USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 LYS NZ :NH3+ 154:sc= 0.435 (180deg=-0.78) USER MOD Set 1.2: A 47 ASN : amide:sc= -2.5! C(o=-2.1!,f=-18!) USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.0928 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -155:sc= 0.796 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0.122 (180deg=0.105) USER MOD Single : A 10 SER OG : rot -23:sc= 1.09 USER MOD Single : A 14 LYS NZ :NH3+ -114:sc= -0.383 (180deg=-0.883) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.704 USER MOD Single : A 29 SER OG : rot -106:sc= 0.173 USER MOD Single : A 41 THR OG1 : rot 26:sc= 0.0896 USER MOD Single : A 46 MET CE :methyl 165:sc= 0 (180deg=-0.156) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.12! C(o=-6.3!,f=-1.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.697 K(o=-0.7,f=-2.7!) USER MOD Single : A 65 SER OG : rot 160:sc= -2.13 USER MOD Single : A 66 THR OG1 : rot -110:sc= -0.216 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.79 F(o=-5.4!,f=-1.8) USER MOD Single : A 69 GLN : amide:sc= -0.892 K(o=-0.89,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.839 -3.067 6.235 1.00 1.00 N ATOM 2 CA ALA A 1 -10.471 -3.221 4.798 1.00 1.00 C ATOM 3 C ALA A 1 -10.693 -4.669 4.374 1.00 1.00 C ATOM 4 O ALA A 1 -10.676 -5.578 5.204 1.00 1.00 O ATOM 5 CB ALA A 1 -9.004 -2.835 4.601 1.00 1.00 C ATOM 0 H1 ALA A 1 -11.670 -2.446 6.316 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.063 -3.999 6.638 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.042 -2.648 6.755 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.094 -2.568 4.186 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.736 -2.948 3.551 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.857 -1.798 4.904 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.372 -3.483 5.208 1.00 1.00 H new ATOM 13 N LYS A 2 -10.899 -4.874 3.079 1.00 1.00 N ATOM 14 CA LYS A 2 -11.129 -6.213 2.550 1.00 1.00 C ATOM 15 C LYS A 2 -9.813 -6.977 2.459 1.00 1.00 C ATOM 16 O LYS A 2 -8.765 -6.398 2.194 1.00 1.00 O ATOM 17 CB LYS A 2 -11.765 -6.118 1.162 1.00 1.00 C ATOM 18 CG LYS A 2 -13.086 -5.335 1.227 1.00 1.00 C ATOM 19 CD LYS A 2 -14.200 -6.205 1.820 1.00 1.00 C ATOM 20 CE LYS A 2 -15.517 -5.431 1.793 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.586 -6.274 2.400 1.00 1.00 N ATOM 0 H LYS A 2 -10.912 -4.133 2.378 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.802 -6.746 3.222 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.078 -5.626 0.474 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.947 -7.119 0.770 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -12.955 -4.439 1.834 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.369 -5.004 0.228 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -14.297 -7.129 1.250 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.951 -6.486 2.843 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.416 -4.496 2.344 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.780 -5.170 0.768 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -17.487 -5.755 2.386 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -16.685 -7.154 1.855 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -16.333 -6.501 3.383 1.00 1.00 H new ATOM 35 N LYS A 3 -9.881 -8.282 2.684 1.00 1.00 N ATOM 36 CA LYS A 3 -8.688 -9.114 2.637 1.00 1.00 C ATOM 37 C LYS A 3 -8.044 -9.045 1.259 1.00 1.00 C ATOM 38 O LYS A 3 -6.819 -8.988 1.140 1.00 1.00 O ATOM 39 CB LYS A 3 -9.055 -10.564 2.946 1.00 1.00 C ATOM 40 CG LYS A 3 -9.625 -10.661 4.363 1.00 1.00 C ATOM 41 CD LYS A 3 -9.784 -12.134 4.759 1.00 1.00 C ATOM 42 CE LYS A 3 -10.822 -12.811 3.859 1.00 1.00 C ATOM 43 NZ LYS A 3 -11.272 -14.084 4.493 1.00 1.00 N ATOM 0 H LYS A 3 -10.743 -8.784 2.899 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.981 -8.745 3.381 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.787 -10.926 2.224 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -8.174 -11.200 2.854 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.964 -10.155 5.066 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -10.589 -10.155 4.412 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -8.826 -12.647 4.673 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -10.092 -12.207 5.802 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.673 -12.148 3.704 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -10.393 -13.012 2.878 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.977 -14.545 3.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -10.456 -14.717 4.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -11.697 -13.879 5.420 1.00 1.00 H new ATOM 57 N GLU A 4 -8.871 -9.054 0.223 1.00 1.00 N ATOM 58 CA GLU A 4 -8.361 -8.995 -1.138 1.00 1.00 C ATOM 59 C GLU A 4 -7.536 -7.725 -1.340 1.00 1.00 C ATOM 60 O GLU A 4 -6.450 -7.764 -1.919 1.00 1.00 O ATOM 61 CB GLU A 4 -9.530 -9.018 -2.132 1.00 1.00 C ATOM 62 CG GLU A 4 -10.320 -7.707 -2.032 1.00 1.00 C ATOM 63 CD GLU A 4 -11.668 -7.851 -2.731 1.00 1.00 C ATOM 64 OE1 GLU A 4 -11.727 -8.552 -3.727 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.624 -7.257 -2.257 1.00 1.00 O ATOM 0 H GLU A 4 -9.887 -9.101 0.298 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.722 -9.861 -1.312 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.155 -9.151 -3.147 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.183 -9.864 -1.920 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.471 -7.444 -0.985 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -9.751 -6.895 -2.486 1.00 1.00 H new ATOM 72 N THR A 5 -8.065 -6.601 -0.866 1.00 1.00 N ATOM 73 CA THR A 5 -7.379 -5.325 -1.002 1.00 1.00 C ATOM 74 C THR A 5 -6.087 -5.327 -0.195 1.00 1.00 C ATOM 75 O THR A 5 -5.054 -4.852 -0.657 1.00 1.00 O ATOM 76 CB THR A 5 -8.288 -4.181 -0.537 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.588 -4.384 -1.071 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.741 -2.852 -1.068 1.00 1.00 C ATOM 0 H THR A 5 -8.964 -6.550 -0.386 1.00 1.00 H new ATOM 0 HA THR A 5 -7.134 -5.175 -2.053 1.00 1.00 H new ATOM 0 HB THR A 5 -8.324 -4.158 0.552 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.054 -3.524 -1.134 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.385 -2.036 -0.739 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.732 -2.695 -0.686 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.716 -2.878 -2.157 1.00 1.00 H new ATOM 86 N ILE A 6 -6.157 -5.868 1.014 1.00 1.00 N ATOM 87 CA ILE A 6 -4.993 -5.930 1.888 1.00 1.00 C ATOM 88 C ILE A 6 -3.876 -6.738 1.236 1.00 1.00 C ATOM 89 O ILE A 6 -2.713 -6.337 1.266 1.00 1.00 O ATOM 90 CB ILE A 6 -5.385 -6.579 3.227 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.321 -5.644 4.000 1.00 1.00 C ATOM 92 CG2 ILE A 6 -4.135 -6.842 4.071 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.937 -6.386 5.198 1.00 1.00 C ATOM 0 H ILE A 6 -7.006 -6.270 1.411 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.635 -4.916 2.063 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.890 -7.523 3.023 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.769 -4.771 4.348 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -7.110 -5.281 3.342 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.424 -7.301 5.016 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.466 -7.512 3.531 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.623 -5.900 4.267 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.601 -5.713 5.741 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.505 -7.245 4.841 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -6.143 -6.727 5.863 1.00 1.00 H new ATOM 105 N ASP A 7 -4.229 -7.869 0.650 1.00 1.00 N ATOM 106 CA ASP A 7 -3.233 -8.713 0.001 1.00 1.00 C ATOM 107 C ASP A 7 -2.587 -7.971 -1.155 1.00 1.00 C ATOM 108 O ASP A 7 -1.384 -8.078 -1.387 1.00 1.00 O ATOM 109 CB ASP A 7 -3.900 -9.985 -0.519 1.00 1.00 C ATOM 110 CG ASP A 7 -2.844 -11.026 -0.875 1.00 1.00 C ATOM 111 OD1 ASP A 7 -1.739 -10.925 -0.365 1.00 1.00 O ATOM 112 OD2 ASP A 7 -3.156 -11.914 -1.651 1.00 1.00 O ATOM 0 H ASP A 7 -5.185 -8.224 0.608 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.464 -8.973 0.728 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.575 -10.385 0.237 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -4.504 -9.755 -1.396 1.00 1.00 H new ATOM 117 N LYS A 8 -3.395 -7.215 -1.874 1.00 1.00 N ATOM 118 CA LYS A 8 -2.898 -6.450 -3.008 1.00 1.00 C ATOM 119 C LYS A 8 -1.909 -5.392 -2.549 1.00 1.00 C ATOM 120 O LYS A 8 -0.861 -5.214 -3.154 1.00 1.00 O ATOM 121 CB LYS A 8 -4.062 -5.747 -3.699 1.00 1.00 C ATOM 122 CG LYS A 8 -4.939 -6.751 -4.467 1.00 1.00 C ATOM 123 CD LYS A 8 -4.376 -6.998 -5.883 1.00 1.00 C ATOM 124 CE LYS A 8 -4.921 -5.947 -6.856 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.373 -6.198 -8.220 1.00 1.00 N ATOM 0 H LYS A 8 -4.394 -7.113 -1.696 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.403 -7.139 -3.693 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.667 -5.224 -2.958 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -3.679 -4.993 -4.387 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -4.986 -7.693 -3.920 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -5.958 -6.372 -4.537 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.287 -6.956 -5.862 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.650 -7.997 -6.223 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.010 -5.986 -6.877 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.645 -4.948 -6.520 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -4.757 -5.495 -8.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.336 -6.123 -8.197 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.644 -7.152 -8.533 1.00 1.00 H new ATOM 139 N VAL A 9 -2.254 -4.678 -1.490 1.00 1.00 N ATOM 140 CA VAL A 9 -1.379 -3.632 -0.997 1.00 1.00 C ATOM 141 C VAL A 9 -0.053 -4.221 -0.554 1.00 1.00 C ATOM 142 O VAL A 9 1.017 -3.717 -0.906 1.00 1.00 O ATOM 143 CB VAL A 9 -2.041 -2.912 0.175 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.099 -1.837 0.720 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.346 -2.257 -0.284 1.00 1.00 C ATOM 0 H VAL A 9 -3.119 -4.801 -0.964 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.197 -2.919 -1.801 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.258 -3.638 0.959 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.576 -1.326 1.556 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.173 -2.302 1.059 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.876 -1.116 -0.066 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.812 -1.745 0.558 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.133 -1.536 -1.074 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.023 -3.022 -0.664 1.00 1.00 H new ATOM 155 N SER A 10 -0.130 -5.294 0.213 1.00 1.00 N ATOM 156 CA SER A 10 1.068 -5.954 0.696 1.00 1.00 C ATOM 157 C SER A 10 1.895 -6.471 -0.470 1.00 1.00 C ATOM 158 O SER A 10 3.103 -6.593 -0.359 1.00 1.00 O ATOM 159 CB SER A 10 0.696 -7.131 1.606 1.00 1.00 C ATOM 160 OG SER A 10 0.010 -8.114 0.843 1.00 1.00 O ATOM 0 H SER A 10 -1.005 -5.724 0.513 1.00 1.00 H new ATOM 0 HA SER A 10 1.652 -5.227 1.260 1.00 1.00 H new ATOM 0 HB2 SER A 10 1.594 -7.560 2.051 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.067 -6.787 2.427 1.00 1.00 H new ATOM 0 HG SER A 10 -0.383 -7.696 0.049 1.00 1.00 H new ATOM 166 N ASP A 11 1.228 -6.780 -1.579 1.00 1.00 N ATOM 167 CA ASP A 11 1.905 -7.298 -2.757 1.00 1.00 C ATOM 168 C ASP A 11 2.740 -6.213 -3.433 1.00 1.00 C ATOM 169 O ASP A 11 3.840 -6.472 -3.917 1.00 1.00 O ATOM 170 CB ASP A 11 0.853 -7.857 -3.739 1.00 1.00 C ATOM 171 CG ASP A 11 0.477 -9.300 -3.394 1.00 1.00 C ATOM 172 OD1 ASP A 11 1.301 -10.001 -2.830 1.00 1.00 O ATOM 173 OD2 ASP A 11 -0.636 -9.688 -3.710 1.00 1.00 O ATOM 0 H ASP A 11 0.218 -6.679 -1.683 1.00 1.00 H new ATOM 0 HA ASP A 11 2.584 -8.095 -2.453 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.039 -7.231 -3.714 1.00 1.00 H new ATOM 0 HB3 ASP A 11 1.244 -7.814 -4.756 1.00 1.00 H new ATOM 178 N ILE A 12 2.211 -4.999 -3.475 1.00 1.00 N ATOM 179 CA ILE A 12 2.914 -3.912 -4.129 1.00 1.00 C ATOM 180 C ILE A 12 4.350 -3.809 -3.625 1.00 1.00 C ATOM 181 O ILE A 12 5.288 -3.808 -4.412 1.00 1.00 O ATOM 182 CB ILE A 12 2.188 -2.605 -3.855 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.723 -2.678 -4.290 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.861 -1.471 -4.612 1.00 1.00 C ATOM 185 CD1 ILE A 12 0.557 -3.286 -5.682 1.00 1.00 C ATOM 0 H ILE A 12 1.310 -4.746 -3.069 1.00 1.00 H new ATOM 0 HA ILE A 12 2.937 -4.110 -5.201 1.00 1.00 H new ATOM 0 HB ILE A 12 2.230 -2.424 -2.781 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.162 -3.272 -3.568 1.00 1.00 H new ATOM 0 HG13 ILE A 12 0.294 -1.676 -4.281 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.336 -0.537 -4.411 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.898 -1.381 -4.287 1.00 1.00 H new ATOM 0 HG23 ILE A 12 2.833 -1.680 -5.681 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.501 -3.315 -5.943 1.00 1.00 H new ATOM 0 HD12 ILE A 12 1.094 -2.679 -6.411 1.00 1.00 H new ATOM 0 HD13 ILE A 12 0.960 -4.299 -5.687 1.00 1.00 H new ATOM 197 N VAL A 13 4.518 -3.758 -2.317 1.00 1.00 N ATOM 198 CA VAL A 13 5.843 -3.674 -1.738 1.00 1.00 C ATOM 199 C VAL A 13 6.675 -4.864 -2.184 1.00 1.00 C ATOM 200 O VAL A 13 7.877 -4.743 -2.376 1.00 1.00 O ATOM 201 CB VAL A 13 5.735 -3.656 -0.214 1.00 1.00 C ATOM 202 CG1 VAL A 13 7.120 -3.453 0.395 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.812 -2.516 0.222 1.00 1.00 C ATOM 0 H VAL A 13 3.756 -3.773 -1.639 1.00 1.00 H new ATOM 0 HA VAL A 13 6.327 -2.757 -2.074 1.00 1.00 H new ATOM 0 HB VAL A 13 5.324 -4.605 0.130 1.00 1.00 H new ATOM 0 HG11 VAL A 13 7.041 -3.440 1.482 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.775 -4.268 0.088 1.00 1.00 H new ATOM 0 HG13 VAL A 13 7.534 -2.505 0.050 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.736 -2.505 1.309 1.00 1.00 H new ATOM 0 HG22 VAL A 13 5.219 -1.566 -0.123 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.822 -2.664 -0.209 1.00 1.00 H new ATOM 213 N LYS A 14 6.037 -6.014 -2.346 1.00 1.00 N ATOM 214 CA LYS A 14 6.748 -7.209 -2.787 1.00 1.00 C ATOM 215 C LYS A 14 7.010 -7.164 -4.284 1.00 1.00 C ATOM 216 O LYS A 14 8.021 -7.674 -4.765 1.00 1.00 O ATOM 217 CB LYS A 14 5.932 -8.450 -2.474 1.00 1.00 C ATOM 218 CG LYS A 14 5.670 -8.496 -0.955 1.00 1.00 C ATOM 219 CD LYS A 14 5.464 -9.948 -0.448 1.00 1.00 C ATOM 220 CE LYS A 14 6.374 -10.240 0.761 1.00 1.00 C ATOM 221 NZ LYS A 14 5.786 -9.606 1.972 1.00 1.00 N ATOM 0 H LYS A 14 5.039 -6.147 -2.181 1.00 1.00 H new ATOM 0 HA LYS A 14 7.699 -7.244 -2.256 1.00 1.00 H new ATOM 0 HB2 LYS A 14 4.989 -8.430 -3.020 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.467 -9.345 -2.793 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.510 -8.043 -0.428 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.788 -7.901 -0.720 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.421 -10.096 -0.168 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.681 -10.653 -1.251 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.471 -11.316 0.908 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.376 -9.851 0.581 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.414 -8.848 2.307 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 4.855 -9.206 1.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.677 -10.321 2.720 1.00 1.00 H new ATOM 235 N GLU A 15 6.074 -6.562 -5.013 1.00 1.00 N ATOM 236 CA GLU A 15 6.184 -6.463 -6.461 1.00 1.00 C ATOM 237 C GLU A 15 7.339 -5.555 -6.844 1.00 1.00 C ATOM 238 O GLU A 15 7.833 -5.599 -7.971 1.00 1.00 O ATOM 239 CB GLU A 15 4.867 -5.934 -7.055 1.00 1.00 C ATOM 240 CG GLU A 15 3.799 -7.033 -6.996 1.00 1.00 C ATOM 241 CD GLU A 15 2.460 -6.477 -7.461 1.00 1.00 C ATOM 242 OE1 GLU A 15 2.416 -5.307 -7.807 1.00 1.00 O ATOM 243 OE2 GLU A 15 1.496 -7.225 -7.466 1.00 1.00 O ATOM 0 H GLU A 15 5.233 -6.137 -4.623 1.00 1.00 H new ATOM 0 HA GLU A 15 6.378 -7.456 -6.866 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.532 -5.057 -6.501 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.022 -5.619 -8.087 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.093 -7.873 -7.626 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.711 -7.413 -5.978 1.00 1.00 H new ATOM 250 N LYS A 16 7.763 -4.736 -5.895 1.00 1.00 N ATOM 251 CA LYS A 16 8.864 -3.816 -6.126 1.00 1.00 C ATOM 252 C LYS A 16 10.156 -4.587 -6.404 1.00 1.00 C ATOM 253 O LYS A 16 10.979 -4.161 -7.216 1.00 1.00 O ATOM 254 CB LYS A 16 9.025 -2.887 -4.900 1.00 1.00 C ATOM 255 CG LYS A 16 8.319 -1.547 -5.127 1.00 1.00 C ATOM 256 CD LYS A 16 6.814 -1.739 -5.273 1.00 1.00 C ATOM 257 CE LYS A 16 6.218 -0.497 -5.931 1.00 1.00 C ATOM 258 NZ LYS A 16 6.667 -0.418 -7.350 1.00 1.00 N ATOM 0 H LYS A 16 7.362 -4.690 -4.958 1.00 1.00 H new ATOM 0 HA LYS A 16 8.647 -3.206 -7.002 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.614 -3.373 -4.015 1.00 1.00 H new ATOM 0 HB3 LYS A 16 10.084 -2.715 -4.706 1.00 1.00 H new ATOM 0 HG2 LYS A 16 8.524 -0.878 -4.291 1.00 1.00 H new ATOM 0 HG3 LYS A 16 8.717 -1.070 -6.023 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.604 -2.622 -5.876 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.359 -1.903 -4.296 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.130 -0.536 -5.885 1.00 1.00 H new ATOM 0 HE3 LYS A 16 6.528 0.397 -5.391 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 5.969 0.116 -7.906 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.588 0.063 -7.396 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.758 -1.378 -7.739 1.00 1.00 H new ATOM 272 N LEU A 17 10.335 -5.715 -5.720 1.00 1.00 N ATOM 273 CA LEU A 17 11.534 -6.530 -5.896 1.00 1.00 C ATOM 274 C LEU A 17 11.155 -7.981 -6.166 1.00 1.00 C ATOM 275 O LEU A 17 12.004 -8.869 -6.130 1.00 1.00 O ATOM 276 CB LEU A 17 12.403 -6.448 -4.640 1.00 1.00 C ATOM 277 CG LEU A 17 11.546 -6.723 -3.392 1.00 1.00 C ATOM 278 CD1 LEU A 17 12.468 -7.004 -2.201 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.593 -5.542 -3.078 1.00 1.00 C ATOM 0 H LEU A 17 9.668 -6.084 -5.042 1.00 1.00 H new ATOM 0 HA LEU A 17 12.094 -6.150 -6.750 1.00 1.00 H new ATOM 0 HB2 LEU A 17 13.215 -7.172 -4.701 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.861 -5.461 -4.568 1.00 1.00 H new ATOM 0 HG LEU A 17 10.920 -7.594 -3.586 1.00 1.00 H new ATOM 0 HD11 LEU A 17 11.866 -7.200 -1.313 1.00 1.00 H new ATOM 0 HD12 LEU A 17 13.088 -7.874 -2.418 1.00 1.00 H new ATOM 0 HD13 LEU A 17 13.106 -6.139 -2.023 1.00 1.00 H new ATOM 0 HD21 LEU A 17 10.005 -5.775 -2.190 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.178 -4.640 -2.899 1.00 1.00 H new ATOM 0 HD23 LEU A 17 9.924 -5.379 -3.923 1.00 1.00 H new ATOM 291 N ALA A 18 9.874 -8.209 -6.442 1.00 1.00 N ATOM 292 CA ALA A 18 9.389 -9.555 -6.726 1.00 1.00 C ATOM 293 C ALA A 18 9.501 -10.454 -5.497 1.00 1.00 C ATOM 294 O ALA A 18 10.474 -11.194 -5.343 1.00 1.00 O ATOM 295 CB ALA A 18 10.194 -10.159 -7.881 1.00 1.00 C ATOM 0 H ALA A 18 9.157 -7.484 -6.475 1.00 1.00 H new ATOM 0 HA ALA A 18 8.337 -9.487 -7.004 1.00 1.00 H new ATOM 0 HB1 ALA A 18 9.830 -11.165 -8.091 1.00 1.00 H new ATOM 0 HB2 ALA A 18 10.078 -9.538 -8.769 1.00 1.00 H new ATOM 0 HB3 ALA A 18 11.248 -10.205 -7.605 1.00 1.00 H new ATOM 301 N LEU A 19 8.496 -10.389 -4.624 1.00 1.00 N ATOM 302 CA LEU A 19 8.480 -11.208 -3.408 1.00 1.00 C ATOM 303 C LEU A 19 7.110 -11.863 -3.215 1.00 1.00 C ATOM 304 O LEU A 19 6.249 -11.807 -4.092 1.00 1.00 O ATOM 305 CB LEU A 19 8.844 -10.329 -2.190 1.00 1.00 C ATOM 306 CG LEU A 19 10.221 -10.723 -1.618 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.316 -10.605 -2.701 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.538 -9.803 -0.432 1.00 1.00 C ATOM 0 H LEU A 19 7.684 -9.781 -4.734 1.00 1.00 H new ATOM 0 HA LEU A 19 9.218 -12.004 -3.505 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.855 -9.280 -2.484 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.081 -10.436 -1.419 1.00 1.00 H new ATOM 0 HG LEU A 19 10.196 -11.761 -1.285 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.279 -10.887 -2.277 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.078 -11.268 -3.533 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.365 -9.577 -3.059 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.510 -10.068 -0.015 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.559 -8.767 -0.771 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.771 -9.919 0.334 1.00 1.00 H new ATOM 320 N GLY A 20 6.932 -12.490 -2.052 1.00 1.00 N ATOM 321 CA GLY A 20 5.679 -13.171 -1.723 1.00 1.00 C ATOM 322 C GLY A 20 5.805 -14.668 -1.967 1.00 1.00 C ATOM 323 O GLY A 20 4.899 -15.434 -1.646 1.00 1.00 O ATOM 0 H GLY A 20 7.641 -12.541 -1.321 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.422 -12.987 -0.680 1.00 1.00 H new ATOM 0 HA3 GLY A 20 4.868 -12.765 -2.328 1.00 1.00 H new ATOM 327 N ALA A 21 6.937 -15.084 -2.532 1.00 1.00 N ATOM 328 CA ALA A 21 7.164 -16.497 -2.809 1.00 1.00 C ATOM 329 C ALA A 21 7.671 -17.205 -1.561 1.00 1.00 C ATOM 330 O ALA A 21 6.945 -17.977 -0.934 1.00 1.00 O ATOM 331 CB ALA A 21 8.183 -16.656 -3.940 1.00 1.00 C ATOM 0 H ALA A 21 7.703 -14.468 -2.804 1.00 1.00 H new ATOM 0 HA ALA A 21 6.218 -16.946 -3.113 1.00 1.00 H new ATOM 0 HB1 ALA A 21 8.344 -17.716 -4.138 1.00 1.00 H new ATOM 0 HB2 ALA A 21 7.805 -16.172 -4.841 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.126 -16.194 -3.648 1.00 1.00 H new ATOM 337 N ASP A 22 8.927 -16.939 -1.205 1.00 1.00 N ATOM 338 CA ASP A 22 9.535 -17.555 -0.025 1.00 1.00 C ATOM 339 C ASP A 22 9.468 -16.614 1.173 1.00 1.00 C ATOM 340 O ASP A 22 10.072 -16.878 2.214 1.00 1.00 O ATOM 341 CB ASP A 22 10.994 -17.905 -0.314 1.00 1.00 C ATOM 342 CG ASP A 22 11.066 -18.988 -1.385 1.00 1.00 C ATOM 343 OD1 ASP A 22 10.054 -19.626 -1.621 1.00 1.00 O ATOM 344 OD2 ASP A 22 12.130 -19.161 -1.954 1.00 1.00 O ATOM 0 H ASP A 22 9.542 -16.304 -1.714 1.00 1.00 H new ATOM 0 HA ASP A 22 8.979 -18.463 0.210 1.00 1.00 H new ATOM 0 HB2 ASP A 22 11.531 -17.017 -0.646 1.00 1.00 H new ATOM 0 HB3 ASP A 22 11.482 -18.250 0.598 1.00 1.00 H new ATOM 349 N VAL A 23 8.738 -15.509 1.020 1.00 1.00 N ATOM 350 CA VAL A 23 8.600 -14.522 2.094 1.00 1.00 C ATOM 351 C VAL A 23 7.149 -14.435 2.555 1.00 1.00 C ATOM 352 O VAL A 23 6.231 -14.333 1.741 1.00 1.00 O ATOM 353 CB VAL A 23 9.060 -13.150 1.598 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.926 -12.130 2.729 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.523 -13.235 1.153 1.00 1.00 C ATOM 0 H VAL A 23 8.234 -15.274 0.165 1.00 1.00 H new ATOM 0 HA VAL A 23 9.220 -14.834 2.935 1.00 1.00 H new ATOM 0 HB VAL A 23 8.442 -12.839 0.755 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.253 -11.152 2.377 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.884 -12.072 3.045 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.544 -12.438 3.572 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.853 -12.258 0.799 1.00 1.00 H new ATOM 0 HG22 VAL A 23 11.142 -13.544 1.995 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.617 -13.963 0.348 1.00 1.00 H new ATOM 365 N VAL A 24 6.954 -14.479 3.869 1.00 1.00 N ATOM 366 CA VAL A 24 5.613 -14.406 4.435 1.00 1.00 C ATOM 367 C VAL A 24 5.042 -13.007 4.248 1.00 1.00 C ATOM 368 O VAL A 24 5.716 -12.013 4.522 1.00 1.00 O ATOM 369 CB VAL A 24 5.655 -14.744 5.924 1.00 1.00 C ATOM 370 CG1 VAL A 24 4.252 -14.618 6.520 1.00 1.00 C ATOM 371 CG2 VAL A 24 6.160 -16.177 6.107 1.00 1.00 C ATOM 0 H VAL A 24 7.702 -14.564 4.557 1.00 1.00 H new ATOM 0 HA VAL A 24 4.977 -15.126 3.920 1.00 1.00 H new ATOM 0 HB VAL A 24 6.327 -14.053 6.433 1.00 1.00 H new ATOM 0 HG11 VAL A 24 4.285 -14.860 7.582 1.00 1.00 H new ATOM 0 HG12 VAL A 24 3.892 -13.597 6.391 1.00 1.00 H new ATOM 0 HG13 VAL A 24 3.578 -15.307 6.012 1.00 1.00 H new ATOM 0 HG21 VAL A 24 6.190 -16.419 7.169 1.00 1.00 H new ATOM 0 HG22 VAL A 24 5.489 -16.867 5.596 1.00 1.00 H new ATOM 0 HG23 VAL A 24 7.161 -16.266 5.686 1.00 1.00 H new ATOM 381 N VAL A 25 3.799 -12.931 3.775 1.00 1.00 N ATOM 382 CA VAL A 25 3.147 -11.640 3.547 1.00 1.00 C ATOM 383 C VAL A 25 2.120 -11.361 4.640 1.00 1.00 C ATOM 384 O VAL A 25 1.230 -12.175 4.890 1.00 1.00 O ATOM 385 CB VAL A 25 2.449 -11.651 2.188 1.00 1.00 C ATOM 386 CG1 VAL A 25 2.015 -10.231 1.826 1.00 1.00 C ATOM 387 CG2 VAL A 25 3.389 -12.222 1.127 1.00 1.00 C ATOM 0 H VAL A 25 3.225 -13.742 3.543 1.00 1.00 H new ATOM 0 HA VAL A 25 3.906 -10.858 3.566 1.00 1.00 H new ATOM 0 HB VAL A 25 1.563 -12.284 2.235 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.517 -10.239 0.856 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.327 -9.856 2.584 1.00 1.00 H new ATOM 0 HG13 VAL A 25 2.891 -9.584 1.779 1.00 1.00 H new ATOM 0 HG21 VAL A 25 2.886 -12.227 0.160 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.286 -11.606 1.066 1.00 1.00 H new ATOM 0 HG23 VAL A 25 3.667 -13.241 1.397 1.00 1.00 H new ATOM 397 N THR A 26 2.244 -10.199 5.284 1.00 1.00 N ATOM 398 CA THR A 26 1.321 -9.808 6.347 1.00 1.00 C ATOM 399 C THR A 26 1.004 -8.321 6.247 1.00 1.00 C ATOM 400 O THR A 26 1.821 -7.529 5.777 1.00 1.00 O ATOM 401 CB THR A 26 1.945 -10.129 7.716 1.00 1.00 C ATOM 402 OG1 THR A 26 3.338 -9.858 7.681 1.00 1.00 O ATOM 403 CG2 THR A 26 1.732 -11.604 8.049 1.00 1.00 C ATOM 0 H THR A 26 2.974 -9.514 5.087 1.00 1.00 H new ATOM 0 HA THR A 26 0.392 -10.368 6.239 1.00 1.00 H new ATOM 0 HB THR A 26 1.469 -9.510 8.477 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.733 -10.062 8.555 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.176 -11.826 9.020 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.664 -11.819 8.081 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.204 -12.221 7.285 1.00 1.00 H new ATOM 411 N ALA A 27 -0.187 -7.953 6.690 1.00 1.00 N ATOM 412 CA ALA A 27 -0.613 -6.567 6.651 1.00 1.00 C ATOM 413 C ALA A 27 0.074 -5.752 7.741 1.00 1.00 C ATOM 414 O ALA A 27 0.565 -4.651 7.506 1.00 1.00 O ATOM 415 CB ALA A 27 -2.132 -6.495 6.840 1.00 1.00 C ATOM 0 H ALA A 27 -0.875 -8.597 7.081 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.337 -6.149 5.683 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.453 -5.454 6.811 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.625 -7.049 6.041 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.400 -6.931 7.803 1.00 1.00 H new ATOM 421 N ASP A 28 0.095 -6.298 8.944 1.00 1.00 N ATOM 422 CA ASP A 28 0.700 -5.594 10.057 1.00 1.00 C ATOM 423 C ASP A 28 2.213 -5.590 9.919 1.00 1.00 C ATOM 424 O ASP A 28 2.934 -5.303 10.874 1.00 1.00 O ATOM 425 CB ASP A 28 0.305 -6.256 11.377 1.00 1.00 C ATOM 426 CG ASP A 28 -1.199 -6.508 11.401 1.00 1.00 C ATOM 427 OD1 ASP A 28 -1.868 -6.057 10.485 1.00 1.00 O ATOM 428 OD2 ASP A 28 -1.658 -7.150 12.330 1.00 1.00 O ATOM 0 H ASP A 28 -0.294 -7.213 9.172 1.00 1.00 H new ATOM 0 HA ASP A 28 0.341 -4.565 10.052 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.842 -7.197 11.497 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.589 -5.618 12.214 1.00 1.00 H new ATOM 433 N SER A 29 2.695 -5.932 8.727 1.00 1.00 N ATOM 434 CA SER A 29 4.129 -5.980 8.490 1.00 1.00 C ATOM 435 C SER A 29 4.700 -4.586 8.273 1.00 1.00 C ATOM 436 O SER A 29 5.914 -4.418 8.147 1.00 1.00 O ATOM 437 CB SER A 29 4.427 -6.844 7.268 1.00 1.00 C ATOM 438 OG SER A 29 4.377 -6.035 6.101 1.00 1.00 O ATOM 0 H SER A 29 2.119 -6.177 7.921 1.00 1.00 H new ATOM 0 HA SER A 29 4.599 -6.413 9.373 1.00 1.00 H new ATOM 0 HB2 SER A 29 5.410 -7.304 7.364 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.702 -7.654 7.195 1.00 1.00 H new ATOM 0 HG SER A 29 3.557 -6.231 5.602 1.00 1.00 H new ATOM 444 N GLU A 30 3.821 -3.595 8.226 1.00 1.00 N ATOM 445 CA GLU A 30 4.241 -2.214 8.021 1.00 1.00 C ATOM 446 C GLU A 30 4.986 -2.082 6.698 1.00 1.00 C ATOM 447 O GLU A 30 5.730 -2.977 6.298 1.00 1.00 O ATOM 448 CB GLU A 30 5.143 -1.764 9.174 1.00 1.00 C ATOM 449 CG GLU A 30 4.418 -1.978 10.504 1.00 1.00 C ATOM 450 CD GLU A 30 5.327 -1.586 11.662 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.390 -1.048 11.399 1.00 1.00 O ATOM 452 OE2 GLU A 30 4.949 -1.828 12.797 1.00 1.00 O ATOM 0 H GLU A 30 2.814 -3.720 8.327 1.00 1.00 H new ATOM 0 HA GLU A 30 3.356 -1.579 7.993 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.076 -2.328 9.161 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.405 -0.713 9.056 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.505 -1.383 10.530 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.121 -3.022 10.602 1.00 1.00 H new ATOM 600 N THR A 41 7.334 6.631 -1.517 1.00 1.00 N ATOM 601 CA THR A 41 5.883 6.764 -1.430 1.00 1.00 C ATOM 602 C THR A 41 5.292 7.057 -2.805 1.00 1.00 C ATOM 603 O THR A 41 4.232 6.543 -3.158 1.00 1.00 O ATOM 604 CB THR A 41 5.509 7.881 -0.450 1.00 1.00 C ATOM 605 OG1 THR A 41 6.048 7.576 0.829 1.00 1.00 O ATOM 606 CG2 THR A 41 3.985 7.986 -0.338 1.00 1.00 C ATOM 0 HA THR A 41 5.472 5.823 -1.065 1.00 1.00 H new ATOM 0 HB THR A 41 5.911 8.828 -0.811 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.830 6.995 0.724 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.725 8.782 0.360 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.563 8.211 -1.317 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.581 7.040 0.023 1.00 1.00 H new ATOM 614 N VAL A 42 5.984 7.899 -3.571 1.00 1.00 N ATOM 615 CA VAL A 42 5.522 8.271 -4.906 1.00 1.00 C ATOM 616 C VAL A 42 5.377 7.031 -5.786 1.00 1.00 C ATOM 617 O VAL A 42 4.409 6.884 -6.524 1.00 1.00 O ATOM 618 CB VAL A 42 6.524 9.244 -5.547 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.256 10.675 -5.063 1.00 1.00 C ATOM 620 CG2 VAL A 42 7.951 8.848 -5.156 1.00 1.00 C ATOM 0 H VAL A 42 6.863 8.335 -3.291 1.00 1.00 H new ATOM 0 HA VAL A 42 4.549 8.754 -4.818 1.00 1.00 H new ATOM 0 HB VAL A 42 6.409 9.199 -6.630 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.972 11.355 -5.524 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.244 10.970 -5.342 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.361 10.718 -3.979 1.00 1.00 H new ATOM 0 HG21 VAL A 42 8.659 9.540 -5.612 1.00 1.00 H new ATOM 0 HG22 VAL A 42 8.055 8.885 -4.072 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.156 7.836 -5.505 1.00 1.00 H new ATOM 630 N GLU A 43 6.348 6.152 -5.713 1.00 1.00 N ATOM 631 CA GLU A 43 6.299 4.936 -6.505 1.00 1.00 C ATOM 632 C GLU A 43 5.239 3.984 -5.956 1.00 1.00 C ATOM 633 O GLU A 43 4.498 3.360 -6.717 1.00 1.00 O ATOM 634 CB GLU A 43 7.660 4.246 -6.495 1.00 1.00 C ATOM 635 CG GLU A 43 8.665 5.108 -7.256 1.00 1.00 C ATOM 636 CD GLU A 43 10.048 4.473 -7.193 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.156 3.386 -6.653 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.981 5.087 -7.687 1.00 1.00 O ATOM 0 H GLU A 43 7.174 6.249 -5.122 1.00 1.00 H new ATOM 0 HA GLU A 43 6.039 5.204 -7.529 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.996 4.094 -5.469 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.585 3.261 -6.956 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.352 5.215 -8.295 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.696 6.110 -6.827 1.00 1.00 H new ATOM 645 N ILE A 44 5.185 3.861 -4.631 1.00 1.00 N ATOM 646 CA ILE A 44 4.225 2.960 -3.991 1.00 1.00 C ATOM 647 C ILE A 44 2.791 3.455 -4.162 1.00 1.00 C ATOM 648 O ILE A 44 1.893 2.683 -4.495 1.00 1.00 O ATOM 649 CB ILE A 44 4.542 2.847 -2.492 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.912 2.160 -2.286 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.435 2.048 -1.781 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.786 0.633 -2.317 1.00 1.00 C ATOM 0 H ILE A 44 5.788 4.368 -3.984 1.00 1.00 H new ATOM 0 HA ILE A 44 4.312 1.985 -4.471 1.00 1.00 H new ATOM 0 HB ILE A 44 4.587 3.848 -2.064 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.603 2.485 -3.064 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.336 2.472 -1.332 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.666 1.972 -0.719 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.480 2.557 -1.909 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.374 1.048 -2.212 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.768 0.184 -2.169 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.114 0.307 -1.523 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.386 0.320 -3.281 1.00 1.00 H new ATOM 664 N VAL A 45 2.579 4.743 -3.917 1.00 1.00 N ATOM 665 CA VAL A 45 1.242 5.310 -4.027 1.00 1.00 C ATOM 666 C VAL A 45 0.736 5.209 -5.458 1.00 1.00 C ATOM 667 O VAL A 45 -0.424 4.873 -5.701 1.00 1.00 O ATOM 668 CB VAL A 45 1.265 6.781 -3.593 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.960 7.628 -4.661 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.163 7.278 -3.395 1.00 1.00 C ATOM 0 H VAL A 45 3.305 5.406 -3.645 1.00 1.00 H new ATOM 0 HA VAL A 45 0.572 4.748 -3.377 1.00 1.00 H new ATOM 0 HB VAL A 45 1.813 6.869 -2.655 1.00 1.00 H new ATOM 0 HG11 VAL A 45 1.973 8.672 -4.346 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.983 7.277 -4.795 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.420 7.540 -5.604 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.145 8.323 -3.087 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.714 7.185 -4.331 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.653 6.681 -2.625 1.00 1.00 H new ATOM 680 N MET A 46 1.615 5.518 -6.399 1.00 1.00 N ATOM 681 CA MET A 46 1.251 5.479 -7.805 1.00 1.00 C ATOM 682 C MET A 46 0.849 4.066 -8.213 1.00 1.00 C ATOM 683 O MET A 46 -0.094 3.879 -8.982 1.00 1.00 O ATOM 684 CB MET A 46 2.428 5.952 -8.661 1.00 1.00 C ATOM 685 CG MET A 46 1.948 6.245 -10.077 1.00 1.00 C ATOM 686 SD MET A 46 1.053 7.825 -10.096 1.00 1.00 S ATOM 687 CE MET A 46 -0.581 7.197 -10.567 1.00 1.00 C ATOM 0 H MET A 46 2.579 5.797 -6.216 1.00 1.00 H new ATOM 0 HA MET A 46 0.401 6.143 -7.963 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.871 6.847 -8.224 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.206 5.188 -8.681 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.797 6.287 -10.759 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.298 5.442 -10.426 1.00 1.00 H new ATOM 0 HE1 MET A 46 -1.333 7.962 -10.377 1.00 1.00 H new ATOM 0 HE2 MET A 46 -0.581 6.942 -11.627 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.812 6.308 -9.980 1.00 1.00 H new ATOM 697 N ASN A 47 1.565 3.073 -7.696 1.00 1.00 N ATOM 698 CA ASN A 47 1.270 1.685 -8.018 1.00 1.00 C ATOM 699 C ASN A 47 -0.129 1.306 -7.527 1.00 1.00 C ATOM 700 O ASN A 47 -0.890 0.654 -8.243 1.00 1.00 O ATOM 701 CB ASN A 47 2.319 0.783 -7.354 1.00 1.00 C ATOM 702 CG ASN A 47 3.611 0.786 -8.167 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.692 0.991 -7.618 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.559 0.566 -9.452 1.00 1.00 N ATOM 0 H ASN A 47 2.349 3.204 -7.056 1.00 1.00 H new ATOM 0 HA ASN A 47 1.301 1.554 -9.100 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.518 1.131 -6.340 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.935 -0.234 -7.272 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.417 0.564 -10.004 1.00 1.00 H new ATOM 0 HD22 ASN A 47 2.661 0.396 -9.904 1.00 1.00 H new ATOM 711 N LEU A 48 -0.462 1.716 -6.310 1.00 1.00 N ATOM 712 CA LEU A 48 -1.772 1.407 -5.743 1.00 1.00 C ATOM 713 C LEU A 48 -2.879 2.092 -6.533 1.00 1.00 C ATOM 714 O LEU A 48 -3.908 1.487 -6.836 1.00 1.00 O ATOM 715 CB LEU A 48 -1.818 1.881 -4.291 1.00 1.00 C ATOM 716 CG LEU A 48 -0.865 1.020 -3.448 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.501 1.756 -2.162 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.540 -0.290 -3.059 1.00 1.00 C ATOM 0 H LEU A 48 0.149 2.259 -5.700 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.927 0.329 -5.791 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.530 2.930 -4.229 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.834 1.806 -3.903 1.00 1.00 H new ATOM 0 HG LEU A 48 0.027 0.822 -4.042 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.175 1.140 -1.569 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.011 2.698 -2.408 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.406 1.956 -1.589 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.853 -0.890 -2.462 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -2.437 -0.078 -2.477 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.813 -0.840 -3.960 1.00 1.00 H new ATOM 730 N GLU A 49 -2.658 3.359 -6.859 1.00 1.00 N ATOM 731 CA GLU A 49 -3.640 4.126 -7.609 1.00 1.00 C ATOM 732 C GLU A 49 -3.788 3.555 -9.016 1.00 1.00 C ATOM 733 O GLU A 49 -4.894 3.476 -9.551 1.00 1.00 O ATOM 734 CB GLU A 49 -3.208 5.592 -7.690 1.00 1.00 C ATOM 735 CG GLU A 49 -4.341 6.425 -8.292 1.00 1.00 C ATOM 736 CD GLU A 49 -3.898 7.875 -8.457 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.896 8.240 -7.867 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.570 8.599 -9.174 1.00 1.00 O ATOM 0 H GLU A 49 -1.811 3.874 -6.617 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.600 4.063 -7.096 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.957 5.964 -6.697 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.310 5.684 -8.301 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.631 6.013 -9.259 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.219 6.376 -7.649 1.00 1.00 H new ATOM 745 N GLU A 50 -2.664 3.162 -9.608 1.00 1.00 N ATOM 746 CA GLU A 50 -2.676 2.599 -10.953 1.00 1.00 C ATOM 747 C GLU A 50 -3.296 1.204 -10.952 1.00 1.00 C ATOM 748 O GLU A 50 -4.090 0.869 -11.830 1.00 1.00 O ATOM 749 CB GLU A 50 -1.250 2.527 -11.505 1.00 1.00 C ATOM 750 CG GLU A 50 -1.287 2.052 -12.960 1.00 1.00 C ATOM 751 CD GLU A 50 0.121 2.047 -13.544 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.060 2.189 -12.778 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.241 1.900 -14.750 1.00 1.00 O ATOM 0 H GLU A 50 -1.740 3.223 -9.181 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.279 3.248 -11.588 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.775 3.506 -11.443 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.650 1.844 -10.904 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.715 1.051 -13.013 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.931 2.706 -13.548 1.00 1.00 H new ATOM 760 N GLU A 51 -2.923 0.390 -9.966 1.00 1.00 N ATOM 761 CA GLU A 51 -3.446 -0.969 -9.873 1.00 1.00 C ATOM 762 C GLU A 51 -4.955 -0.951 -9.635 1.00 1.00 C ATOM 763 O GLU A 51 -5.702 -1.675 -10.292 1.00 1.00 O ATOM 764 CB GLU A 51 -2.758 -1.709 -8.726 1.00 1.00 C ATOM 765 CG GLU A 51 -3.192 -3.176 -8.731 1.00 1.00 C ATOM 766 CD GLU A 51 -2.521 -3.919 -7.586 1.00 1.00 C ATOM 767 OE1 GLU A 51 -2.637 -3.458 -6.465 1.00 1.00 O ATOM 768 OE2 GLU A 51 -1.905 -4.940 -7.846 1.00 1.00 O ATOM 0 H GLU A 51 -2.267 0.646 -9.228 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.246 -1.482 -10.814 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.675 -1.639 -8.832 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.016 -1.246 -7.774 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -4.276 -3.244 -8.634 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.927 -3.639 -9.681 1.00 1.00 H new ATOM 775 N PHE A 52 -5.392 -0.117 -8.695 1.00 1.00 N ATOM 776 CA PHE A 52 -6.815 -0.008 -8.379 1.00 1.00 C ATOM 777 C PHE A 52 -7.490 1.005 -9.297 1.00 1.00 C ATOM 778 O PHE A 52 -8.715 1.103 -9.337 1.00 1.00 O ATOM 779 CB PHE A 52 -6.982 0.412 -6.915 1.00 1.00 C ATOM 780 CG PHE A 52 -6.737 -0.783 -6.020 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.676 -1.822 -5.971 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.577 -0.852 -5.241 1.00 1.00 C ATOM 783 CE1 PHE A 52 -7.454 -2.926 -5.143 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.360 -1.957 -4.410 1.00 1.00 C ATOM 785 CZ PHE A 52 -6.303 -2.988 -4.363 1.00 1.00 C ATOM 0 H PHE A 52 -4.787 0.490 -8.142 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.288 -0.978 -8.533 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.282 1.212 -6.672 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.985 0.805 -6.750 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.571 -1.770 -6.573 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.850 -0.054 -5.281 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -8.175 -3.730 -5.109 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.466 -2.013 -3.806 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.137 -3.838 -3.717 1.00 1.00 H new ATOM 795 N GLY A 53 -6.684 1.749 -10.048 1.00 1.00 N ATOM 796 CA GLY A 53 -7.220 2.739 -10.974 1.00 1.00 C ATOM 797 C GLY A 53 -8.107 3.746 -10.247 1.00 1.00 C ATOM 798 O GLY A 53 -9.152 4.150 -10.758 1.00 1.00 O ATOM 0 H GLY A 53 -5.666 1.686 -10.034 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.400 3.261 -11.468 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.795 2.239 -11.753 1.00 1.00 H new ATOM 802 N ILE A 54 -7.684 4.146 -9.047 1.00 1.00 N ATOM 803 CA ILE A 54 -8.443 5.110 -8.247 1.00 1.00 C ATOM 804 C ILE A 54 -7.734 6.462 -8.238 1.00 1.00 C ATOM 805 O ILE A 54 -6.933 6.756 -9.127 1.00 1.00 O ATOM 806 CB ILE A 54 -8.603 4.584 -6.812 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.217 4.290 -6.214 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.452 3.311 -6.830 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.322 3.951 -4.726 1.00 1.00 C ATOM 0 H ILE A 54 -6.823 3.819 -8.608 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.431 5.239 -8.689 1.00 1.00 H new ATOM 0 HB ILE A 54 -9.100 5.335 -6.198 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.755 3.459 -6.748 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.568 5.155 -6.348 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.567 2.936 -5.813 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.434 3.534 -7.248 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.961 2.555 -7.442 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.328 3.747 -4.328 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.761 4.793 -4.191 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.952 3.071 -4.597 1.00 1.00 H new ATOM 821 N ASN A 55 -8.031 7.282 -7.230 1.00 1.00 N ATOM 822 CA ASN A 55 -7.418 8.601 -7.101 1.00 1.00 C ATOM 823 C ASN A 55 -6.917 8.798 -5.677 1.00 1.00 C ATOM 824 O ASN A 55 -7.701 8.784 -4.727 1.00 1.00 O ATOM 825 CB ASN A 55 -8.444 9.685 -7.436 1.00 1.00 C ATOM 826 CG ASN A 55 -9.535 9.728 -6.368 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.022 8.612 -5.901 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -9.947 10.807 -5.945 1.00 1.00 N flip ATOM 0 H ASN A 55 -8.694 7.054 -6.490 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.579 8.673 -7.793 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.951 10.655 -7.501 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.888 9.487 -8.412 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -9.564 11.678 -6.312 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -10.671 10.830 -5.227 1.00 1.00 H new ATOM 835 N VAL A 56 -5.606 8.981 -5.533 1.00 1.00 N ATOM 836 CA VAL A 56 -4.997 9.181 -4.219 1.00 1.00 C ATOM 837 C VAL A 56 -4.265 10.518 -4.180 1.00 1.00 C ATOM 838 O VAL A 56 -3.474 10.835 -5.071 1.00 1.00 O ATOM 839 CB VAL A 56 -4.006 8.045 -3.920 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.194 8.382 -2.660 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.773 6.729 -3.712 1.00 1.00 C ATOM 0 H VAL A 56 -4.945 8.995 -6.310 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.784 9.180 -3.465 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.324 7.931 -4.763 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.493 7.574 -2.452 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.643 9.309 -2.820 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -3.870 8.503 -1.813 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -4.067 5.926 -3.500 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.461 6.838 -2.874 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.335 6.489 -4.614 1.00 1.00 H new ATOM 851 N ASP A 57 -4.528 11.295 -3.133 1.00 1.00 N ATOM 852 CA ASP A 57 -3.889 12.597 -2.962 1.00 1.00 C ATOM 853 C ASP A 57 -2.635 12.463 -2.108 1.00 1.00 C ATOM 854 O ASP A 57 -2.541 11.574 -1.261 1.00 1.00 O ATOM 855 CB ASP A 57 -4.863 13.573 -2.297 1.00 1.00 C ATOM 856 CG ASP A 57 -5.978 13.937 -3.274 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.837 13.622 -4.445 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.950 14.529 -2.839 1.00 1.00 O ATOM 0 H ASP A 57 -5.180 11.046 -2.389 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.609 12.979 -3.944 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.286 13.123 -1.399 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.333 14.473 -1.984 1.00 1.00 H new ATOM 863 N GLU A 58 -1.674 13.349 -2.335 1.00 1.00 N ATOM 864 CA GLU A 58 -0.427 13.320 -1.582 1.00 1.00 C ATOM 865 C GLU A 58 -0.702 13.501 -0.093 1.00 1.00 C ATOM 866 O GLU A 58 -0.028 12.906 0.749 1.00 1.00 O ATOM 867 CB GLU A 58 0.495 14.442 -2.069 1.00 1.00 C ATOM 868 CG GLU A 58 0.881 14.196 -3.531 1.00 1.00 C ATOM 869 CD GLU A 58 1.725 12.932 -3.647 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.284 12.524 -2.641 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.797 12.388 -4.736 1.00 1.00 O ATOM 0 H GLU A 58 -1.733 14.093 -3.031 1.00 1.00 H new ATOM 0 HA GLU A 58 0.054 12.355 -1.739 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.006 15.405 -1.972 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.390 14.485 -1.449 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.017 14.099 -4.141 1.00 1.00 H new ATOM 0 HG3 GLU A 58 1.437 15.050 -3.917 1.00 1.00 H new ATOM 878 N ASP A 59 -1.693 14.324 0.224 1.00 1.00 N ATOM 879 CA ASP A 59 -2.045 14.574 1.616 1.00 1.00 C ATOM 880 C ASP A 59 -2.651 13.328 2.243 1.00 1.00 C ATOM 881 O ASP A 59 -2.701 13.197 3.466 1.00 1.00 O ATOM 882 CB ASP A 59 -3.047 15.725 1.705 1.00 1.00 C ATOM 883 CG ASP A 59 -2.363 17.037 1.339 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.146 17.054 1.292 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.069 18.005 1.109 1.00 1.00 O ATOM 0 H ASP A 59 -2.263 14.826 -0.457 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.137 14.840 2.158 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.885 15.542 1.033 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.455 15.786 2.714 1.00 1.00 H new ATOM 890 N LYS A 60 -3.115 12.414 1.399 1.00 1.00 N ATOM 891 CA LYS A 60 -3.718 11.174 1.878 1.00 1.00 C ATOM 892 C LYS A 60 -2.666 10.081 2.000 1.00 1.00 C ATOM 893 O LYS A 60 -2.783 9.186 2.831 1.00 1.00 O ATOM 894 CB LYS A 60 -4.822 10.713 0.915 1.00 1.00 C ATOM 895 CG LYS A 60 -5.752 9.705 1.619 1.00 1.00 C ATOM 896 CD LYS A 60 -6.862 10.447 2.370 1.00 1.00 C ATOM 897 CE LYS A 60 -7.805 9.435 3.019 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.882 10.167 3.739 1.00 1.00 N ATOM 0 H LYS A 60 -3.086 12.506 0.384 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.151 11.364 2.860 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.398 11.572 0.571 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.377 10.254 0.032 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.189 9.028 0.885 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -5.178 9.093 2.315 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.429 11.096 3.131 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.416 11.087 1.683 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.236 8.782 2.260 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -7.255 8.798 3.712 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.528 9.484 4.184 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.460 10.772 4.472 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.411 10.757 3.065 1.00 1.00 H new ATOM 912 N ALA A 61 -1.640 10.156 1.156 1.00 1.00 N ATOM 913 CA ALA A 61 -0.567 9.159 1.164 1.00 1.00 C ATOM 914 C ALA A 61 0.722 9.762 1.705 1.00 1.00 C ATOM 915 O ALA A 61 1.783 9.598 1.113 1.00 1.00 O ATOM 916 CB ALA A 61 -0.329 8.638 -0.253 1.00 1.00 C ATOM 0 H ALA A 61 -1.527 10.893 0.460 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.869 8.335 1.810 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.470 7.897 -0.239 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.243 8.179 -0.630 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -0.045 9.466 -0.902 1.00 1.00 H new ATOM 922 N GLN A 62 0.621 10.464 2.832 1.00 1.00 N ATOM 923 CA GLN A 62 1.790 11.094 3.456 1.00 1.00 C ATOM 924 C GLN A 62 2.038 10.519 4.848 1.00 1.00 C ATOM 925 O GLN A 62 3.182 10.418 5.294 1.00 1.00 O ATOM 926 CB GLN A 62 1.575 12.606 3.560 1.00 1.00 C ATOM 927 CG GLN A 62 0.314 12.890 4.375 1.00 1.00 C ATOM 928 CD GLN A 62 0.081 14.395 4.463 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.672 15.160 3.703 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.749 14.867 5.352 1.00 1.00 N ATOM 0 H GLN A 62 -0.255 10.613 3.333 1.00 1.00 H new ATOM 0 HA GLN A 62 2.661 10.890 2.833 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.438 13.075 4.032 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.482 13.040 2.564 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.546 12.407 3.911 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.415 12.470 5.376 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.238 14.231 5.981 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -0.909 15.872 5.418 1.00 1.00 H new ATOM 939 N ASP A 63 0.957 10.157 5.537 1.00 1.00 N ATOM 940 CA ASP A 63 1.058 9.605 6.891 1.00 1.00 C ATOM 941 C ASP A 63 0.083 8.443 7.083 1.00 1.00 C ATOM 942 O ASP A 63 -0.707 8.433 8.028 1.00 1.00 O ATOM 943 CB ASP A 63 0.752 10.696 7.919 1.00 1.00 C ATOM 944 CG ASP A 63 0.992 10.164 9.327 1.00 1.00 C ATOM 945 OD1 ASP A 63 1.257 8.981 9.455 1.00 1.00 O ATOM 946 OD2 ASP A 63 0.904 10.948 10.257 1.00 1.00 O ATOM 0 H ASP A 63 0.003 10.235 5.183 1.00 1.00 H new ATOM 0 HA ASP A 63 2.074 9.236 7.033 1.00 1.00 H new ATOM 0 HB2 ASP A 63 1.383 11.566 7.737 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -0.282 11.025 7.816 1.00 1.00 H new ATOM 951 N ILE A 64 0.155 7.463 6.186 1.00 1.00 N ATOM 952 CA ILE A 64 -0.716 6.291 6.264 1.00 1.00 C ATOM 953 C ILE A 64 -0.075 5.203 7.112 1.00 1.00 C ATOM 954 O ILE A 64 1.078 4.821 6.897 1.00 1.00 O ATOM 955 CB ILE A 64 -0.996 5.757 4.861 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.745 6.823 4.044 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.830 4.480 4.945 1.00 1.00 C ATOM 958 CD1 ILE A 64 -3.116 7.173 4.669 1.00 1.00 C ATOM 0 H ILE A 64 0.804 7.456 5.399 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.655 6.588 6.731 1.00 1.00 H new ATOM 0 HB ILE A 64 -0.051 5.527 4.369 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -1.136 7.724 3.978 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.892 6.463 3.026 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -2.025 4.106 3.940 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.285 3.726 5.513 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.776 4.695 5.442 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.611 7.930 4.060 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.736 6.278 4.710 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.968 7.559 5.678 1.00 1.00 H new ATOM 970 N SER A 65 -0.842 4.707 8.069 1.00 1.00 N ATOM 971 CA SER A 65 -0.367 3.655 8.954 1.00 1.00 C ATOM 972 C SER A 65 0.069 2.454 8.126 1.00 1.00 C ATOM 973 O SER A 65 0.171 2.535 6.901 1.00 1.00 O ATOM 974 CB SER A 65 -1.471 3.242 9.946 1.00 1.00 C ATOM 975 OG SER A 65 -1.975 1.960 9.595 1.00 1.00 O ATOM 0 H SER A 65 -1.797 5.016 8.253 1.00 1.00 H new ATOM 0 HA SER A 65 0.483 4.030 9.525 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.073 3.222 10.960 1.00 1.00 H new ATOM 0 HB3 SER A 65 -2.277 3.976 9.935 1.00 1.00 H new ATOM 0 HG SER A 65 -2.423 1.561 10.370 1.00 1.00 H new ATOM 981 N THR A 66 0.337 1.349 8.808 1.00 1.00 N ATOM 982 CA THR A 66 0.764 0.123 8.145 1.00 1.00 C ATOM 983 C THR A 66 -0.160 -0.209 6.977 1.00 1.00 C ATOM 984 O THR A 66 -1.041 0.572 6.623 1.00 1.00 O ATOM 985 CB THR A 66 0.750 -1.038 9.148 1.00 1.00 C ATOM 986 OG1 THR A 66 1.240 -2.208 8.517 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.673 -1.323 9.648 1.00 1.00 C ATOM 0 H THR A 66 0.266 1.276 9.823 1.00 1.00 H new ATOM 0 HA THR A 66 1.774 0.271 7.763 1.00 1.00 H new ATOM 0 HB THR A 66 1.377 -0.759 9.995 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.505 -2.844 8.392 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.651 -2.151 10.357 1.00 1.00 H new ATOM 0 HG22 THR A 66 -1.071 -0.435 10.139 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.310 -1.586 8.803 1.00 1.00 H new ATOM 995 N ILE A 67 0.047 -1.376 6.383 1.00 1.00 N ATOM 996 CA ILE A 67 -0.771 -1.800 5.253 1.00 1.00 C ATOM 997 C ILE A 67 -2.242 -1.931 5.654 1.00 1.00 C ATOM 998 O ILE A 67 -3.131 -1.826 4.810 1.00 1.00 O ATOM 999 CB ILE A 67 -0.261 -3.139 4.714 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.135 -2.941 4.106 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.230 -3.679 3.652 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.793 -4.307 3.899 1.00 1.00 C ATOM 0 H ILE A 67 0.768 -2.042 6.661 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.695 -1.040 4.475 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.200 -3.861 5.528 1.00 1.00 H new ATOM 0 HG12 ILE A 67 1.059 -2.413 3.155 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.747 -2.325 4.765 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -0.860 -4.632 3.273 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.214 -3.823 4.097 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.304 -2.966 2.831 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.785 -4.172 3.467 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.881 -4.817 4.858 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.182 -4.906 3.224 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.494 -2.172 6.936 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.866 -2.326 7.413 1.00 1.00 C ATOM 1016 C GLN A 68 -4.700 -1.084 7.097 1.00 1.00 C ATOM 1017 O GLN A 68 -5.789 -1.187 6.536 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.856 -2.564 8.925 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.243 -3.934 9.233 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.277 -5.029 8.990 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -4.531 -5.419 7.771 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -4.892 -5.521 9.935 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.778 -2.264 7.656 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.314 -3.179 6.904 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.284 -1.780 9.422 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.872 -2.514 9.317 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.368 -4.101 8.604 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.902 -3.966 10.268 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.693 -5.216 10.888 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.601 -6.234 9.766 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.186 0.089 7.456 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.895 1.329 7.202 1.00 1.00 C ATOM 1033 C GLN A 69 -4.920 1.646 5.712 1.00 1.00 C ATOM 1034 O GLN A 69 -5.918 2.136 5.186 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.214 2.464 7.955 1.00 1.00 C ATOM 1036 CG GLN A 69 -5.015 3.733 7.767 1.00 1.00 C ATOM 1037 CD GLN A 69 -4.495 4.830 8.688 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -4.495 4.670 9.910 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -4.036 5.937 8.175 1.00 1.00 N ATOM 0 H GLN A 69 -3.285 0.202 7.921 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.923 1.219 7.547 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -4.139 2.220 9.015 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -3.197 2.603 7.587 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -4.952 4.060 6.729 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -6.067 3.541 7.977 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.036 6.069 7.164 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.677 6.671 8.785 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.812 1.369 5.038 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.718 1.642 3.608 1.00 1.00 C ATOM 1050 C ALA A 70 -4.820 0.917 2.848 1.00 1.00 C ATOM 1051 O ALA A 70 -5.430 1.478 1.936 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.357 1.194 3.077 1.00 1.00 C ATOM 0 H ALA A 70 -2.974 0.960 5.451 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.833 2.716 3.458 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.297 1.402 2.009 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.567 1.736 3.597 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.235 0.124 3.246 1.00 1.00 H new ATOM 1058 N ALA A 71 -5.075 -0.325 3.226 1.00 1.00 N ATOM 1059 CA ALA A 71 -6.110 -1.109 2.567 1.00 1.00 C ATOM 1060 C ALA A 71 -7.479 -0.478 2.791 1.00 1.00 C ATOM 1061 O ALA A 71 -8.311 -0.434 1.885 1.00 1.00 O ATOM 1062 CB ALA A 71 -6.105 -2.528 3.122 1.00 1.00 C ATOM 0 H ALA A 71 -4.586 -0.810 3.978 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.905 -1.133 1.497 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.880 -3.114 2.628 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.133 -2.986 2.941 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.299 -2.500 4.194 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.707 0.009 4.006 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.978 0.637 4.338 1.00 1.00 C ATOM 1070 C ASP A 72 -9.165 1.924 3.541 1.00 1.00 C ATOM 1071 O ASP A 72 -10.259 2.211 3.057 1.00 1.00 O ATOM 1072 CB ASP A 72 -9.035 0.954 5.834 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.366 1.618 6.176 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -11.381 0.945 6.096 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.350 2.790 6.515 1.00 1.00 O ATOM 0 H ASP A 72 -7.033 -0.019 4.771 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.778 -0.058 4.083 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.917 0.038 6.413 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.210 1.612 6.106 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.090 2.699 3.414 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.152 3.959 2.678 1.00 1.00 C ATOM 1082 C VAL A 73 -8.516 3.705 1.215 1.00 1.00 C ATOM 1083 O VAL A 73 -9.348 4.407 0.643 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.808 4.689 2.768 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.838 5.940 1.884 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.545 5.099 4.222 1.00 1.00 C ATOM 0 H VAL A 73 -7.175 2.480 3.807 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.924 4.585 3.125 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.015 4.024 2.426 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.880 6.456 1.951 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -7.022 5.650 0.850 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.633 6.605 2.222 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.589 5.618 4.286 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.341 5.761 4.563 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.518 4.210 4.852 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.891 2.697 0.618 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.164 2.359 -0.778 1.00 1.00 C ATOM 1098 C ILE A 74 -9.619 1.946 -0.959 1.00 1.00 C ATOM 1099 O ILE A 74 -10.275 2.357 -1.915 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.238 1.217 -1.221 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.804 1.743 -1.325 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.695 0.650 -2.570 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.816 0.580 -1.347 1.00 1.00 C ATOM 0 H ILE A 74 -7.197 2.103 1.072 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.978 3.239 -1.393 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.278 0.415 -0.484 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.693 2.341 -2.230 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.587 2.398 -0.481 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.028 -0.158 -2.870 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.711 0.267 -2.478 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.671 1.438 -3.323 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.800 0.967 -1.421 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.917 -0.001 -0.430 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.025 -0.058 -2.206 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.117 1.127 -0.045 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.495 0.665 -0.127 1.00 1.00 C ATOM 1117 C GLU A 75 -12.445 1.851 -0.227 1.00 1.00 C ATOM 1118 O GLU A 75 -13.476 1.778 -0.897 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.826 -0.186 1.099 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.165 -1.559 0.948 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.925 -2.387 -0.083 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -13.110 -2.600 0.114 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.315 -2.791 -1.058 1.00 1.00 O ATOM 0 H GLU A 75 -9.594 0.771 0.755 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.615 0.055 -1.023 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.471 0.305 2.005 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.906 -0.297 1.199 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.126 -1.441 0.639 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -11.155 -2.076 1.908 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.088 2.944 0.432 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.911 4.146 0.397 1.00 1.00 C ATOM 1132 C GLY A 76 -12.763 4.865 -0.937 1.00 1.00 C ATOM 1133 O GLY A 76 -13.656 5.596 -1.359 1.00 1.00 O ATOM 0 H GLY A 76 -11.240 3.024 0.994 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.956 3.881 0.558 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.622 4.814 1.209 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.623 4.656 -1.592 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.358 5.296 -2.878 1.00 1.00 C ATOM 1139 C LEU A 77 -11.917 4.465 -4.023 1.00 1.00 C ATOM 1140 O LEU A 77 -11.966 4.917 -5.165 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.850 5.485 -3.061 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.342 6.548 -2.076 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.812 6.529 -2.067 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.836 7.950 -2.493 1.00 1.00 C ATOM 0 H LEU A 77 -10.872 4.052 -1.256 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.851 6.268 -2.887 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.332 4.541 -2.893 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.633 5.790 -4.085 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.726 6.324 -1.081 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.443 7.281 -1.370 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.462 5.544 -1.757 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.440 6.748 -3.068 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.467 8.691 -1.784 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.464 8.185 -3.490 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.926 7.965 -2.499 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.347 3.252 -3.705 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.913 2.357 -4.710 1.00 1.00 C ATOM 1158 C LEU A 78 -14.430 2.501 -4.764 1.00 1.00 C ATOM 1159 O LEU A 78 -15.066 2.093 -5.734 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.543 0.907 -4.372 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.108 0.586 -4.822 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.622 -0.691 -4.125 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -11.055 0.364 -6.343 1.00 1.00 C ATOM 0 H LEU A 78 -12.316 2.864 -2.762 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.504 2.622 -5.685 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.636 0.745 -3.298 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.242 0.227 -4.859 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.470 1.429 -4.557 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.605 -0.916 -4.446 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.638 -0.545 -3.045 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.277 -1.521 -4.388 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -10.032 0.138 -6.642 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.704 -0.469 -6.612 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.392 1.266 -6.854 1.00 1.00 H new ATOM 1175 N GLU A 79 -15.003 3.069 -3.718 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.444 3.235 -3.667 1.00 1.00 C ATOM 1177 C GLU A 79 -16.941 3.913 -4.931 1.00 1.00 C ATOM 1178 O GLU A 79 -17.826 3.404 -5.620 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.810 4.101 -2.470 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.337 3.413 -1.201 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.699 4.243 0.026 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.299 5.293 -0.145 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.371 3.817 1.121 1.00 1.00 O ATOM 0 H GLU A 79 -14.500 3.419 -2.902 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.907 2.252 -3.578 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.348 5.084 -2.561 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.888 4.258 -2.434 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.791 2.425 -1.125 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.258 3.265 -1.241 1.00 1.00 H new