USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -135:sc= -2.02 (180deg=-6!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -2.86 USER MOD Single : A 20 HIS : no HD1:sc= -5.83! C(o=-5.8!,f=-6.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0835 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.111 USER MOD Single : A 87 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 13.114 4.708 -7.671 1.00 0.00 N ATOM 37 CA MET A 1 11.732 4.277 -7.797 1.00 0.00 C ATOM 38 C MET A 1 11.202 4.539 -9.208 1.00 0.00 C ATOM 39 O MET A 1 10.609 5.585 -9.468 1.00 0.00 O ATOM 40 CB MET A 1 10.869 5.028 -6.780 1.00 0.00 C ATOM 41 CG MET A 1 9.411 4.570 -6.855 1.00 0.00 C ATOM 42 SD MET A 1 8.763 4.322 -5.211 1.00 0.00 S ATOM 43 CE MET A 1 9.072 2.575 -5.017 1.00 0.00 C ATOM 0 H1 MET A 1 13.450 4.519 -6.705 1.00 0.00 H new ATOM 0 H2 MET A 1 13.704 4.186 -8.351 1.00 0.00 H new ATOM 0 H3 MET A 1 13.179 5.727 -7.867 1.00 0.00 H new ATOM 0 HA MET A 1 11.686 3.205 -7.606 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.256 4.860 -5.775 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.928 6.100 -6.969 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.814 5.315 -7.381 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.341 3.644 -7.426 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.191 2.095 -4.592 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.292 2.134 -5.989 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.922 2.428 -4.351 1.00 0.00 H new ATOM 53 N ASP A 2 11.435 3.571 -10.082 1.00 0.00 N ATOM 54 CA ASP A 2 10.989 3.684 -11.460 1.00 0.00 C ATOM 55 C ASP A 2 9.673 2.922 -11.630 1.00 0.00 C ATOM 56 O ASP A 2 9.389 1.992 -10.876 1.00 0.00 O ATOM 57 CB ASP A 2 12.013 3.077 -12.422 1.00 0.00 C ATOM 58 CG ASP A 2 13.417 3.680 -12.336 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.496 4.924 -12.244 1.00 0.00 O ATOM 60 OD2 ASP A 2 14.379 2.883 -12.365 1.00 0.00 O ATOM 0 H ASP A 2 11.927 2.705 -9.863 1.00 0.00 H new ATOM 0 HA ASP A 2 10.863 4.743 -11.687 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.081 2.006 -12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.645 3.194 -13.441 1.00 0.00 H new ATOM 65 N LEU A 3 8.905 3.345 -12.623 1.00 0.00 N ATOM 66 CA LEU A 3 7.626 2.714 -12.901 1.00 0.00 C ATOM 67 C LEU A 3 7.833 1.210 -13.086 1.00 0.00 C ATOM 68 O LEU A 3 7.090 0.404 -12.528 1.00 0.00 O ATOM 69 CB LEU A 3 6.942 3.391 -14.090 1.00 0.00 C ATOM 70 CG LEU A 3 6.006 4.554 -13.752 1.00 0.00 C ATOM 71 CD1 LEU A 3 4.634 4.041 -13.308 1.00 0.00 C ATOM 72 CD2 LEU A 3 6.636 5.481 -12.711 1.00 0.00 C ATOM 0 H LEU A 3 9.144 4.117 -13.245 1.00 0.00 H new ATOM 0 HA LEU A 3 6.948 2.841 -12.057 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.713 3.757 -14.768 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.372 2.637 -14.633 1.00 0.00 H new ATOM 0 HG LEU A 3 5.853 5.143 -14.656 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.988 4.887 -13.074 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.187 3.455 -14.111 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.748 3.416 -12.423 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.950 6.299 -12.489 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.838 4.920 -11.799 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.569 5.886 -13.102 1.00 0.00 H new ATOM 84 N GLU A 4 8.847 0.877 -13.871 1.00 0.00 N ATOM 85 CA GLU A 4 9.162 -0.517 -14.137 1.00 0.00 C ATOM 86 C GLU A 4 9.480 -1.247 -12.830 1.00 0.00 C ATOM 87 O GLU A 4 9.108 -2.407 -12.657 1.00 0.00 O ATOM 88 CB GLU A 4 10.320 -0.638 -15.129 1.00 0.00 C ATOM 89 CG GLU A 4 9.850 -0.354 -16.557 1.00 0.00 C ATOM 90 CD GLU A 4 11.002 -0.506 -17.553 1.00 0.00 C ATOM 91 OE1 GLU A 4 11.757 0.479 -17.702 1.00 0.00 O ATOM 92 OE2 GLU A 4 11.101 -1.603 -18.143 1.00 0.00 O ATOM 0 H GLU A 4 9.461 1.548 -14.332 1.00 0.00 H new ATOM 0 HA GLU A 4 8.289 -0.987 -14.590 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.111 0.061 -14.857 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.747 -1.640 -15.075 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.043 -1.038 -16.821 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.444 0.656 -16.616 1.00 0.00 H new ATOM 99 N THR A 5 10.165 -0.539 -11.945 1.00 0.00 N ATOM 100 CA THR A 5 10.538 -1.105 -10.660 1.00 0.00 C ATOM 101 C THR A 5 9.329 -1.141 -9.722 1.00 0.00 C ATOM 102 O THR A 5 9.230 -2.016 -8.865 1.00 0.00 O ATOM 103 CB THR A 5 11.711 -0.294 -10.108 1.00 0.00 C ATOM 104 OG1 THR A 5 12.843 -0.794 -10.816 1.00 0.00 O ATOM 105 CG2 THR A 5 12.013 -0.622 -8.644 1.00 0.00 C ATOM 0 H THR A 5 10.472 0.423 -12.092 1.00 0.00 H new ATOM 0 HA THR A 5 10.861 -2.141 -10.763 1.00 0.00 H new ATOM 0 HB THR A 5 11.493 0.770 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.649 -0.321 -10.521 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.854 -0.019 -8.302 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.137 -0.402 -8.034 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.263 -1.679 -8.552 1.00 0.00 H new ATOM 113 N LEU A 6 8.441 -0.177 -9.918 1.00 0.00 N ATOM 114 CA LEU A 6 7.243 -0.087 -9.100 1.00 0.00 C ATOM 115 C LEU A 6 6.494 -1.420 -9.152 1.00 0.00 C ATOM 116 O LEU A 6 5.964 -1.878 -8.140 1.00 0.00 O ATOM 117 CB LEU A 6 6.393 1.112 -9.525 1.00 0.00 C ATOM 118 CG LEU A 6 6.583 2.392 -8.708 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.639 2.083 -7.211 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.815 3.166 -9.180 1.00 0.00 C ATOM 0 H LEU A 6 8.527 0.548 -10.631 1.00 0.00 H new ATOM 0 HA LEU A 6 7.506 0.091 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.612 1.335 -10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.343 0.824 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 6 5.717 3.034 -8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.775 3.010 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.708 1.607 -6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.474 1.412 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.927 4.071 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.702 2.543 -9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.695 3.436 -10.229 1.00 0.00 H new ATOM 132 N ARG A 7 6.474 -2.006 -10.340 1.00 0.00 N ATOM 133 CA ARG A 7 5.799 -3.278 -10.536 1.00 0.00 C ATOM 134 C ARG A 7 6.620 -4.415 -9.923 1.00 0.00 C ATOM 135 O ARG A 7 6.066 -5.312 -9.289 1.00 0.00 O ATOM 136 CB ARG A 7 5.580 -3.561 -12.024 1.00 0.00 C ATOM 137 CG ARG A 7 5.451 -2.259 -12.817 1.00 0.00 C ATOM 138 CD ARG A 7 4.591 -1.242 -12.064 1.00 0.00 C ATOM 139 NE ARG A 7 3.531 -0.718 -12.954 1.00 0.00 N ATOM 140 CZ ARG A 7 2.445 -0.062 -12.523 1.00 0.00 C ATOM 141 NH1 ARG A 7 2.268 0.154 -11.212 1.00 0.00 N ATOM 142 NH2 ARG A 7 1.534 0.377 -13.403 1.00 0.00 N ATOM 0 H ARG A 7 6.914 -1.624 -11.177 1.00 0.00 H new ATOM 0 HA ARG A 7 4.829 -3.219 -10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.413 -4.147 -12.413 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.680 -4.161 -12.155 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.441 -1.840 -12.999 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.008 -2.465 -13.791 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.143 -1.710 -11.188 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.213 -0.423 -11.704 1.00 0.00 H new ATOM 0 HE ARG A 7 3.634 -0.865 -13.958 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.960 -0.181 -10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.441 0.653 -10.884 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.668 0.212 -14.401 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.707 0.876 -13.075 1.00 0.00 H new ATOM 156 N ALA A 8 7.926 -4.339 -10.133 1.00 0.00 N ATOM 157 CA ALA A 8 8.827 -5.351 -9.609 1.00 0.00 C ATOM 158 C ALA A 8 8.684 -5.416 -8.087 1.00 0.00 C ATOM 159 O ALA A 8 8.471 -6.489 -7.525 1.00 0.00 O ATOM 160 CB ALA A 8 10.259 -5.035 -10.047 1.00 0.00 C ATOM 0 H ALA A 8 8.381 -3.593 -10.659 1.00 0.00 H new ATOM 0 HA ALA A 8 8.573 -6.334 -10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.936 -5.794 -9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.314 -5.029 -11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.549 -4.057 -9.664 1.00 0.00 H new ATOM 166 N ARG A 9 8.807 -4.254 -7.463 1.00 0.00 N ATOM 167 CA ARG A 9 8.695 -4.165 -6.017 1.00 0.00 C ATOM 168 C ARG A 9 7.267 -4.495 -5.575 1.00 0.00 C ATOM 169 O ARG A 9 7.062 -5.072 -4.508 1.00 0.00 O ATOM 170 CB ARG A 9 9.064 -2.766 -5.520 1.00 0.00 C ATOM 171 CG ARG A 9 8.417 -1.687 -6.390 1.00 0.00 C ATOM 172 CD ARG A 9 7.530 -0.765 -5.550 1.00 0.00 C ATOM 173 NE ARG A 9 6.650 -1.570 -4.674 1.00 0.00 N ATOM 174 CZ ARG A 9 5.567 -1.088 -4.050 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.222 0.198 -4.203 1.00 0.00 N ATOM 176 NH2 ARG A 9 4.827 -1.892 -3.274 1.00 0.00 N ATOM 0 H ARG A 9 8.983 -3.366 -7.932 1.00 0.00 H new ATOM 0 HA ARG A 9 9.390 -4.886 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.741 -2.647 -4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.147 -2.646 -5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.191 -1.101 -6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.822 -2.155 -7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.149 -0.102 -4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.928 -0.133 -6.202 1.00 0.00 H new ATOM 0 HE ARG A 9 6.883 -2.554 -4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.784 0.810 -4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.397 0.565 -3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.088 -2.871 -3.158 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.002 -1.525 -2.799 1.00 0.00 H new ATOM 190 N ARG A 10 6.318 -4.115 -6.417 1.00 0.00 N ATOM 191 CA ARG A 10 4.916 -4.363 -6.127 1.00 0.00 C ATOM 192 C ARG A 10 4.648 -5.868 -6.054 1.00 0.00 C ATOM 193 O ARG A 10 4.013 -6.344 -5.113 1.00 0.00 O ATOM 194 CB ARG A 10 4.014 -3.742 -7.195 1.00 0.00 C ATOM 195 CG ARG A 10 3.184 -2.596 -6.613 1.00 0.00 C ATOM 196 CD ARG A 10 3.114 -1.420 -7.589 1.00 0.00 C ATOM 197 NE ARG A 10 3.418 -0.156 -6.881 1.00 0.00 N ATOM 198 CZ ARG A 10 2.709 0.316 -5.847 1.00 0.00 C ATOM 199 NH1 ARG A 10 1.649 -0.368 -5.394 1.00 0.00 N ATOM 200 NH2 ARG A 10 3.058 1.472 -5.267 1.00 0.00 N ATOM 0 H ARG A 10 6.492 -3.637 -7.301 1.00 0.00 H new ATOM 0 HA ARG A 10 4.690 -3.903 -5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.623 -3.372 -8.020 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.351 -4.504 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.177 -2.948 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.623 -2.266 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.823 -1.570 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.121 -1.366 -8.036 1.00 0.00 H new ATOM 0 HE ARG A 10 4.218 0.390 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.383 -1.248 -5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.109 -0.009 -4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.864 1.993 -5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.518 1.831 -4.480 1.00 0.00 H new ATOM 214 N GLU A 11 5.144 -6.575 -7.059 1.00 0.00 N ATOM 215 CA GLU A 11 4.965 -8.015 -7.120 1.00 0.00 C ATOM 216 C GLU A 11 5.574 -8.679 -5.883 1.00 0.00 C ATOM 217 O GLU A 11 4.947 -9.536 -5.262 1.00 0.00 O ATOM 218 CB GLU A 11 5.570 -8.588 -8.403 1.00 0.00 C ATOM 219 CG GLU A 11 4.479 -8.926 -9.421 1.00 0.00 C ATOM 220 CD GLU A 11 5.071 -9.615 -10.652 1.00 0.00 C ATOM 221 OE1 GLU A 11 6.228 -9.280 -10.988 1.00 0.00 O ATOM 222 OE2 GLU A 11 4.354 -10.460 -11.229 1.00 0.00 O ATOM 0 H GLU A 11 5.670 -6.177 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 11 3.896 -8.228 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.265 -7.868 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.145 -9.484 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.735 -9.575 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.964 -8.014 -9.723 1.00 0.00 H new ATOM 229 N ALA A 12 6.788 -8.258 -5.562 1.00 0.00 N ATOM 230 CA ALA A 12 7.488 -8.800 -4.410 1.00 0.00 C ATOM 231 C ALA A 12 6.811 -8.308 -3.129 1.00 0.00 C ATOM 232 O ALA A 12 6.726 -9.043 -2.146 1.00 0.00 O ATOM 233 CB ALA A 12 8.965 -8.406 -4.478 1.00 0.00 C ATOM 0 H ALA A 12 7.305 -7.547 -6.080 1.00 0.00 H new ATOM 0 HA ALA A 12 7.441 -9.889 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.490 -8.813 -3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.406 -8.805 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.052 -7.319 -4.477 1.00 0.00 H new ATOM 239 N VAL A 13 6.348 -7.068 -3.181 1.00 0.00 N ATOM 240 CA VAL A 13 5.681 -6.469 -2.037 1.00 0.00 C ATOM 241 C VAL A 13 4.362 -7.201 -1.781 1.00 0.00 C ATOM 242 O VAL A 13 3.945 -7.353 -0.634 1.00 0.00 O ATOM 243 CB VAL A 13 5.498 -4.968 -2.265 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.413 -4.402 -1.347 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.819 -4.219 -2.078 1.00 0.00 C ATOM 0 H VAL A 13 6.421 -6.461 -3.998 1.00 0.00 H new ATOM 0 HA VAL A 13 6.291 -6.575 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 13 5.174 -4.824 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.303 -3.333 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.467 -4.904 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.695 -4.565 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.660 -3.154 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.186 -4.376 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.554 -4.593 -2.791 1.00 0.00 H new ATOM 255 N LEU A 14 3.741 -7.634 -2.868 1.00 0.00 N ATOM 256 CA LEU A 14 2.478 -8.345 -2.776 1.00 0.00 C ATOM 257 C LEU A 14 2.699 -9.677 -2.055 1.00 0.00 C ATOM 258 O LEU A 14 1.887 -10.079 -1.223 1.00 0.00 O ATOM 259 CB LEU A 14 1.843 -8.493 -4.160 1.00 0.00 C ATOM 260 CG LEU A 14 1.043 -7.290 -4.663 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.455 -7.598 -4.684 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.360 -6.039 -3.842 1.00 0.00 C ATOM 0 H LEU A 14 4.090 -7.506 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 14 1.763 -7.775 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.634 -8.705 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.184 -9.361 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 14 1.344 -7.085 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.001 -6.726 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.643 -8.444 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.790 -7.844 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.778 -5.198 -4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.105 -6.215 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.423 -5.810 -3.923 1.00 0.00 H new ATOM 274 N SER A 15 3.802 -10.324 -2.401 1.00 0.00 N ATOM 275 CA SER A 15 4.140 -11.602 -1.798 1.00 0.00 C ATOM 276 C SER A 15 4.368 -11.427 -0.295 1.00 0.00 C ATOM 277 O SER A 15 3.870 -12.214 0.508 1.00 0.00 O ATOM 278 CB SER A 15 5.380 -12.211 -2.455 1.00 0.00 C ATOM 279 OG SER A 15 5.056 -13.342 -3.260 1.00 0.00 O ATOM 0 H SER A 15 4.473 -9.987 -3.091 1.00 0.00 H new ATOM 0 HA SER A 15 3.306 -12.286 -1.956 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.872 -11.457 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.091 -12.507 -1.684 1.00 0.00 H new ATOM 0 HG SER A 15 5.874 -13.701 -3.663 1.00 0.00 H new ATOM 285 N LEU A 16 5.122 -10.390 0.040 1.00 0.00 N ATOM 286 CA LEU A 16 5.422 -10.101 1.432 1.00 0.00 C ATOM 287 C LEU A 16 4.176 -9.527 2.110 1.00 0.00 C ATOM 288 O LEU A 16 3.902 -9.828 3.270 1.00 0.00 O ATOM 289 CB LEU A 16 6.652 -9.198 1.539 1.00 0.00 C ATOM 290 CG LEU A 16 6.573 -7.866 0.790 1.00 0.00 C ATOM 291 CD1 LEU A 16 5.760 -6.840 1.582 1.00 0.00 C ATOM 292 CD2 LEU A 16 7.970 -7.347 0.445 1.00 0.00 C ATOM 0 H LEU A 16 5.534 -9.740 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 16 5.681 -11.017 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.834 -8.989 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.516 -9.749 1.169 1.00 0.00 H new ATOM 0 HG LEU A 16 6.051 -8.034 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.719 -5.902 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.748 -7.216 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.233 -6.670 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.885 -6.399 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.540 -7.198 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.482 -8.073 -0.187 1.00 0.00 H new ATOM 304 N CYS A 17 3.455 -8.710 1.356 1.00 0.00 N ATOM 305 CA CYS A 17 2.245 -8.091 1.869 1.00 0.00 C ATOM 306 C CYS A 17 1.277 -9.200 2.285 1.00 0.00 C ATOM 307 O CYS A 17 0.570 -9.069 3.283 1.00 0.00 O ATOM 308 CB CYS A 17 1.619 -7.140 0.847 1.00 0.00 C ATOM 309 SG CYS A 17 2.311 -5.458 1.050 1.00 0.00 S ATOM 0 H CYS A 17 3.686 -8.462 0.394 1.00 0.00 H new ATOM 0 HA CYS A 17 2.487 -7.478 2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.811 -7.501 -0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.537 -7.115 0.977 1.00 0.00 H new ATOM 0 HG CYS A 17 1.774 -4.659 0.176 1.00 0.00 H new ATOM 315 N ALA A 18 1.277 -10.267 1.500 1.00 0.00 N ATOM 316 CA ALA A 18 0.407 -11.398 1.774 1.00 0.00 C ATOM 317 C ALA A 18 0.809 -12.033 3.107 1.00 0.00 C ATOM 318 O ALA A 18 -0.043 -12.304 3.951 1.00 0.00 O ATOM 319 CB ALA A 18 0.477 -12.390 0.611 1.00 0.00 C ATOM 0 H ALA A 18 1.866 -10.372 0.674 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.630 -11.073 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.176 -13.238 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.154 -11.898 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.502 -12.741 0.493 1.00 0.00 H new ATOM 325 N ARG A 19 2.108 -12.253 3.253 1.00 0.00 N ATOM 326 CA ARG A 19 2.633 -12.851 4.469 1.00 0.00 C ATOM 327 C ARG A 19 2.607 -11.837 5.614 1.00 0.00 C ATOM 328 O ARG A 19 2.681 -12.213 6.783 1.00 0.00 O ATOM 329 CB ARG A 19 4.068 -13.343 4.265 1.00 0.00 C ATOM 330 CG ARG A 19 4.084 -14.765 3.700 1.00 0.00 C ATOM 331 CD ARG A 19 3.716 -14.770 2.215 1.00 0.00 C ATOM 332 NE ARG A 19 3.515 -16.160 1.748 1.00 0.00 N ATOM 333 CZ ARG A 19 4.502 -17.054 1.603 1.00 0.00 C ATOM 334 NH1 ARG A 19 5.765 -16.710 1.888 1.00 0.00 N ATOM 335 NH2 ARG A 19 4.226 -18.293 1.173 1.00 0.00 N ATOM 0 H ARG A 19 2.812 -12.028 2.550 1.00 0.00 H new ATOM 0 HA ARG A 19 2.000 -13.703 4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.593 -12.672 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.603 -13.319 5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.073 -15.202 3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.382 -15.388 4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.808 -14.189 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.506 -14.293 1.635 1.00 0.00 H new ATOM 0 HE ARG A 19 2.565 -16.456 1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.975 -15.767 2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.516 -17.391 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.264 -18.555 0.956 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.978 -18.974 1.063 1.00 0.00 H new ATOM 349 N HIS A 20 2.502 -10.571 5.238 1.00 0.00 N ATOM 350 CA HIS A 20 2.466 -9.499 6.219 1.00 0.00 C ATOM 351 C HIS A 20 1.026 -9.280 6.686 1.00 0.00 C ATOM 352 O HIS A 20 0.750 -8.354 7.448 1.00 0.00 O ATOM 353 CB HIS A 20 3.108 -8.228 5.660 1.00 0.00 C ATOM 354 CG HIS A 20 4.571 -8.077 6.003 1.00 0.00 C ATOM 355 ND1 HIS A 20 5.008 -7.550 7.206 1.00 0.00 N ATOM 356 CD2 HIS A 20 5.691 -8.390 5.290 1.00 0.00 C ATOM 357 CE1 HIS A 20 6.333 -7.550 7.206 1.00 0.00 C ATOM 358 NE2 HIS A 20 6.754 -8.070 6.017 1.00 0.00 N ATOM 0 H HIS A 20 2.441 -10.263 4.267 1.00 0.00 H new ATOM 0 HA HIS A 20 3.056 -9.780 7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.997 -8.224 4.576 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.565 -7.362 6.039 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.709 -8.825 4.301 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.968 -7.200 8.006 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.726 -8.193 5.733 1.00 0.00 H new ATOM 366 N GLY A 21 0.144 -10.147 6.209 1.00 0.00 N ATOM 367 CA GLY A 21 -1.261 -10.059 6.567 1.00 0.00 C ATOM 368 C GLY A 21 -1.976 -8.999 5.727 1.00 0.00 C ATOM 369 O GLY A 21 -2.581 -8.075 6.271 1.00 0.00 O ATOM 0 H GLY A 21 0.376 -10.914 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.739 -11.028 6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.356 -9.814 7.625 1.00 0.00 H new ATOM 373 N ALA A 22 -1.884 -9.167 4.417 1.00 0.00 N ATOM 374 CA ALA A 22 -2.515 -8.236 3.496 1.00 0.00 C ATOM 375 C ALA A 22 -3.250 -9.021 2.408 1.00 0.00 C ATOM 376 O ALA A 22 -2.628 -9.743 1.631 1.00 0.00 O ATOM 377 CB ALA A 22 -1.458 -7.292 2.921 1.00 0.00 C ATOM 0 H ALA A 22 -1.382 -9.934 3.970 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.252 -7.623 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.931 -6.594 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.986 -6.737 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.703 -7.872 2.390 1.00 0.00 H new ATOM 383 N VAL A 23 -4.564 -8.852 2.387 1.00 0.00 N ATOM 384 CA VAL A 23 -5.390 -9.536 1.406 1.00 0.00 C ATOM 385 C VAL A 23 -5.890 -8.524 0.372 1.00 0.00 C ATOM 386 O VAL A 23 -5.944 -8.825 -0.819 1.00 0.00 O ATOM 387 CB VAL A 23 -6.526 -10.283 2.109 1.00 0.00 C ATOM 388 CG1 VAL A 23 -6.060 -11.655 2.598 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.096 -9.454 3.262 1.00 0.00 C ATOM 0 H VAL A 23 -5.077 -8.252 3.033 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.807 -10.286 0.871 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.324 -10.440 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.886 -12.165 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.725 -12.249 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.237 -11.530 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.902 -10.007 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.309 -9.251 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.484 -8.512 2.875 1.00 0.00 H new ATOM 399 N ARG A 24 -6.242 -7.346 0.866 1.00 0.00 N ATOM 400 CA ARG A 24 -6.734 -6.289 0.000 1.00 0.00 C ATOM 401 C ARG A 24 -5.564 -5.514 -0.610 1.00 0.00 C ATOM 402 O ARG A 24 -5.505 -4.290 -0.506 1.00 0.00 O ATOM 403 CB ARG A 24 -7.633 -5.320 0.770 1.00 0.00 C ATOM 404 CG ARG A 24 -9.111 -5.636 0.534 1.00 0.00 C ATOM 405 CD ARG A 24 -9.531 -5.260 -0.889 1.00 0.00 C ATOM 406 NE ARG A 24 -10.647 -6.126 -1.332 1.00 0.00 N ATOM 407 CZ ARG A 24 -11.918 -5.974 -0.938 1.00 0.00 C ATOM 408 NH1 ARG A 24 -12.243 -4.989 -0.089 1.00 0.00 N ATOM 409 NH2 ARG A 24 -12.865 -6.807 -1.392 1.00 0.00 N ATOM 0 H ARG A 24 -6.196 -7.101 1.855 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.318 -6.756 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.410 -5.381 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.422 -4.297 0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.291 -6.698 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.723 -5.092 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.836 -4.214 -0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.685 -5.368 -1.567 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.435 -6.886 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.522 -4.355 0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.211 -4.873 0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.618 -7.557 -2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.833 -6.691 -1.092 1.00 0.00 H new ATOM 423 N VAL A 25 -4.663 -6.259 -1.232 1.00 0.00 N ATOM 424 CA VAL A 25 -3.498 -5.657 -1.859 1.00 0.00 C ATOM 425 C VAL A 25 -3.948 -4.792 -3.038 1.00 0.00 C ATOM 426 O VAL A 25 -4.312 -5.313 -4.091 1.00 0.00 O ATOM 427 CB VAL A 25 -2.500 -6.745 -2.262 1.00 0.00 C ATOM 428 CG1 VAL A 25 -1.745 -7.275 -1.041 1.00 0.00 C ATOM 429 CG2 VAL A 25 -3.200 -7.881 -3.010 1.00 0.00 C ATOM 0 H VAL A 25 -4.716 -7.274 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.981 -5.004 -1.156 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.771 -6.298 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.042 -8.047 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.200 -6.458 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.455 -7.698 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.468 -8.641 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.961 -8.325 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.671 -7.488 -3.911 1.00 0.00 H new ATOM 439 N ARG A 26 -3.909 -3.486 -2.821 1.00 0.00 N ATOM 440 CA ARG A 26 -4.309 -2.544 -3.852 1.00 0.00 C ATOM 441 C ARG A 26 -3.563 -1.219 -3.680 1.00 0.00 C ATOM 442 O ARG A 26 -3.127 -0.887 -2.578 1.00 0.00 O ATOM 443 CB ARG A 26 -5.816 -2.282 -3.806 1.00 0.00 C ATOM 444 CG ARG A 26 -6.509 -2.851 -5.046 1.00 0.00 C ATOM 445 CD ARG A 26 -7.938 -2.317 -5.168 1.00 0.00 C ATOM 446 NE ARG A 26 -8.808 -3.337 -5.793 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.098 -4.521 -5.236 1.00 0.00 C ATOM 448 NH1 ARG A 26 -8.590 -4.840 -4.038 1.00 0.00 N ATOM 449 NH2 ARG A 26 -9.897 -5.385 -5.877 1.00 0.00 N ATOM 0 H ARG A 26 -3.606 -3.058 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.058 -2.984 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.240 -2.733 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.001 -1.210 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.941 -2.587 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.527 -3.939 -4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.322 -2.054 -4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.945 -1.406 -5.766 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.213 -3.126 -6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.983 -4.182 -3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.811 -5.741 -3.614 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.284 -5.141 -6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.118 -6.286 -5.453 1.00 0.00 H new ATOM 463 N VAL A 27 -3.438 -0.499 -4.784 1.00 0.00 N ATOM 464 CA VAL A 27 -2.752 0.782 -4.769 1.00 0.00 C ATOM 465 C VAL A 27 -3.716 1.878 -5.229 1.00 0.00 C ATOM 466 O VAL A 27 -4.177 1.865 -6.369 1.00 0.00 O ATOM 467 CB VAL A 27 -1.483 0.706 -5.620 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.767 0.047 -6.971 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.863 2.093 -5.805 1.00 0.00 C ATOM 0 H VAL A 27 -3.800 -0.778 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.434 1.033 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.761 0.085 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.848 0.006 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.141 -0.964 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.514 0.629 -7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.038 2.011 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.578 2.748 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.606 2.510 -4.831 1.00 0.00 H new ATOM 479 N PHE A 28 -3.991 2.800 -4.318 1.00 0.00 N ATOM 480 CA PHE A 28 -4.892 3.900 -4.616 1.00 0.00 C ATOM 481 C PHE A 28 -4.203 5.248 -4.393 1.00 0.00 C ATOM 482 O PHE A 28 -3.355 5.377 -3.511 1.00 0.00 O ATOM 483 CB PHE A 28 -6.077 3.781 -3.656 1.00 0.00 C ATOM 484 CG PHE A 28 -5.807 4.347 -2.261 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.986 5.673 -2.018 1.00 0.00 C ATOM 486 CD2 PHE A 28 -5.387 3.523 -1.263 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.735 6.198 -0.722 1.00 0.00 C ATOM 488 CE2 PHE A 28 -5.136 4.048 0.033 1.00 0.00 C ATOM 489 CZ PHE A 28 -5.316 5.374 0.275 1.00 0.00 C ATOM 0 H PHE A 28 -3.606 2.808 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.207 3.851 -5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.934 4.298 -4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.352 2.730 -3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.319 6.327 -2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.244 2.470 -1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.877 7.251 -0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.802 3.394 0.825 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.126 5.773 1.260 1.00 0.00 H new ATOM 499 N GLY A 29 -4.594 6.219 -5.206 1.00 0.00 N ATOM 500 CA GLY A 29 -4.025 7.552 -5.108 1.00 0.00 C ATOM 501 C GLY A 29 -3.226 7.901 -6.365 1.00 0.00 C ATOM 502 O GLY A 29 -3.367 7.246 -7.397 1.00 0.00 O ATOM 0 H GLY A 29 -5.298 6.109 -5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.822 8.282 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.378 7.611 -4.233 1.00 0.00 H new ATOM 506 N SER A 30 -2.405 8.933 -6.238 1.00 0.00 N ATOM 507 CA SER A 30 -1.583 9.377 -7.352 1.00 0.00 C ATOM 508 C SER A 30 -0.618 8.265 -7.766 1.00 0.00 C ATOM 509 O SER A 30 -0.296 8.125 -8.945 1.00 0.00 O ATOM 510 CB SER A 30 -0.809 10.646 -6.993 1.00 0.00 C ATOM 511 OG SER A 30 -0.561 10.742 -5.593 1.00 0.00 O ATOM 0 H SER A 30 -2.291 9.475 -5.381 1.00 0.00 H new ATOM 0 HA SER A 30 -2.239 9.610 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.139 10.657 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.372 11.519 -7.322 1.00 0.00 H new ATOM 0 HG SER A 30 -0.063 11.565 -5.405 1.00 0.00 H new ATOM 517 N VAL A 31 -0.183 7.502 -6.774 1.00 0.00 N ATOM 518 CA VAL A 31 0.740 6.407 -7.020 1.00 0.00 C ATOM 519 C VAL A 31 0.102 5.420 -8.000 1.00 0.00 C ATOM 520 O VAL A 31 0.796 4.808 -8.811 1.00 0.00 O ATOM 521 CB VAL A 31 1.147 5.757 -5.696 1.00 0.00 C ATOM 522 CG1 VAL A 31 2.299 4.773 -5.901 1.00 0.00 C ATOM 523 CG2 VAL A 31 1.509 6.817 -4.654 1.00 0.00 C ATOM 0 H VAL A 31 -0.453 7.621 -5.798 1.00 0.00 H new ATOM 0 HA VAL A 31 1.657 6.776 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 31 0.291 5.197 -5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.569 4.325 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.990 3.991 -6.594 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.160 5.301 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.795 6.329 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.342 7.417 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.648 7.462 -4.477 1.00 0.00 H new ATOM 533 N ALA A 32 -1.213 5.294 -7.892 1.00 0.00 N ATOM 534 CA ALA A 32 -1.952 4.392 -8.758 1.00 0.00 C ATOM 535 C ALA A 32 -1.656 4.737 -10.219 1.00 0.00 C ATOM 536 O ALA A 32 -1.517 3.845 -11.055 1.00 0.00 O ATOM 537 CB ALA A 32 -3.444 4.476 -8.430 1.00 0.00 C ATOM 0 H ALA A 32 -1.785 5.802 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.640 3.361 -8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.998 3.799 -9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.604 4.193 -7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.794 5.496 -8.586 1.00 0.00 H new ATOM 543 N ARG A 33 -1.568 6.032 -10.482 1.00 0.00 N ATOM 544 CA ARG A 33 -1.292 6.506 -11.827 1.00 0.00 C ATOM 545 C ARG A 33 0.207 6.416 -12.124 1.00 0.00 C ATOM 546 O ARG A 33 0.617 6.450 -13.283 1.00 0.00 O ATOM 547 CB ARG A 33 -1.754 7.953 -12.008 1.00 0.00 C ATOM 548 CG ARG A 33 -3.077 8.015 -12.773 1.00 0.00 C ATOM 549 CD ARG A 33 -2.836 8.265 -14.264 1.00 0.00 C ATOM 550 NE ARG A 33 -2.701 6.975 -14.977 1.00 0.00 N ATOM 551 CZ ARG A 33 -2.350 6.863 -16.265 1.00 0.00 C ATOM 552 NH1 ARG A 33 -2.096 7.961 -16.989 1.00 0.00 N ATOM 553 NH2 ARG A 33 -2.252 5.651 -16.830 1.00 0.00 N ATOM 0 H ARG A 33 -1.683 6.768 -9.786 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.843 5.872 -12.521 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.871 8.426 -11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.992 8.517 -12.546 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.622 7.080 -12.641 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.701 8.809 -12.363 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.663 8.837 -14.684 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.934 8.862 -14.400 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.887 6.118 -14.455 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.170 8.883 -16.560 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.829 7.875 -17.970 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.445 4.814 -16.279 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.985 5.566 -17.811 1.00 0.00 H new ATOM 567 N GLY A 34 0.983 6.302 -11.056 1.00 0.00 N ATOM 568 CA GLY A 34 2.427 6.206 -11.188 1.00 0.00 C ATOM 569 C GLY A 34 3.098 7.538 -10.847 1.00 0.00 C ATOM 570 O GLY A 34 4.199 7.820 -11.317 1.00 0.00 O ATOM 0 H GLY A 34 0.639 6.274 -10.096 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.805 5.425 -10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.684 5.915 -12.207 1.00 0.00 H new ATOM 574 N GLU A 35 2.406 8.321 -10.033 1.00 0.00 N ATOM 575 CA GLU A 35 2.921 9.617 -9.624 1.00 0.00 C ATOM 576 C GLU A 35 2.963 9.714 -8.098 1.00 0.00 C ATOM 577 O GLU A 35 1.977 9.415 -7.426 1.00 0.00 O ATOM 578 CB GLU A 35 2.089 10.752 -10.223 1.00 0.00 C ATOM 579 CG GLU A 35 2.135 11.996 -9.333 1.00 0.00 C ATOM 580 CD GLU A 35 3.570 12.503 -9.174 1.00 0.00 C ATOM 581 OE1 GLU A 35 4.485 11.749 -9.568 1.00 0.00 O ATOM 582 OE2 GLU A 35 3.719 13.634 -8.663 1.00 0.00 O ATOM 0 H GLU A 35 1.493 8.083 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 35 3.938 9.718 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.464 10.997 -11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.056 10.425 -10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.514 12.780 -9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.717 11.763 -8.354 1.00 0.00 H new ATOM 589 N ALA A 36 4.114 10.134 -7.594 1.00 0.00 N ATOM 590 CA ALA A 36 4.297 10.274 -6.160 1.00 0.00 C ATOM 591 C ALA A 36 5.677 10.875 -5.882 1.00 0.00 C ATOM 592 O ALA A 36 6.693 10.193 -6.015 1.00 0.00 O ATOM 593 CB ALA A 36 4.107 8.914 -5.485 1.00 0.00 C ATOM 0 H ALA A 36 4.930 10.382 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 36 3.552 10.952 -5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.244 9.020 -4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.102 8.544 -5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.839 8.208 -5.877 1.00 0.00 H new ATOM 599 N ARG A 37 5.669 12.144 -5.502 1.00 0.00 N ATOM 600 CA ARG A 37 6.907 12.844 -5.205 1.00 0.00 C ATOM 601 C ARG A 37 7.862 11.929 -4.435 1.00 0.00 C ATOM 602 O ARG A 37 7.436 10.940 -3.841 1.00 0.00 O ATOM 603 CB ARG A 37 6.643 14.104 -4.379 1.00 0.00 C ATOM 604 CG ARG A 37 7.189 15.347 -5.085 1.00 0.00 C ATOM 605 CD ARG A 37 6.051 16.259 -5.548 1.00 0.00 C ATOM 606 NE ARG A 37 6.521 17.139 -6.641 1.00 0.00 N ATOM 607 CZ ARG A 37 7.374 18.159 -6.470 1.00 0.00 C ATOM 608 NH1 ARG A 37 7.854 18.434 -5.250 1.00 0.00 N ATOM 609 NH2 ARG A 37 7.745 18.905 -7.520 1.00 0.00 N ATOM 0 H ARG A 37 4.825 12.706 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 37 7.360 13.133 -6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.572 14.217 -4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.108 14.004 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.846 15.894 -4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.791 15.047 -5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.209 15.658 -5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.694 16.862 -4.713 1.00 0.00 H new ATOM 0 HE ARG A 37 6.174 16.958 -7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.571 17.867 -4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.503 19.210 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.378 18.697 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.394 19.681 -7.390 1.00 0.00 H new ATOM 623 N GLU A 38 9.136 12.292 -4.471 1.00 0.00 N ATOM 624 CA GLU A 38 10.155 11.517 -3.784 1.00 0.00 C ATOM 625 C GLU A 38 10.220 11.915 -2.308 1.00 0.00 C ATOM 626 O GLU A 38 11.013 11.363 -1.547 1.00 0.00 O ATOM 627 CB GLU A 38 11.518 11.684 -4.458 1.00 0.00 C ATOM 628 CG GLU A 38 11.418 11.444 -5.965 1.00 0.00 C ATOM 629 CD GLU A 38 11.863 10.025 -6.325 1.00 0.00 C ATOM 630 OE1 GLU A 38 11.145 9.085 -5.920 1.00 0.00 O ATOM 631 OE2 GLU A 38 12.911 9.912 -6.997 1.00 0.00 O ATOM 0 H GLU A 38 9.486 13.113 -4.965 1.00 0.00 H new ATOM 0 HA GLU A 38 9.884 10.463 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.900 12.688 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.231 10.985 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.391 11.601 -6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.037 12.168 -6.494 1.00 0.00 H new ATOM 638 N ASP A 39 9.375 12.870 -1.948 1.00 0.00 N ATOM 639 CA ASP A 39 9.327 13.349 -0.577 1.00 0.00 C ATOM 640 C ASP A 39 7.894 13.239 -0.053 1.00 0.00 C ATOM 641 O ASP A 39 7.590 13.713 1.041 1.00 0.00 O ATOM 642 CB ASP A 39 9.750 14.817 -0.491 1.00 0.00 C ATOM 643 CG ASP A 39 10.751 15.137 0.622 1.00 0.00 C ATOM 644 OD1 ASP A 39 11.879 14.605 0.541 1.00 0.00 O ATOM 645 OD2 ASP A 39 10.365 15.906 1.528 1.00 0.00 O ATOM 0 H ASP A 39 8.718 13.325 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 39 10.010 12.741 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.185 15.111 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.859 15.428 -0.345 1.00 0.00 H new ATOM 650 N SER A 40 7.050 12.610 -0.858 1.00 0.00 N ATOM 651 CA SER A 40 5.656 12.431 -0.490 1.00 0.00 C ATOM 652 C SER A 40 5.439 11.025 0.072 1.00 0.00 C ATOM 653 O SER A 40 6.364 10.214 0.100 1.00 0.00 O ATOM 654 CB SER A 40 4.734 12.673 -1.687 1.00 0.00 C ATOM 655 OG SER A 40 3.879 13.794 -1.485 1.00 0.00 O ATOM 0 H SER A 40 7.305 12.218 -1.764 1.00 0.00 H new ATOM 0 HA SER A 40 5.409 13.164 0.278 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.336 12.833 -2.582 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.129 11.784 -1.864 1.00 0.00 H new ATOM 0 HG SER A 40 3.308 13.916 -2.272 1.00 0.00 H new ATOM 661 N ASP A 41 4.212 10.778 0.506 1.00 0.00 N ATOM 662 CA ASP A 41 3.862 9.484 1.066 1.00 0.00 C ATOM 663 C ASP A 41 3.193 8.631 -0.014 1.00 0.00 C ATOM 664 O ASP A 41 2.868 9.128 -1.091 1.00 0.00 O ATOM 665 CB ASP A 41 2.878 9.634 2.227 1.00 0.00 C ATOM 666 CG ASP A 41 1.813 10.716 2.038 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.217 10.739 0.939 1.00 0.00 O ATOM 668 OD2 ASP A 41 1.620 11.496 2.995 1.00 0.00 O ATOM 0 H ASP A 41 3.447 11.453 0.481 1.00 0.00 H new ATOM 0 HA ASP A 41 4.777 9.014 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.379 8.678 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.441 9.854 3.134 1.00 0.00 H new ATOM 673 N LEU A 42 3.007 7.360 0.312 1.00 0.00 N ATOM 674 CA LEU A 42 2.383 6.433 -0.616 1.00 0.00 C ATOM 675 C LEU A 42 1.053 5.950 -0.032 1.00 0.00 C ATOM 676 O LEU A 42 1.024 5.352 1.043 1.00 0.00 O ATOM 677 CB LEU A 42 3.346 5.298 -0.970 1.00 0.00 C ATOM 678 CG LEU A 42 2.701 3.972 -1.376 1.00 0.00 C ATOM 679 CD1 LEU A 42 1.622 4.189 -2.438 1.00 0.00 C ATOM 680 CD2 LEU A 42 3.758 2.964 -1.831 1.00 0.00 C ATOM 0 H LEU A 42 3.278 6.951 1.206 1.00 0.00 H new ATOM 0 HA LEU A 42 2.156 6.933 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.986 5.633 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.993 5.117 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 42 2.210 3.550 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.180 3.230 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.848 4.847 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.068 4.645 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.272 2.030 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.299 3.366 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.457 2.777 -1.016 1.00 0.00 H new ATOM 692 N ASP A 43 -0.014 6.228 -0.765 1.00 0.00 N ATOM 693 CA ASP A 43 -1.343 5.830 -0.333 1.00 0.00 C ATOM 694 C ASP A 43 -1.621 4.400 -0.802 1.00 0.00 C ATOM 695 O ASP A 43 -1.739 4.149 -2.000 1.00 0.00 O ATOM 696 CB ASP A 43 -2.415 6.741 -0.935 1.00 0.00 C ATOM 697 CG ASP A 43 -2.337 8.206 -0.499 1.00 0.00 C ATOM 698 OD1 ASP A 43 -1.196 8.691 -0.339 1.00 0.00 O ATOM 699 OD2 ASP A 43 -3.420 8.808 -0.336 1.00 0.00 O ATOM 0 H ASP A 43 0.014 6.724 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.378 5.901 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.340 6.696 -2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.396 6.349 -0.667 1.00 0.00 H new ATOM 704 N LEU A 44 -1.715 3.501 0.167 1.00 0.00 N ATOM 705 CA LEU A 44 -1.976 2.104 -0.132 1.00 0.00 C ATOM 706 C LEU A 44 -3.097 1.593 0.775 1.00 0.00 C ATOM 707 O LEU A 44 -3.011 1.706 1.997 1.00 0.00 O ATOM 708 CB LEU A 44 -0.687 1.286 -0.037 1.00 0.00 C ATOM 709 CG LEU A 44 -0.279 0.527 -1.301 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.112 1.496 -2.419 1.00 0.00 C ATOM 711 CD2 LEU A 44 0.832 -0.481 -1.001 1.00 0.00 C ATOM 0 H LEU A 44 -1.615 3.713 1.160 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.322 1.993 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.126 1.957 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.795 0.567 0.775 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.141 -0.040 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.398 0.931 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.735 2.139 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.952 2.108 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.103 -1.007 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.704 0.044 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.481 -1.200 -0.260 1.00 0.00 H new ATOM 723 N LEU A 45 -4.123 1.043 0.143 1.00 0.00 N ATOM 724 CA LEU A 45 -5.260 0.515 0.878 1.00 0.00 C ATOM 725 C LEU A 45 -5.156 -1.010 0.942 1.00 0.00 C ATOM 726 O LEU A 45 -5.215 -1.684 -0.085 1.00 0.00 O ATOM 727 CB LEU A 45 -6.571 1.017 0.270 1.00 0.00 C ATOM 728 CG LEU A 45 -7.853 0.426 0.860 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.818 0.457 2.389 1.00 0.00 C ATOM 730 CD2 LEU A 45 -9.090 1.133 0.302 1.00 0.00 C ATOM 0 H LEU A 45 -4.191 0.951 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.252 0.879 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.609 2.101 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.556 0.807 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.916 -0.620 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.741 0.031 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.969 -0.126 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.720 1.488 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.988 0.694 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.047 2.193 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.118 1.016 -0.781 1.00 0.00 H new ATOM 742 N VAL A 46 -5.003 -1.510 2.160 1.00 0.00 N ATOM 743 CA VAL A 46 -4.891 -2.943 2.372 1.00 0.00 C ATOM 744 C VAL A 46 -5.775 -3.351 3.552 1.00 0.00 C ATOM 745 O VAL A 46 -6.138 -2.515 4.378 1.00 0.00 O ATOM 746 CB VAL A 46 -3.423 -3.330 2.563 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.725 -3.517 1.215 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.691 -2.296 3.421 1.00 0.00 C ATOM 0 H VAL A 46 -4.954 -0.948 3.010 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.246 -3.487 1.497 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.394 -4.284 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.683 -3.792 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.224 -4.307 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.770 -2.586 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.650 -2.595 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.735 -1.322 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.166 -2.234 4.400 1.00 0.00 H new ATOM 758 N ALA A 47 -6.097 -4.635 3.592 1.00 0.00 N ATOM 759 CA ALA A 47 -6.933 -5.164 4.657 1.00 0.00 C ATOM 760 C ALA A 47 -6.185 -6.289 5.375 1.00 0.00 C ATOM 761 O ALA A 47 -5.813 -7.285 4.757 1.00 0.00 O ATOM 762 CB ALA A 47 -8.268 -5.631 4.074 1.00 0.00 C ATOM 0 H ALA A 47 -5.794 -5.325 2.904 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.152 -4.391 5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.895 -6.028 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.773 -4.789 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.089 -6.410 3.333 1.00 0.00 H new ATOM 768 N PHE A 48 -5.987 -6.092 6.670 1.00 0.00 N ATOM 769 CA PHE A 48 -5.290 -7.077 7.479 1.00 0.00 C ATOM 770 C PHE A 48 -6.273 -8.072 8.100 1.00 0.00 C ATOM 771 O PHE A 48 -7.294 -7.674 8.659 1.00 0.00 O ATOM 772 CB PHE A 48 -4.579 -6.315 8.599 1.00 0.00 C ATOM 773 CG PHE A 48 -3.396 -5.470 8.124 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.600 -4.198 7.688 1.00 0.00 C ATOM 775 CD2 PHE A 48 -2.140 -5.991 8.136 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.502 -3.414 7.246 1.00 0.00 C ATOM 777 CE2 PHE A 48 -1.041 -5.206 7.695 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.246 -3.934 7.259 1.00 0.00 C ATOM 0 H PHE A 48 -6.297 -5.264 7.179 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.589 -7.637 6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.299 -5.666 9.097 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.226 -7.029 9.343 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.598 -3.784 7.678 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.978 -7.002 8.481 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.665 -2.404 6.899 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.043 -5.619 7.706 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.411 -3.337 6.923 1.00 0.00 H new ATOM 788 N GLU A 49 -5.931 -9.346 7.980 1.00 0.00 N ATOM 789 CA GLU A 49 -6.771 -10.401 8.522 1.00 0.00 C ATOM 790 C GLU A 49 -6.684 -10.416 10.049 1.00 0.00 C ATOM 791 O GLU A 49 -6.082 -9.528 10.649 1.00 0.00 O ATOM 792 CB GLU A 49 -6.388 -11.762 7.937 1.00 0.00 C ATOM 793 CG GLU A 49 -4.894 -12.036 8.120 1.00 0.00 C ATOM 794 CD GLU A 49 -4.576 -13.516 7.896 1.00 0.00 C ATOM 795 OE1 GLU A 49 -5.170 -14.340 8.625 1.00 0.00 O ATOM 796 OE2 GLU A 49 -3.748 -13.790 7.002 1.00 0.00 O ATOM 0 H GLU A 49 -5.084 -9.672 7.515 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.804 -10.199 8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.968 -12.547 8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.639 -11.790 6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.321 -11.427 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.587 -11.742 9.124 1.00 0.00 H new ATOM 803 N GLU A 50 -7.295 -11.436 10.634 1.00 0.00 N ATOM 804 CA GLU A 50 -7.295 -11.579 12.080 1.00 0.00 C ATOM 805 C GLU A 50 -5.991 -12.228 12.549 1.00 0.00 C ATOM 806 O GLU A 50 -5.412 -13.049 11.839 1.00 0.00 O ATOM 807 CB GLU A 50 -8.508 -12.382 12.552 1.00 0.00 C ATOM 808 CG GLU A 50 -9.813 -11.673 12.182 1.00 0.00 C ATOM 809 CD GLU A 50 -10.667 -12.544 11.258 1.00 0.00 C ATOM 810 OE1 GLU A 50 -10.081 -13.111 10.311 1.00 0.00 O ATOM 811 OE2 GLU A 50 -11.886 -12.623 11.520 1.00 0.00 O ATOM 0 H GLU A 50 -7.793 -12.171 10.133 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.364 -10.586 12.524 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.489 -13.375 12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.459 -12.521 13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.373 -11.439 13.087 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.590 -10.726 11.691 1.00 0.00 H new ATOM 818 N GLY A 51 -5.567 -11.836 13.742 1.00 0.00 N ATOM 819 CA GLY A 51 -4.343 -12.370 14.313 1.00 0.00 C ATOM 820 C GLY A 51 -3.170 -11.414 14.087 1.00 0.00 C ATOM 821 O GLY A 51 -2.074 -11.639 14.598 1.00 0.00 O ATOM 0 H GLY A 51 -6.050 -11.155 14.328 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.479 -12.538 15.381 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.120 -13.338 13.864 1.00 0.00 H new ATOM 825 N ARG A 52 -3.440 -10.367 13.321 1.00 0.00 N ATOM 826 CA ARG A 52 -2.421 -9.376 13.021 1.00 0.00 C ATOM 827 C ARG A 52 -2.511 -8.207 14.004 1.00 0.00 C ATOM 828 O ARG A 52 -3.550 -7.995 14.627 1.00 0.00 O ATOM 829 CB ARG A 52 -2.571 -8.846 11.593 1.00 0.00 C ATOM 830 CG ARG A 52 -2.422 -9.975 10.571 1.00 0.00 C ATOM 831 CD ARG A 52 -0.948 -10.252 10.271 1.00 0.00 C ATOM 832 NE ARG A 52 -0.805 -11.568 9.608 1.00 0.00 N ATOM 833 CZ ARG A 52 -0.953 -12.744 10.232 1.00 0.00 C ATOM 834 NH1 ARG A 52 -1.249 -12.776 11.539 1.00 0.00 N ATOM 835 NH2 ARG A 52 -0.805 -13.888 9.550 1.00 0.00 N ATOM 0 H ARG A 52 -4.350 -10.184 12.899 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.449 -9.861 13.116 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.546 -8.372 11.478 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.820 -8.079 11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.896 -10.880 10.952 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.940 -9.707 9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.545 -9.467 9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.371 -10.237 11.196 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.580 -11.580 8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.361 -11.905 12.058 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.362 -13.671 12.015 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.580 -13.863 8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.918 -14.783 10.025 1.00 0.00 H new ATOM 849 N THR A 53 -1.409 -7.479 14.111 1.00 0.00 N ATOM 850 CA THR A 53 -1.351 -6.337 15.007 1.00 0.00 C ATOM 851 C THR A 53 -0.598 -5.180 14.348 1.00 0.00 C ATOM 852 O THR A 53 -0.031 -5.338 13.268 1.00 0.00 O ATOM 853 CB THR A 53 -0.722 -6.800 16.323 1.00 0.00 C ATOM 854 OG1 THR A 53 0.589 -7.220 15.952 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.378 -8.069 16.871 1.00 0.00 C ATOM 0 H THR A 53 -0.549 -7.658 13.592 1.00 0.00 H new ATOM 0 HA THR A 53 -2.348 -5.953 15.224 1.00 0.00 H new ATOM 0 HB THR A 53 -0.799 -6.003 17.062 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.069 -7.535 16.746 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.894 -8.354 17.805 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.436 -7.882 17.053 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.271 -8.876 16.146 1.00 0.00 H new ATOM 863 N LEU A 54 -0.617 -4.042 15.026 1.00 0.00 N ATOM 864 CA LEU A 54 0.057 -2.858 14.519 1.00 0.00 C ATOM 865 C LEU A 54 1.539 -3.173 14.304 1.00 0.00 C ATOM 866 O LEU A 54 2.161 -2.646 13.383 1.00 0.00 O ATOM 867 CB LEU A 54 -0.191 -1.664 15.444 1.00 0.00 C ATOM 868 CG LEU A 54 -0.936 -0.480 14.825 1.00 0.00 C ATOM 869 CD1 LEU A 54 -0.055 0.254 13.812 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.264 -0.929 14.210 1.00 0.00 C ATOM 0 H LEU A 54 -1.088 -3.914 15.922 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.352 -2.572 13.550 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.756 -2.011 16.309 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.771 -1.309 15.813 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.171 0.228 15.619 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.609 1.091 13.387 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.840 0.627 14.311 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.233 -0.432 13.016 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.774 -0.068 13.777 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.073 -1.667 13.431 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.892 -1.371 14.983 1.00 0.00 H new ATOM 882 N LEU A 55 2.060 -4.029 15.170 1.00 0.00 N ATOM 883 CA LEU A 55 3.457 -4.420 15.086 1.00 0.00 C ATOM 884 C LEU A 55 3.747 -4.965 13.686 1.00 0.00 C ATOM 885 O LEU A 55 4.797 -4.682 13.111 1.00 0.00 O ATOM 886 CB LEU A 55 3.809 -5.396 16.211 1.00 0.00 C ATOM 887 CG LEU A 55 4.996 -5.004 17.093 1.00 0.00 C ATOM 888 CD1 LEU A 55 6.293 -4.969 16.282 1.00 0.00 C ATOM 889 CD2 LEU A 55 4.732 -3.679 17.811 1.00 0.00 C ATOM 0 H LEU A 55 1.540 -4.463 15.933 1.00 0.00 H new ATOM 0 HA LEU A 55 4.104 -3.555 15.232 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.933 -5.516 16.848 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.017 -6.370 15.768 1.00 0.00 H new ATOM 0 HG LEU A 55 5.118 -5.767 17.862 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.121 -4.688 16.932 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.483 -5.955 15.858 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.199 -4.240 15.477 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.591 -3.424 18.431 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.569 -2.892 17.074 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.847 -3.776 18.440 1.00 0.00 H new ATOM 901 N ASP A 56 2.798 -5.737 13.178 1.00 0.00 N ATOM 902 CA ASP A 56 2.938 -6.323 11.856 1.00 0.00 C ATOM 903 C ASP A 56 2.807 -5.225 10.799 1.00 0.00 C ATOM 904 O ASP A 56 3.492 -5.257 9.778 1.00 0.00 O ATOM 905 CB ASP A 56 1.846 -7.363 11.597 1.00 0.00 C ATOM 906 CG ASP A 56 2.000 -8.671 12.375 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.196 -8.580 13.606 1.00 0.00 O ATOM 908 OD2 ASP A 56 1.919 -9.734 11.721 1.00 0.00 O ATOM 0 H ASP A 56 1.929 -5.970 13.658 1.00 0.00 H new ATOM 0 HA ASP A 56 3.914 -6.804 11.802 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.880 -6.923 11.844 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.829 -7.592 10.531 1.00 0.00 H new ATOM 913 N HIS A 57 1.921 -4.281 11.080 1.00 0.00 N ATOM 914 CA HIS A 57 1.691 -3.175 10.166 1.00 0.00 C ATOM 915 C HIS A 57 2.998 -2.411 9.945 1.00 0.00 C ATOM 916 O HIS A 57 3.403 -2.182 8.806 1.00 0.00 O ATOM 917 CB HIS A 57 0.559 -2.278 10.672 1.00 0.00 C ATOM 918 CG HIS A 57 -0.815 -2.888 10.534 1.00 0.00 C ATOM 919 ND1 HIS A 57 -1.939 -2.143 10.222 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.235 -4.179 10.669 1.00 0.00 C ATOM 921 CE1 HIS A 57 -2.982 -2.958 10.174 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.544 -4.220 10.451 1.00 0.00 N ATOM 0 H HIS A 57 1.354 -4.259 11.928 1.00 0.00 H new ATOM 0 HA HIS A 57 1.367 -3.560 9.199 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.737 -2.042 11.721 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.584 -1.336 10.125 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.609 -5.025 10.912 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.000 -2.673 9.954 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.126 -5.057 10.485 1.00 0.00 H new ATOM 930 N ALA A 58 3.623 -2.038 11.053 1.00 0.00 N ATOM 931 CA ALA A 58 4.876 -1.304 10.994 1.00 0.00 C ATOM 932 C ALA A 58 5.949 -2.188 10.356 1.00 0.00 C ATOM 933 O ALA A 58 6.819 -1.695 9.639 1.00 0.00 O ATOM 934 CB ALA A 58 5.262 -0.841 12.400 1.00 0.00 C ATOM 0 H ALA A 58 3.285 -2.230 11.996 1.00 0.00 H new ATOM 0 HA ALA A 58 4.771 -0.413 10.375 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.202 -0.290 12.357 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.480 -0.194 12.797 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.380 -1.709 13.049 1.00 0.00 H new ATOM 940 N ARG A 59 5.854 -3.479 10.640 1.00 0.00 N ATOM 941 CA ARG A 59 6.806 -4.435 10.103 1.00 0.00 C ATOM 942 C ARG A 59 6.705 -4.486 8.577 1.00 0.00 C ATOM 943 O ARG A 59 7.716 -4.602 7.887 1.00 0.00 O ATOM 944 CB ARG A 59 6.560 -5.835 10.670 1.00 0.00 C ATOM 945 CG ARG A 59 7.477 -6.112 11.863 1.00 0.00 C ATOM 946 CD ARG A 59 8.023 -7.541 11.815 1.00 0.00 C ATOM 947 NE ARG A 59 7.494 -8.323 12.954 1.00 0.00 N ATOM 948 CZ ARG A 59 7.809 -8.091 14.235 1.00 0.00 C ATOM 949 NH1 ARG A 59 8.653 -7.099 14.549 1.00 0.00 N ATOM 950 NH2 ARG A 59 7.281 -8.852 15.204 1.00 0.00 N ATOM 0 H ARG A 59 5.132 -3.885 11.235 1.00 0.00 H new ATOM 0 HA ARG A 59 7.804 -4.107 10.394 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.519 -5.929 10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.732 -6.581 9.894 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.305 -5.403 11.863 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.927 -5.960 12.792 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.741 -8.016 10.875 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.112 -7.524 11.849 1.00 0.00 H new ATOM 0 HE ARG A 59 6.849 -9.087 12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.056 -6.520 13.812 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.892 -6.923 15.525 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.639 -9.608 14.966 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.521 -8.675 16.179 1.00 0.00 H new ATOM 964 N LEU A 60 5.474 -4.395 8.094 1.00 0.00 N ATOM 965 CA LEU A 60 5.227 -4.429 6.663 1.00 0.00 C ATOM 966 C LEU A 60 5.649 -3.095 6.045 1.00 0.00 C ATOM 967 O LEU A 60 6.308 -3.068 5.007 1.00 0.00 O ATOM 968 CB LEU A 60 3.771 -4.805 6.379 1.00 0.00 C ATOM 969 CG LEU A 60 3.340 -4.756 4.912 1.00 0.00 C ATOM 970 CD1 LEU A 60 4.410 -5.366 4.005 1.00 0.00 C ATOM 971 CD2 LEU A 60 1.977 -5.424 4.719 1.00 0.00 C ATOM 0 H LEU A 60 4.637 -4.298 8.669 1.00 0.00 H new ATOM 0 HA LEU A 60 5.830 -5.205 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.597 -5.813 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.126 -4.136 6.949 1.00 0.00 H new ATOM 0 HG LEU A 60 3.231 -3.711 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.078 -5.318 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.340 -4.809 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.575 -6.406 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.694 -5.376 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.035 -6.467 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.230 -4.906 5.320 1.00 0.00 H new ATOM 983 N LYS A 61 5.252 -2.019 6.710 1.00 0.00 N ATOM 984 CA LYS A 61 5.581 -0.685 6.239 1.00 0.00 C ATOM 985 C LYS A 61 7.101 -0.546 6.134 1.00 0.00 C ATOM 986 O LYS A 61 7.608 0.082 5.206 1.00 0.00 O ATOM 987 CB LYS A 61 4.926 0.374 7.130 1.00 0.00 C ATOM 988 CG LYS A 61 5.928 0.934 8.142 1.00 0.00 C ATOM 989 CD LYS A 61 6.736 2.083 7.535 1.00 0.00 C ATOM 990 CE LYS A 61 7.502 2.845 8.618 1.00 0.00 C ATOM 991 NZ LYS A 61 6.968 4.218 8.761 1.00 0.00 N ATOM 0 H LYS A 61 4.706 -2.045 7.571 1.00 0.00 H new ATOM 0 HA LYS A 61 5.176 -0.523 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.536 1.183 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.077 -0.063 7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.398 1.285 9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.603 0.142 8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.436 1.690 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.067 2.765 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.423 2.317 9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.561 2.885 8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.499 4.722 9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.066 4.724 7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.963 4.174 9.026 1.00 0.00 H new ATOM 1005 N LEU A 62 7.786 -1.141 7.100 1.00 0.00 N ATOM 1006 CA LEU A 62 9.237 -1.092 7.128 1.00 0.00 C ATOM 1007 C LEU A 62 9.795 -1.954 5.993 1.00 0.00 C ATOM 1008 O LEU A 62 10.823 -1.623 5.405 1.00 0.00 O ATOM 1009 CB LEU A 62 9.760 -1.483 8.511 1.00 0.00 C ATOM 1010 CG LEU A 62 10.311 -2.904 8.643 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.760 -2.978 8.157 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.160 -3.420 10.076 1.00 0.00 C ATOM 0 H LEU A 62 7.362 -1.660 7.869 1.00 0.00 H new ATOM 0 HA LEU A 62 9.587 -0.074 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.546 -0.782 8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.951 -1.360 9.231 1.00 0.00 H new ATOM 0 HG LEU A 62 9.722 -3.559 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.127 -3.999 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.808 -2.681 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.378 -2.307 8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.559 -4.432 10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.708 -2.768 10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.105 -3.428 10.351 1.00 0.00 H new ATOM 1024 N ALA A 63 9.092 -3.043 5.721 1.00 0.00 N ATOM 1025 CA ALA A 63 9.503 -3.956 4.668 1.00 0.00 C ATOM 1026 C ALA A 63 9.295 -3.285 3.308 1.00 0.00 C ATOM 1027 O ALA A 63 10.083 -3.487 2.385 1.00 0.00 O ATOM 1028 CB ALA A 63 8.727 -5.268 4.796 1.00 0.00 C ATOM 0 H ALA A 63 8.240 -3.314 6.212 1.00 0.00 H new ATOM 0 HA ALA A 63 10.562 -4.195 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.036 -5.952 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.932 -5.719 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.659 -5.069 4.707 1.00 0.00 H new ATOM 1034 N LEU A 64 8.230 -2.502 3.227 1.00 0.00 N ATOM 1035 CA LEU A 64 7.908 -1.801 1.996 1.00 0.00 C ATOM 1036 C LEU A 64 8.919 -0.674 1.776 1.00 0.00 C ATOM 1037 O LEU A 64 9.324 -0.410 0.645 1.00 0.00 O ATOM 1038 CB LEU A 64 6.453 -1.326 2.014 1.00 0.00 C ATOM 1039 CG LEU A 64 5.394 -2.416 2.194 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.125 -2.083 1.407 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.954 -3.791 1.824 1.00 0.00 C ATOM 0 H LEU A 64 7.578 -2.337 3.994 1.00 0.00 H new ATOM 0 HA LEU A 64 7.989 -2.474 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.339 -0.600 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.251 -0.802 1.080 1.00 0.00 H new ATOM 0 HG LEU A 64 5.118 -2.454 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.389 -2.874 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.716 -1.137 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.365 -2.001 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.181 -4.547 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.275 -3.785 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.805 -4.022 2.465 1.00 0.00 H new ATOM 1053 N GLU A 65 9.299 -0.040 2.876 1.00 0.00 N ATOM 1054 CA GLU A 65 10.256 1.052 2.818 1.00 0.00 C ATOM 1055 C GLU A 65 11.572 0.572 2.203 1.00 0.00 C ATOM 1056 O GLU A 65 12.256 1.333 1.520 1.00 0.00 O ATOM 1057 CB GLU A 65 10.486 1.654 4.205 1.00 0.00 C ATOM 1058 CG GLU A 65 9.392 2.666 4.552 1.00 0.00 C ATOM 1059 CD GLU A 65 9.898 3.693 5.567 1.00 0.00 C ATOM 1060 OE1 GLU A 65 11.092 4.049 5.468 1.00 0.00 O ATOM 1061 OE2 GLU A 65 9.078 4.100 6.419 1.00 0.00 O ATOM 0 H GLU A 65 8.961 -0.262 3.813 1.00 0.00 H new ATOM 0 HA GLU A 65 9.845 1.836 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.502 0.860 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.460 2.141 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.063 3.176 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.525 2.145 4.958 1.00 0.00 H new ATOM 1068 N GLY A 66 11.888 -0.687 2.468 1.00 0.00 N ATOM 1069 CA GLY A 66 13.110 -1.277 1.949 1.00 0.00 C ATOM 1070 C GLY A 66 12.990 -1.557 0.450 1.00 0.00 C ATOM 1071 O GLY A 66 13.860 -1.169 -0.329 1.00 0.00 O ATOM 0 H GLY A 66 11.319 -1.315 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.948 -0.605 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.324 -2.205 2.480 1.00 0.00 H new ATOM 1075 N LEU A 67 11.906 -2.228 0.090 1.00 0.00 N ATOM 1076 CA LEU A 67 11.662 -2.564 -1.303 1.00 0.00 C ATOM 1077 C LEU A 67 11.391 -1.281 -2.092 1.00 0.00 C ATOM 1078 O LEU A 67 11.938 -1.089 -3.177 1.00 0.00 O ATOM 1079 CB LEU A 67 10.544 -3.602 -1.415 1.00 0.00 C ATOM 1080 CG LEU A 67 10.934 -4.942 -2.044 1.00 0.00 C ATOM 1081 CD1 LEU A 67 11.303 -5.965 -0.968 1.00 0.00 C ATOM 1082 CD2 LEU A 67 9.829 -5.456 -2.969 1.00 0.00 C ATOM 0 H LEU A 67 11.187 -2.548 0.738 1.00 0.00 H new ATOM 0 HA LEU A 67 12.544 -3.030 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.151 -3.793 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.732 -3.171 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 67 11.821 -4.786 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.576 -6.908 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.147 -5.593 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.450 -6.124 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.132 -6.409 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.911 -5.592 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.656 -4.733 -3.766 1.00 0.00 H new ATOM 1094 N LEU A 68 10.548 -0.437 -1.517 1.00 0.00 N ATOM 1095 CA LEU A 68 10.198 0.822 -2.153 1.00 0.00 C ATOM 1096 C LEU A 68 11.303 1.846 -1.889 1.00 0.00 C ATOM 1097 O LEU A 68 11.278 2.947 -2.438 1.00 0.00 O ATOM 1098 CB LEU A 68 8.811 1.283 -1.701 1.00 0.00 C ATOM 1099 CG LEU A 68 7.629 0.459 -2.216 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.871 -1.037 -2.005 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.318 0.923 -1.579 1.00 0.00 C ATOM 0 H LEU A 68 10.097 -0.600 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 68 10.130 0.697 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.785 1.277 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.673 2.317 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 68 7.540 0.623 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.016 -1.600 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.769 -1.340 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.000 -1.238 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.494 0.321 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.379 0.808 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.146 1.971 -1.823 1.00 0.00 H new ATOM 1113 N GLY A 69 12.246 1.448 -1.048 1.00 0.00 N ATOM 1114 CA GLY A 69 13.358 2.318 -0.704 1.00 0.00 C ATOM 1115 C GLY A 69 12.895 3.769 -0.559 1.00 0.00 C ATOM 1116 O GLY A 69 13.666 4.697 -0.796 1.00 0.00 O ATOM 0 H GLY A 69 12.263 0.535 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.812 1.983 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.127 2.253 -1.474 1.00 0.00 H new ATOM 1120 N VAL A 70 11.637 3.919 -0.171 1.00 0.00 N ATOM 1121 CA VAL A 70 11.061 5.241 0.008 1.00 0.00 C ATOM 1122 C VAL A 70 9.880 5.151 0.976 1.00 0.00 C ATOM 1123 O VAL A 70 9.287 4.087 1.140 1.00 0.00 O ATOM 1124 CB VAL A 70 10.678 5.833 -1.349 1.00 0.00 C ATOM 1125 CG1 VAL A 70 11.889 5.891 -2.284 1.00 0.00 C ATOM 1126 CG2 VAL A 70 9.531 5.047 -1.986 1.00 0.00 C ATOM 0 H VAL A 70 11.000 3.147 0.024 1.00 0.00 H new ATOM 0 HA VAL A 70 11.791 5.919 0.449 1.00 0.00 H new ATOM 0 HB VAL A 70 10.333 6.854 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.589 6.316 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.664 6.514 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.277 4.884 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.278 5.489 -2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.836 4.011 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.660 5.080 -1.332 1.00 0.00 H new ATOM 1136 N ARG A 71 9.574 6.284 1.593 1.00 0.00 N ATOM 1137 CA ARG A 71 8.474 6.347 2.540 1.00 0.00 C ATOM 1138 C ARG A 71 7.302 5.495 2.049 1.00 0.00 C ATOM 1139 O ARG A 71 6.996 5.481 0.858 1.00 0.00 O ATOM 1140 CB ARG A 71 8.001 7.788 2.740 1.00 0.00 C ATOM 1141 CG ARG A 71 6.811 7.846 3.700 1.00 0.00 C ATOM 1142 CD ARG A 71 6.605 9.266 4.232 1.00 0.00 C ATOM 1143 NE ARG A 71 5.591 9.260 5.310 1.00 0.00 N ATOM 1144 CZ ARG A 71 5.776 8.698 6.512 1.00 0.00 C ATOM 1145 NH1 ARG A 71 6.937 8.092 6.797 1.00 0.00 N ATOM 1146 NH2 ARG A 71 4.800 8.741 7.429 1.00 0.00 N ATOM 0 H ARG A 71 10.069 7.165 1.455 1.00 0.00 H new ATOM 0 HA ARG A 71 8.834 5.960 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.819 8.392 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.719 8.219 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.909 7.511 3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.977 7.162 4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.548 9.662 4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.285 9.923 3.424 1.00 0.00 H new ATOM 0 HE ARG A 71 4.695 9.712 5.126 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.680 8.059 6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.078 7.664 7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.916 9.202 7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.941 8.313 8.344 1.00 0.00 H new ATOM 1160 N VAL A 72 6.676 4.807 2.993 1.00 0.00 N ATOM 1161 CA VAL A 72 5.543 3.955 2.671 1.00 0.00 C ATOM 1162 C VAL A 72 4.419 4.209 3.677 1.00 0.00 C ATOM 1163 O VAL A 72 4.651 4.218 4.884 1.00 0.00 O ATOM 1164 CB VAL A 72 5.986 2.491 2.625 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.780 1.557 2.511 1.00 0.00 C ATOM 1166 CG2 VAL A 72 6.974 2.253 1.482 1.00 0.00 C ATOM 0 H VAL A 72 6.932 4.822 3.980 1.00 0.00 H new ATOM 0 HA VAL A 72 5.154 4.193 1.681 1.00 0.00 H new ATOM 0 HB VAL A 72 6.497 2.266 3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.122 0.523 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.128 1.698 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.229 1.784 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.273 1.205 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.500 2.505 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.854 2.880 1.625 1.00 0.00 H new ATOM 1176 N ASP A 73 3.223 4.408 3.141 1.00 0.00 N ATOM 1177 CA ASP A 73 2.061 4.660 3.977 1.00 0.00 C ATOM 1178 C ASP A 73 0.999 3.595 3.701 1.00 0.00 C ATOM 1179 O ASP A 73 0.403 3.571 2.625 1.00 0.00 O ATOM 1180 CB ASP A 73 1.450 6.029 3.670 1.00 0.00 C ATOM 1181 CG ASP A 73 1.504 7.034 4.821 1.00 0.00 C ATOM 1182 OD1 ASP A 73 0.775 6.805 5.810 1.00 0.00 O ATOM 1183 OD2 ASP A 73 2.274 8.010 4.687 1.00 0.00 O ATOM 0 H ASP A 73 3.034 4.400 2.139 1.00 0.00 H new ATOM 0 HA ASP A 73 2.382 4.633 5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.966 6.456 2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.409 5.888 3.379 1.00 0.00 H new ATOM 1188 N ILE A 74 0.794 2.739 4.691 1.00 0.00 N ATOM 1189 CA ILE A 74 -0.186 1.673 4.569 1.00 0.00 C ATOM 1190 C ILE A 74 -1.471 2.083 5.292 1.00 0.00 C ATOM 1191 O ILE A 74 -1.421 2.754 6.322 1.00 0.00 O ATOM 1192 CB ILE A 74 0.399 0.348 5.060 1.00 0.00 C ATOM 1193 CG1 ILE A 74 1.725 0.042 4.361 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.610 -0.791 4.898 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.259 -1.331 4.774 1.00 0.00 C ATOM 0 H ILE A 74 1.290 2.762 5.582 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.445 1.512 3.523 1.00 0.00 H new ATOM 0 HB ILE A 74 0.610 0.442 6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.586 0.072 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.457 0.811 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.169 -1.722 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.506 -0.569 5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.875 -0.895 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.202 -1.523 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.420 -1.350 5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.536 -2.100 4.502 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.592 1.662 4.724 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.887 1.977 5.301 1.00 0.00 C ATOM 1209 C VAL A 75 -4.688 0.686 5.481 1.00 0.00 C ATOM 1210 O VAL A 75 -4.586 -0.231 4.667 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.609 3.012 4.435 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -6.077 3.141 4.843 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.901 4.367 4.496 1.00 0.00 C ATOM 0 H VAL A 75 -2.630 1.105 3.870 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.766 2.425 6.287 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.579 2.664 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.566 3.883 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.574 2.178 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.139 3.454 5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.434 5.084 3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.885 4.723 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.879 4.260 4.133 1.00 0.00 H new ATOM 1223 N SER A 76 -5.467 0.655 6.552 1.00 0.00 N ATOM 1224 CA SER A 76 -6.285 -0.509 6.849 1.00 0.00 C ATOM 1225 C SER A 76 -7.759 -0.194 6.587 1.00 0.00 C ATOM 1226 O SER A 76 -8.312 0.734 7.175 1.00 0.00 O ATOM 1227 CB SER A 76 -6.088 -0.965 8.296 1.00 0.00 C ATOM 1228 OG SER A 76 -6.682 -0.062 9.226 1.00 0.00 O ATOM 0 H SER A 76 -5.549 1.417 7.225 1.00 0.00 H new ATOM 0 HA SER A 76 -5.973 -1.323 6.194 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.522 -1.957 8.426 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.022 -1.053 8.506 1.00 0.00 H new ATOM 0 HG SER A 76 -6.536 -0.389 10.138 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.352 -0.984 5.705 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.751 -0.800 5.358 1.00 0.00 C ATOM 1236 C GLU A 77 -10.560 -0.418 6.600 1.00 0.00 C ATOM 1237 O GLU A 77 -11.359 0.516 6.561 1.00 0.00 O ATOM 1238 CB GLU A 77 -10.322 -2.057 4.698 1.00 0.00 C ATOM 1239 CG GLU A 77 -10.309 -1.929 3.173 1.00 0.00 C ATOM 1240 CD GLU A 77 -11.166 -3.018 2.524 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -10.984 -4.191 2.914 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -11.984 -2.652 1.653 1.00 0.00 O ATOM 0 H GLU A 77 -7.890 -1.753 5.220 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.822 0.014 4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.738 -2.927 4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.342 -2.222 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.683 -0.947 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.285 -2.001 2.807 1.00 0.00 H new ATOM 1249 N ARG A 78 -10.325 -1.160 7.672 1.00 0.00 N ATOM 1250 CA ARG A 78 -11.021 -0.910 8.922 1.00 0.00 C ATOM 1251 C ARG A 78 -10.860 0.554 9.336 1.00 0.00 C ATOM 1252 O ARG A 78 -11.840 1.220 9.668 1.00 0.00 O ATOM 1253 CB ARG A 78 -10.488 -1.811 10.039 1.00 0.00 C ATOM 1254 CG ARG A 78 -11.570 -2.776 10.528 1.00 0.00 C ATOM 1255 CD ARG A 78 -11.201 -3.367 11.890 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.374 -4.837 11.868 1.00 0.00 N ATOM 1257 CZ ARG A 78 -11.012 -5.651 12.868 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -10.455 -5.145 13.976 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -11.207 -6.973 12.760 1.00 0.00 N ATOM 0 H ARG A 78 -9.662 -1.935 7.700 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.076 -1.132 8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.629 -2.376 9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.139 -1.198 10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.523 -2.253 10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.701 -3.579 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.169 -3.118 12.136 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.828 -2.930 12.667 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.795 -5.256 11.039 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.306 -4.139 14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.180 -5.765 14.737 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.631 -7.359 11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.931 -7.593 13.522 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.618 1.012 9.304 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.316 2.385 9.671 1.00 0.00 C ATOM 1275 C GLY A 79 -9.959 3.369 8.692 1.00 0.00 C ATOM 1276 O GLY A 79 -10.401 4.445 9.089 1.00 0.00 O ATOM 0 H GLY A 79 -8.808 0.456 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.677 2.583 10.680 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.236 2.533 9.684 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.990 2.963 7.431 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.572 3.796 6.391 1.00 0.00 C ATOM 1282 C LEU A 80 -12.011 4.149 6.772 1.00 0.00 C ATOM 1283 O LEU A 80 -12.504 3.719 7.814 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.446 3.115 5.027 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.397 3.699 4.079 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.491 3.057 2.694 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.507 5.224 4.013 1.00 0.00 C ATOM 0 H LEU A 80 -9.622 2.069 7.106 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.026 4.735 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.214 2.062 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.416 3.155 4.532 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.409 3.464 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.734 3.490 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.325 1.983 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.480 3.240 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.750 5.614 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.497 5.502 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.352 5.643 5.007 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.643 4.929 5.908 1.00 0.00 N ATOM 1300 CA ALA A 81 -14.016 5.345 6.141 1.00 0.00 C ATOM 1301 C ALA A 81 -14.921 4.720 5.078 1.00 0.00 C ATOM 1302 O ALA A 81 -14.436 4.131 4.113 1.00 0.00 O ATOM 1303 CB ALA A 81 -14.092 6.873 6.147 1.00 0.00 C ATOM 0 H ALA A 81 -12.230 5.284 5.046 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.363 4.998 7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.122 7.185 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.454 7.266 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.754 7.258 5.185 1.00 0.00 H new ATOM 1309 N PRO A 82 -16.255 4.874 5.295 1.00 0.00 N ATOM 1310 CA PRO A 82 -17.232 4.332 4.367 1.00 0.00 C ATOM 1311 C PRO A 82 -17.307 5.178 3.094 1.00 0.00 C ATOM 1312 O PRO A 82 -17.340 4.640 1.988 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.540 4.308 5.142 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.350 5.263 6.309 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.865 5.567 6.427 1.00 0.00 C ATOM 0 HA PRO A 82 -16.972 3.332 4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.373 4.621 4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.767 3.302 5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.916 6.181 6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.723 4.817 7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.675 6.640 6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.461 5.210 7.374 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.332 6.487 3.292 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.403 7.412 2.174 1.00 0.00 C ATOM 1325 C ARG A 83 -16.025 7.570 1.528 1.00 0.00 C ATOM 1326 O ARG A 83 -15.923 7.905 0.348 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.907 8.785 2.625 1.00 0.00 C ATOM 1328 CG ARG A 83 -17.025 9.354 3.737 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.759 9.344 5.079 1.00 0.00 C ATOM 1330 NE ARG A 83 -16.793 9.514 6.187 1.00 0.00 N ATOM 1331 CZ ARG A 83 -17.134 9.553 7.482 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -18.419 9.433 7.841 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -16.189 9.711 8.419 1.00 0.00 N ATOM 0 H ARG A 83 -17.304 6.930 4.211 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.104 7.001 1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -17.916 9.470 1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.935 8.701 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.109 8.768 3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.731 10.373 3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.498 10.145 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.301 8.406 5.199 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.805 9.607 5.950 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -19.138 9.312 7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.678 9.463 8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.210 9.802 8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.448 9.741 9.405 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.999 7.322 2.329 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.632 7.432 1.850 1.00 0.00 C ATOM 1349 C LEU A 84 -13.238 6.135 1.141 1.00 0.00 C ATOM 1350 O LEU A 84 -12.709 6.166 0.030 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.692 7.816 2.995 1.00 0.00 C ATOM 1352 CG LEU A 84 -12.424 9.312 3.169 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -13.543 9.980 3.971 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -11.048 9.553 3.793 1.00 0.00 C ATOM 0 H LEU A 84 -15.087 7.045 3.307 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.549 8.234 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.109 7.431 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.738 7.312 2.840 1.00 0.00 H new ATOM 0 HG LEU A 84 -12.415 9.775 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.328 11.043 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -14.491 9.854 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.608 9.520 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.882 10.624 3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.003 9.074 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.277 9.133 3.147 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.512 5.025 1.811 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.193 3.719 1.258 1.00 0.00 C ATOM 1368 C ARG A 85 -13.794 3.574 -0.141 1.00 0.00 C ATOM 1369 O ARG A 85 -13.097 3.202 -1.084 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.724 2.598 2.153 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.493 1.228 1.512 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.734 0.344 1.645 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.574 -0.584 2.787 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.559 -1.350 3.277 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.780 -1.304 2.727 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -15.322 -2.162 4.316 1.00 0.00 N ATOM 0 H ARG A 85 -13.951 5.003 2.731 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.107 3.639 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.229 2.637 3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.789 2.745 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.243 1.353 0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.642 0.740 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -15.618 0.964 1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.889 -0.221 0.726 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.657 -0.644 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.960 -0.686 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -17.530 -1.887 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -14.392 -2.197 4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.071 -2.745 4.689 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.081 3.874 -0.232 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.783 3.782 -1.500 1.00 0.00 C ATOM 1392 C GLU A 86 -15.069 4.616 -2.565 1.00 0.00 C ATOM 1393 O GLU A 86 -14.911 4.175 -3.702 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.243 4.216 -1.352 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.075 3.123 -0.678 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.561 3.284 -1.005 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.904 3.098 -2.192 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.319 3.591 -0.060 1.00 0.00 O ATOM 0 H GLU A 86 -15.656 4.181 0.552 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.778 2.740 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.296 5.132 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.660 4.442 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.730 2.143 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.930 3.164 0.402 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.656 5.808 -2.159 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.962 6.708 -3.064 1.00 0.00 C ATOM 1407 C GLN A 87 -12.546 6.197 -3.339 1.00 0.00 C ATOM 1408 O GLN A 87 -12.043 6.321 -4.454 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.931 8.132 -2.505 1.00 0.00 C ATOM 1410 CG GLN A 87 -15.152 8.929 -2.968 1.00 0.00 C ATOM 1411 CD GLN A 87 -14.827 10.420 -3.070 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -13.707 10.820 -3.342 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -15.865 11.218 -2.837 1.00 0.00 N ATOM 0 H GLN A 87 -14.789 6.171 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.508 6.735 -4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.906 8.099 -1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.020 8.634 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.486 8.559 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.975 8.780 -2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.776 10.818 -2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.750 12.231 -2.881 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.943 5.632 -2.302 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.595 5.102 -2.418 1.00 0.00 C ATOM 1424 C VAL A 88 -10.587 3.960 -3.437 1.00 0.00 C ATOM 1425 O VAL A 88 -9.716 3.902 -4.303 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.080 4.678 -1.042 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.768 3.900 -1.163 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -9.916 5.889 -0.121 1.00 0.00 C ATOM 0 H VAL A 88 -12.363 5.530 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.913 5.869 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.822 4.016 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.424 3.611 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.929 3.006 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.015 4.528 -1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.549 5.560 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.203 6.587 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.879 6.384 0.004 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.568 3.080 -3.300 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.685 1.944 -4.197 1.00 0.00 C ATOM 1440 C LEU A 89 -11.749 2.444 -5.642 1.00 0.00 C ATOM 1441 O LEU A 89 -11.117 1.873 -6.529 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.873 1.065 -3.798 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.843 0.504 -2.375 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.260 0.239 -1.861 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.962 -0.743 -2.296 1.00 0.00 C ATOM 0 H LEU A 89 -12.289 3.131 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.805 1.306 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.787 1.647 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.932 0.230 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.398 1.254 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.211 -0.159 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.826 1.171 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.754 -0.483 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.958 -1.122 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.354 -1.509 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.944 -0.489 -2.593 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.517 3.506 -5.833 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.672 4.091 -7.154 1.00 0.00 C ATOM 1459 C ARG A 90 -11.303 4.438 -7.744 1.00 0.00 C ATOM 1460 O ARG A 90 -11.152 4.524 -8.962 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.532 5.355 -7.101 1.00 0.00 C ATOM 1462 CG ARG A 90 -13.468 6.118 -8.425 1.00 0.00 C ATOM 1463 CD ARG A 90 -12.550 7.336 -8.312 1.00 0.00 C ATOM 1464 NE ARG A 90 -13.280 8.560 -8.712 1.00 0.00 N ATOM 1465 CZ ARG A 90 -12.770 9.797 -8.640 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -11.524 9.982 -8.183 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -13.505 10.848 -9.025 1.00 0.00 N ATOM 0 H ARG A 90 -13.039 3.977 -5.094 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.169 3.355 -7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.565 5.087 -6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.190 5.998 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.106 5.457 -9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.469 6.438 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.190 7.436 -7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.674 7.201 -8.947 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.231 8.455 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.964 9.181 -7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.135 10.924 -8.128 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.453 10.707 -9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.117 11.790 -8.970 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.341 4.628 -6.853 1.00 0.00 N ATOM 1482 CA GLU A 91 -8.991 4.964 -7.271 1.00 0.00 C ATOM 1483 C GLU A 91 -8.089 3.730 -7.191 1.00 0.00 C ATOM 1484 O GLU A 91 -7.354 3.433 -8.132 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.426 6.111 -6.430 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.231 7.395 -6.644 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.741 8.148 -7.883 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -7.615 8.685 -7.812 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -9.505 8.170 -8.872 1.00 0.00 O ATOM 0 H GLU A 91 -10.470 4.556 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.025 5.300 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.445 5.837 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.383 6.283 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.288 7.152 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.142 8.035 -5.766 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.173 3.046 -6.060 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.374 1.852 -5.846 1.00 0.00 C ATOM 1498 C ALA A 92 -7.400 0.993 -7.111 1.00 0.00 C ATOM 1499 O ALA A 92 -8.431 0.887 -7.773 1.00 0.00 O ATOM 1500 CB ALA A 92 -7.896 1.101 -4.619 1.00 0.00 C ATOM 0 H ALA A 92 -8.783 3.296 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.335 2.116 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.296 0.205 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.828 1.745 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.936 0.817 -4.781 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.253 0.400 -7.409 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.131 -0.447 -8.583 1.00 0.00 C ATOM 1508 C ILE A 93 -5.260 -1.659 -8.244 1.00 0.00 C ATOM 1509 O ILE A 93 -4.139 -1.507 -7.762 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.620 0.363 -9.777 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.246 0.968 -9.481 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.637 1.426 -10.194 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.648 1.609 -10.735 1.00 0.00 C ATOM 0 H ILE A 93 -5.400 0.490 -6.857 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.108 -0.829 -8.881 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.498 -0.314 -10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.336 1.716 -8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.576 0.193 -9.109 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.249 1.987 -11.044 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.573 0.944 -10.474 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.815 2.106 -9.361 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.672 2.031 -10.497 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.537 0.853 -11.512 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.309 2.400 -11.090 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.825 -2.866 -8.517 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.113 -4.103 -8.246 1.00 0.00 C ATOM 1527 C PRO A 94 -4.015 -4.342 -9.285 1.00 0.00 C ATOM 1528 O PRO A 94 -4.303 -4.534 -10.465 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.183 -5.182 -8.253 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.374 -4.583 -8.983 1.00 0.00 C ATOM 1531 CD PRO A 94 -7.150 -3.084 -9.088 1.00 0.00 C ATOM 0 HA PRO A 94 -4.589 -4.087 -7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.828 -6.081 -8.757 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.453 -5.471 -7.237 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.475 -5.024 -9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.298 -4.794 -8.444 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.195 -2.749 -10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.913 -2.530 -8.541 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.779 -4.324 -8.808 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.637 -4.536 -9.680 1.00 0.00 C ATOM 1541 C LEU A 95 -1.597 -6.003 -10.113 1.00 0.00 C ATOM 1542 O LEU A 95 -2.639 -6.644 -10.243 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.350 -4.060 -9.004 1.00 0.00 C ATOM 1544 CG LEU A 95 0.935 -4.776 -9.426 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.998 -3.774 -9.880 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.446 -5.689 -8.309 1.00 0.00 C ATOM 0 H LEU A 95 -2.544 -4.166 -7.828 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.734 -3.938 -10.586 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.231 -2.995 -9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.467 -4.171 -7.926 1.00 0.00 H new ATOM 0 HG LEU A 95 0.707 -5.411 -10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.901 -4.309 -10.174 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.621 -3.204 -10.729 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.230 -3.094 -9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.360 -6.186 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.653 -5.094 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.689 -6.438 -8.076 1.00 0.00 H new