.805 2.792 -3.954 1.00 0.00 C ATOM 766 C ALA A 49 12.984 1.280 -3.819 1.00 0.00 C ATOM 767 O ALA A 49 14.077 0.763 -3.928 1.00 0.00 O ATOM 768 CB ALA A 49 12.542 3.426 -2.585 1.00 0.00 C ATOM 0 H ALA A 49 10.740 3.256 -4.228 1.00 0.00 H new ATOM 0 HA ALA A 49 13.711 3.193 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.400 3.256 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.384 4.498 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.654 2.976 -2.140 1.00 0.00 H new ATOM 774 N GLN A 50 11.912 0.564 -3.592 1.00 0.00 N ATOM 775 CA GLN A 50 12.022 -0.917 -3.463 1.00 0.00 C ATOM 776 C GLN A 50 12.692 -1.490 -4.715 1.00 0.00 C ATOM 777 O GLN A 50 13.428 -2.454 -4.650 1.00 0.00 O ATOM 778 CB GLN A 50 10.577 -1.418 -3.332 1.00 0.00 C ATOM 779 CG GLN A 50 10.494 -2.894 -3.741 1.00 0.00 C ATOM 780 CD GLN A 50 9.747 -3.012 -5.070 1.00 0.00 C ATOM 781 OE1 GLN A 50 8.534 -2.933 -5.107 1.00 0.00 O ATOM 782 NE2 GLN A 50 10.421 -3.198 -6.171 1.00 0.00 N ATOM 0 H GLN A 50 10.970 0.941 -3.491 1.00 0.00 H new ATOM 0 HA GLN A 50 12.625 -1.223 -2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.233 -1.297 -2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.918 -0.820 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.496 -3.313 -3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.980 -3.468 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.438 -3.264 -6.141 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.931 -3.277 -7.062 1.00 0.00 H new ATOM 791 N LYS A 51 12.447 -0.900 -5.854 1.00 0.00 N ATOM 792 CA LYS A 51 13.078 -1.412 -7.102 1.00 0.00 C ATOM 793 C LYS A 51 14.589 -1.176 -7.056 1.00 0.00 C ATOM 794 O LYS A 51 15.369 -1.983 -7.517 1.00 0.00 O ATOM 795 CB LYS A 51 12.450 -0.605 -8.240 1.00 0.00 C ATOM 796 CG LYS A 51 13.187 -0.918 -9.545 1.00 0.00 C ATOM 797 CD LYS A 51 12.171 -1.121 -10.668 1.00 0.00 C ATOM 798 CE LYS A 51 11.818 -2.606 -10.767 1.00 0.00 C ATOM 799 NZ LYS A 51 12.941 -3.219 -11.530 1.00 0.00 N ATOM 0 H LYS A 51 11.840 -0.089 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 51 12.918 -2.482 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.393 -0.852 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.509 0.461 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.865 -0.103 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.796 -1.814 -9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.273 -0.534 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.582 -0.769 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.721 -3.055 -9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.867 -2.752 -11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.594 -3.549 -12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.690 -2.512 -11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.324 -4.025 -10.996 1.00 0.00 H new ATOM 813 N GLN A 52 15.005 -0.071 -6.500 1.00 0.00 N ATOM 814 CA GLN A 52 16.465 0.226 -6.421 1.00 0.00 C ATOM 815 C GLN A 52 17.225 -0.981 -5.873 1.00 0.00 C ATOM 816 O GLN A 52 18.338 -1.261 -6.271 1.00 0.00 O ATOM 817 CB GLN A 52 16.574 1.401 -5.451 1.00 0.00 C ATOM 818 CG GLN A 52 17.961 2.036 -5.571 1.00 0.00 C ATOM 819 CD GLN A 52 17.969 3.034 -6.730 1.00 0.00 C ATOM 820 OE1 GLN A 52 16.925 3.447 -7.198 1.00 0.00 O ATOM 821 NE2 GLN A 52 19.109 3.440 -7.218 1.00 0.00 N ATOM 0 H GLN A 52 14.396 0.641 -6.096 1.00 0.00 H new ATOM 0 HA GLN A 52 16.891 0.454 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 52 15.804 2.140 -5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 52 16.406 1.060 -4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 52 18.223 2.541 -4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 52 18.712 1.264 -5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 52 19.984 3.093 -6.825 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.125 4.104 -7.992 1.00 0.00 H new ATOM 830 N LYS A 53 16.637 -1.695 -4.954 1.00 0.00 N ATOM 831 CA LYS A 53 17.329 -2.878 -4.374 1.00 0.00 C ATOM 832 C LYS A 53 16.309 -3.854 -3.786 1.00 0.00 C ATOM 833 O LYS A 53 16.195 -3.993 -2.583 1.00 0.00 O ATOM 834 CB LYS A 53 18.218 -2.306 -3.268 1.00 0.00 C ATOM 835 CG LYS A 53 19.479 -3.160 -3.120 1.00 0.00 C ATOM 836 CD LYS A 53 20.274 -3.128 -4.426 1.00 0.00 C ATOM 837 CE LYS A 53 21.572 -2.346 -4.210 1.00 0.00 C ATOM 838 NZ LYS A 53 22.665 -3.328 -4.460 1.00 0.00 N ATOM 0 H LYS A 53 15.706 -1.510 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 53 17.902 -3.429 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.490 -1.277 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.671 -2.283 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.091 -2.784 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.209 -4.186 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.498 -4.143 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.682 -2.662 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 53 21.640 -1.499 -4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 53 21.627 -1.945 -3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 23.586 -2.863 -4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 22.580 -4.120 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 22.593 -3.688 -5.433 1.00 0.00 H new ATOM 852 N GLU A 54 15.565 -4.535 -4.615 1.00 0.00 N ATOM 853 CA GLU A 54 14.563 -5.499 -4.079 1.00 0.00 C ATOM 854 C GLU A 54 15.281 -6.767 -3.587 1.00 0.00 C ATOM 855 O GLU A 54 15.775 -7.561 -4.361 1.00 0.00 O ATOM 856 CB GLU A 54 13.592 -5.776 -5.245 1.00 0.00 C ATOM 857 CG GLU A 54 14.045 -6.986 -6.072 1.00 0.00 C ATOM 858 CD GLU A 54 13.120 -7.153 -7.282 1.00 0.00 C ATOM 859 OE1 GLU A 54 13.322 -6.448 -8.258 1.00 0.00 O ATOM 860 OE2 GLU A 54 12.228 -7.982 -7.213 1.00 0.00 O ATOM 0 H GLU A 54 15.607 -4.467 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 54 14.013 -5.114 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.591 -5.955 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.530 -4.897 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.074 -6.848 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.026 -7.887 -5.459 1.00 0.00 H new ATOM 867 N GLN A 55 15.363 -6.943 -2.298 1.00 0.00 N ATOM 868 CA GLN A 55 16.057 -8.135 -1.746 1.00 0.00 C ATOM 869 C GLN A 55 15.287 -8.661 -0.536 1.00 0.00 C ATOM 870 O GLN A 55 15.810 -9.386 0.286 1.00 0.00 O ATOM 871 CB GLN A 55 17.433 -7.614 -1.335 1.00 0.00 C ATOM 872 CG GLN A 55 17.295 -6.655 -0.151 1.00 0.00 C ATOM 873 CD GLN A 55 17.786 -7.343 1.125 1.00 0.00 C ATOM 874 OE1 GLN A 55 16.931 -7.972 1.885 1.00 0.00 O flip ATOM 875 NE2 GLN A 55 18.961 -7.310 1.431 1.00 0.00 N flip ATOM 0 H GLN A 55 14.976 -6.307 -1.600 1.00 0.00 H new ATOM 0 HA GLN A 55 16.130 -8.958 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.081 -8.448 -1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 55 17.904 -7.103 -2.175 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.873 -5.749 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.255 -6.351 -0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 55 19.629 -6.819 0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 55 19.280 -7.774 2.282 1.00 0.00 H new ATOM 884 N ARG A 56 14.040 -8.291 -0.425 1.00 0.00 N ATOM 885 CA ARG A 56 13.216 -8.751 0.728 1.00 0.00 C ATOM 886 C ARG A 56 11.855 -9.252 0.234 1.00 0.00 C ATOM 887 O ARG A 56 11.097 -8.441 -0.273 1.00 0.00 O ATOM 888 CB ARG A 56 13.045 -7.505 1.594 1.00 0.00 C ATOM 889 CG ARG A 56 12.765 -7.913 3.046 1.00 0.00 C ATOM 890 CD ARG A 56 11.368 -7.440 3.483 1.00 0.00 C ATOM 891 NE ARG A 56 11.190 -6.087 2.877 1.00 0.00 N ATOM 892 CZ ARG A 56 10.266 -5.887 1.973 1.00 0.00 C ATOM 893 NH1 ARG A 56 9.826 -6.883 1.249 1.00 0.00 N ATOM 894 NH2 ARG A 56 9.784 -4.689 1.786 1.00 0.00 N ATOM 895 OXT ARG A 56 11.595 -10.436 0.372 1.00 0.00 O ATOM 0 H ARG A 56 13.554 -7.686 -1.088 1.00 0.00 H new ATOM 0 HA ARG A 56 13.677 -9.574 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.945 -6.892 1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 56 12.225 -6.897 1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.835 -8.996 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.522 -7.483 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.596 -8.128 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.292 -7.395 4.569 1.00 0.00 H new ATOM 0 HE ARG A 56 11.791 -5.316 3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.203 -7.820 1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.105 -6.723 0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.128 -3.908 2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.064 -4.533 1.081 1.00 0.00 H new TER 909 ARG A 56