USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 657 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 29 LYS NZ :NH3+ -159:sc= -0.0154 (180deg=-0.299) USER MOD Single : A 37 GLN : amide:sc= -0.633 K(o=-0.63,f=-1.4) USER MOD Single : A 39 GLN : amide:sc= -0.436 K(o=-0.44,f=-4.9!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.657 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 160:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot -120:sc= -3.47! USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.108) USER MOD Single : A 86 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 160:sc= 0.00134 (180deg=-0.0479) USER MOD Single : A 102 MET CE :methyl -156:sc= -1.28 (180deg=-2.43) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 29 -13.069 16.532 6.027 1.00 0.00 N ATOM 2 CA LYS A 29 -13.180 15.823 7.334 1.00 0.00 C ATOM 3 C LYS A 29 -12.812 14.350 7.148 1.00 0.00 C ATOM 4 O LYS A 29 -13.562 13.463 7.503 1.00 0.00 O ATOM 5 CB LYS A 29 -14.616 15.929 7.851 1.00 0.00 C ATOM 6 CG LYS A 29 -14.613 16.567 9.242 1.00 0.00 C ATOM 7 CD LYS A 29 -15.139 18.001 9.147 1.00 0.00 C ATOM 8 CE LYS A 29 -15.466 18.518 10.549 1.00 0.00 C ATOM 9 NZ LYS A 29 -16.718 17.873 11.037 1.00 0.00 N ATOM 0 HA LYS A 29 -12.500 16.279 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.217 16.528 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.072 14.940 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.235 15.985 9.922 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.603 16.565 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.394 18.642 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.030 18.032 8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.643 18.300 11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.586 19.601 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.134 18.452 11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.395 17.791 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.499 16.926 11.406 1.00 0.00 H new ATOM 22 N GLY A 30 -11.662 14.082 6.593 1.00 0.00 N ATOM 23 CA GLY A 30 -11.247 12.666 6.384 1.00 0.00 C ATOM 24 C GLY A 30 -9.851 12.629 5.759 1.00 0.00 C ATOM 25 O GLY A 30 -9.697 12.413 4.574 1.00 0.00 O ATOM 0 H GLY A 30 -10.992 14.782 6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.245 12.133 7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.961 12.159 5.735 1.00 0.00 H new ATOM 29 N ASP A 31 -8.833 12.838 6.548 1.00 0.00 N ATOM 30 CA ASP A 31 -7.448 12.815 5.998 1.00 0.00 C ATOM 31 C ASP A 31 -6.854 11.415 6.167 1.00 0.00 C ATOM 32 O ASP A 31 -6.640 10.950 7.269 1.00 0.00 O ATOM 33 CB ASP A 31 -6.584 13.830 6.750 1.00 0.00 C ATOM 34 CG ASP A 31 -7.103 15.243 6.479 1.00 0.00 C ATOM 35 OD1 ASP A 31 -7.256 15.584 5.318 1.00 0.00 O ATOM 36 OD2 ASP A 31 -7.340 15.960 7.437 1.00 0.00 O ATOM 0 H ASP A 31 -8.900 13.024 7.549 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.474 13.073 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.607 13.622 7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.545 13.746 6.432 1.00 0.00 H new ATOM 41 N GLY A 32 -6.586 10.739 5.084 1.00 0.00 N ATOM 42 CA GLY A 32 -6.006 9.370 5.184 1.00 0.00 C ATOM 43 C GLY A 32 -4.542 9.402 4.744 1.00 0.00 C ATOM 44 O GLY A 32 -4.076 10.368 4.173 1.00 0.00 O ATOM 0 H GLY A 32 -6.744 11.075 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.081 9.006 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.570 8.678 4.558 1.00 0.00 H new ATOM 48 N VAL A 33 -3.811 8.353 5.006 1.00 0.00 N ATOM 49 CA VAL A 33 -2.377 8.325 4.603 1.00 0.00 C ATOM 50 C VAL A 33 -1.953 6.882 4.324 1.00 0.00 C ATOM 51 O VAL A 33 -1.577 6.151 5.219 1.00 0.00 O ATOM 52 CB VAL A 33 -1.518 8.900 5.731 1.00 0.00 C ATOM 53 CG1 VAL A 33 -1.860 8.193 7.044 1.00 0.00 C ATOM 54 CG2 VAL A 33 -0.039 8.682 5.406 1.00 0.00 C ATOM 0 H VAL A 33 -4.145 7.515 5.482 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.242 8.924 3.702 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.716 9.967 5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.248 8.602 7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.914 8.346 7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.662 7.126 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.574 9.091 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.158 7.615 5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.206 9.185 4.470 1.00 0.00 H new ATOM 64 N VAL A 34 -2.011 6.465 3.088 1.00 0.00 N ATOM 65 CA VAL A 34 -1.611 5.069 2.754 1.00 0.00 C ATOM 66 C VAL A 34 -0.096 5.008 2.546 1.00 0.00 C ATOM 67 O VAL A 34 0.424 5.482 1.556 1.00 0.00 O ATOM 68 CB VAL A 34 -2.319 4.629 1.472 1.00 0.00 C ATOM 69 CG1 VAL A 34 -1.788 3.262 1.037 1.00 0.00 C ATOM 70 CG2 VAL A 34 -3.825 4.531 1.730 1.00 0.00 C ATOM 0 H VAL A 34 -2.318 7.030 2.296 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.893 4.405 3.571 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.130 5.359 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.293 2.949 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.716 3.330 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.976 2.531 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.331 4.217 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.012 3.801 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.205 5.505 2.039 1.00 0.00 H new ATOM 80 N ARG A 35 0.616 4.427 3.473 1.00 0.00 N ATOM 81 CA ARG A 35 2.096 4.336 3.328 1.00 0.00 C ATOM 82 C ARG A 35 2.449 3.129 2.458 1.00 0.00 C ATOM 83 O ARG A 35 2.117 2.004 2.775 1.00 0.00 O ATOM 84 CB ARG A 35 2.735 4.175 4.709 1.00 0.00 C ATOM 85 CG ARG A 35 2.178 5.239 5.657 1.00 0.00 C ATOM 86 CD ARG A 35 2.945 5.198 6.979 1.00 0.00 C ATOM 87 NE ARG A 35 2.566 6.375 7.810 1.00 0.00 N ATOM 88 CZ ARG A 35 3.156 6.582 8.956 1.00 0.00 C ATOM 89 NH1 ARG A 35 4.350 7.108 8.989 1.00 0.00 N ATOM 90 NH2 ARG A 35 2.552 6.264 10.067 1.00 0.00 N ATOM 0 H ARG A 35 0.237 4.012 4.324 1.00 0.00 H new ATOM 0 HA ARG A 35 2.472 5.245 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.530 3.179 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.818 4.271 4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.266 6.226 5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.117 5.063 5.835 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.721 4.275 7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.018 5.204 6.789 1.00 0.00 H new ATOM 0 HE ARG A 35 1.846 7.019 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.822 7.357 8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.811 7.270 9.884 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.619 5.854 10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.013 6.426 10.962 1.00 0.00 H new ATOM 104 N ILE A 36 3.120 3.352 1.361 1.00 0.00 N ATOM 105 CA ILE A 36 3.494 2.216 0.472 1.00 0.00 C ATOM 106 C ILE A 36 5.016 2.150 0.340 1.00 0.00 C ATOM 107 O ILE A 36 5.645 3.052 -0.176 1.00 0.00 O ATOM 108 CB ILE A 36 2.871 2.425 -0.910 1.00 0.00 C ATOM 109 CG1 ILE A 36 1.350 2.524 -0.773 1.00 0.00 C ATOM 110 CG2 ILE A 36 3.224 1.242 -1.814 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.831 3.663 -1.652 1.00 0.00 C ATOM 0 H ILE A 36 3.425 4.272 1.042 1.00 0.00 H new ATOM 0 HA ILE A 36 3.126 1.283 0.900 1.00 0.00 H new ATOM 0 HB ILE A 36 3.259 3.345 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.886 1.583 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.079 2.701 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.780 1.391 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.307 1.169 -1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.836 0.322 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.252 3.733 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.286 4.602 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.089 3.466 -2.693 1.00 0.00 H new ATOM 123 N GLN A 37 5.615 1.086 0.803 1.00 0.00 N ATOM 124 CA GLN A 37 7.097 0.962 0.704 1.00 0.00 C ATOM 125 C GLN A 37 7.469 -0.496 0.431 1.00 0.00 C ATOM 126 O GLN A 37 6.766 -1.409 0.818 1.00 0.00 O ATOM 127 CB GLN A 37 7.735 1.415 2.019 1.00 0.00 C ATOM 128 CG GLN A 37 7.235 0.529 3.161 1.00 0.00 C ATOM 129 CD GLN A 37 8.013 0.853 4.438 1.00 0.00 C ATOM 130 OE1 GLN A 37 9.214 1.032 4.402 1.00 0.00 O ATOM 131 NE2 GLN A 37 7.375 0.937 5.573 1.00 0.00 N ATOM 0 H GLN A 37 5.142 0.298 1.245 1.00 0.00 H new ATOM 0 HA GLN A 37 7.461 1.588 -0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.821 1.356 1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.485 2.457 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.169 0.691 3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.362 -0.522 2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.367 0.787 5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.885 1.153 6.430 1.00 0.00 H new ATOM 140 N ARG A 38 8.570 -0.724 -0.232 1.00 0.00 N ATOM 141 CA ARG A 38 8.985 -2.124 -0.528 1.00 0.00 C ATOM 142 C ARG A 38 9.973 -2.599 0.540 1.00 0.00 C ATOM 143 O ARG A 38 11.008 -2.000 0.752 1.00 0.00 O ATOM 144 CB ARG A 38 9.654 -2.178 -1.903 1.00 0.00 C ATOM 145 CG ARG A 38 10.707 -1.073 -2.003 1.00 0.00 C ATOM 146 CD ARG A 38 11.831 -1.522 -2.939 1.00 0.00 C ATOM 147 NE ARG A 38 12.855 -0.445 -3.038 1.00 0.00 N ATOM 148 CZ ARG A 38 14.005 -0.687 -3.606 1.00 0.00 C ATOM 149 NH1 ARG A 38 14.978 -1.211 -2.912 1.00 0.00 N ATOM 150 NH2 ARG A 38 14.181 -0.406 -4.868 1.00 0.00 N ATOM 0 H ARG A 38 9.200 -0.001 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 38 8.108 -2.772 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.119 -3.152 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.907 -2.055 -2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.252 -0.156 -2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.110 -0.849 -1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.287 -2.438 -2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.428 -1.747 -3.926 1.00 0.00 H new ATOM 0 HE ARG A 38 12.657 0.482 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.840 -1.431 -1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.877 -1.400 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.420 0.003 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.080 -0.595 -5.312 1.00 0.00 H new ATOM 164 N GLN A 39 9.661 -3.673 1.213 1.00 0.00 N ATOM 165 CA GLN A 39 10.583 -4.185 2.266 1.00 0.00 C ATOM 166 C GLN A 39 11.677 -5.035 1.617 1.00 0.00 C ATOM 167 O GLN A 39 12.820 -5.014 2.030 1.00 0.00 O ATOM 168 CB GLN A 39 9.796 -5.039 3.262 1.00 0.00 C ATOM 169 CG GLN A 39 10.743 -5.571 4.340 1.00 0.00 C ATOM 170 CD GLN A 39 10.642 -4.691 5.587 1.00 0.00 C ATOM 171 OE1 GLN A 39 9.749 -3.874 5.698 1.00 0.00 O ATOM 172 NE2 GLN A 39 11.527 -4.823 6.537 1.00 0.00 N ATOM 0 H GLN A 39 8.809 -4.217 1.079 1.00 0.00 H new ATOM 0 HA GLN A 39 11.039 -3.345 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.004 -4.446 3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.314 -5.869 2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.487 -6.601 4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.768 -5.577 3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.277 -5.509 6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.469 -4.241 7.372 1.00 0.00 H new ATOM 181 N THR A 40 11.337 -5.785 0.605 1.00 0.00 N ATOM 182 CA THR A 40 12.358 -6.636 -0.068 1.00 0.00 C ATOM 183 C THR A 40 13.032 -7.537 0.967 1.00 0.00 C ATOM 184 O THR A 40 14.240 -7.552 1.100 1.00 0.00 O ATOM 185 CB THR A 40 13.410 -5.743 -0.730 1.00 0.00 C ATOM 186 OG1 THR A 40 12.967 -4.393 -0.704 1.00 0.00 O ATOM 187 CG2 THR A 40 13.620 -6.185 -2.179 1.00 0.00 C ATOM 0 H THR A 40 10.396 -5.845 0.215 1.00 0.00 H new ATOM 0 HA THR A 40 11.875 -7.252 -0.827 1.00 0.00 H new ATOM 0 HB THR A 40 14.352 -5.828 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.640 -3.820 -1.126 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.369 -5.548 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.960 -7.220 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.680 -6.102 -2.725 1.00 0.00 H new ATOM 195 N SER A 41 12.261 -8.290 1.704 1.00 0.00 N ATOM 196 CA SER A 41 12.859 -9.189 2.731 1.00 0.00 C ATOM 197 C SER A 41 12.634 -10.647 2.326 1.00 0.00 C ATOM 198 O SER A 41 11.514 -11.105 2.215 1.00 0.00 O ATOM 199 CB SER A 41 12.197 -8.928 4.084 1.00 0.00 C ATOM 200 OG SER A 41 12.846 -9.705 5.082 1.00 0.00 O ATOM 0 H SER A 41 11.244 -8.321 1.639 1.00 0.00 H new ATOM 0 HA SER A 41 13.929 -8.994 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.259 -7.869 4.334 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.138 -9.183 4.039 1.00 0.00 H new ATOM 0 HG SER A 41 12.425 -9.539 5.951 1.00 0.00 H new ATOM 206 N GLY A 42 13.690 -11.381 2.104 1.00 0.00 N ATOM 207 CA GLY A 42 13.535 -12.809 1.707 1.00 0.00 C ATOM 208 C GLY A 42 14.143 -13.025 0.321 1.00 0.00 C ATOM 209 O GLY A 42 14.627 -12.103 -0.306 1.00 0.00 O ATOM 0 H GLY A 42 14.653 -11.054 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.026 -13.455 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.480 -13.082 1.699 1.00 0.00 H new ATOM 213 N ARG A 43 14.123 -14.237 -0.163 1.00 0.00 N ATOM 214 CA ARG A 43 14.700 -14.512 -1.509 1.00 0.00 C ATOM 215 C ARG A 43 13.862 -15.581 -2.213 1.00 0.00 C ATOM 216 O ARG A 43 14.381 -16.440 -2.897 1.00 0.00 O ATOM 217 CB ARG A 43 16.139 -15.010 -1.355 1.00 0.00 C ATOM 218 CG ARG A 43 17.050 -14.250 -2.320 1.00 0.00 C ATOM 219 CD ARG A 43 18.430 -14.070 -1.686 1.00 0.00 C ATOM 220 NE ARG A 43 18.757 -15.267 -0.861 1.00 0.00 N ATOM 221 CZ ARG A 43 19.804 -15.256 -0.081 1.00 0.00 C ATOM 222 NH1 ARG A 43 20.719 -14.337 -0.230 1.00 0.00 N ATOM 223 NH2 ARG A 43 19.936 -16.164 0.847 1.00 0.00 N ATOM 0 H ARG A 43 13.732 -15.048 0.316 1.00 0.00 H new ATOM 0 HA ARG A 43 14.694 -13.597 -2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 43 16.477 -14.865 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 43 16.188 -16.080 -1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 43 17.138 -14.796 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.617 -13.278 -2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 43 19.183 -13.933 -2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 43 18.443 -13.173 -1.066 1.00 0.00 H new ATOM 0 HE ARG A 43 18.163 -16.095 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 43 20.616 -13.628 -0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 43 21.537 -14.328 0.379 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.221 -16.882 0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 43 20.754 -16.155 1.456 1.00 0.00 H new ATOM 237 N LYS A 44 12.568 -15.536 -2.049 1.00 0.00 N ATOM 238 CA LYS A 44 11.698 -16.550 -2.707 1.00 0.00 C ATOM 239 C LYS A 44 10.841 -15.871 -3.778 1.00 0.00 C ATOM 240 O LYS A 44 9.794 -16.362 -4.152 1.00 0.00 O ATOM 241 CB LYS A 44 10.787 -17.196 -1.661 1.00 0.00 C ATOM 242 CG LYS A 44 11.154 -18.674 -1.507 1.00 0.00 C ATOM 243 CD LYS A 44 9.897 -19.531 -1.668 1.00 0.00 C ATOM 244 CE LYS A 44 10.171 -20.943 -1.149 1.00 0.00 C ATOM 245 NZ LYS A 44 9.540 -21.939 -2.061 1.00 0.00 N ATOM 0 H LYS A 44 12.076 -14.841 -1.488 1.00 0.00 H new ATOM 0 HA LYS A 44 12.320 -17.315 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.892 -16.683 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.744 -17.099 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.897 -18.955 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.603 -18.848 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.068 -19.085 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.602 -19.569 -2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.245 -21.118 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.773 -21.055 -0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.726 -22.899 -1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.513 -21.776 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.940 -21.837 -3.016 1.00 0.00 H new ATOM 259 N GLY A 45 11.276 -14.745 -4.273 1.00 0.00 N ATOM 260 CA GLY A 45 10.484 -14.037 -5.319 1.00 0.00 C ATOM 261 C GLY A 45 11.288 -12.850 -5.853 1.00 0.00 C ATOM 262 O GLY A 45 11.946 -12.941 -6.870 1.00 0.00 O ATOM 0 H GLY A 45 12.144 -14.285 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.242 -14.721 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.538 -13.691 -4.902 1.00 0.00 H new ATOM 266 N LYS A 46 11.242 -11.737 -5.174 1.00 0.00 N ATOM 267 CA LYS A 46 12.005 -10.546 -5.644 1.00 0.00 C ATOM 268 C LYS A 46 11.800 -9.389 -4.664 1.00 0.00 C ATOM 269 O LYS A 46 12.737 -8.893 -4.070 1.00 0.00 O ATOM 270 CB LYS A 46 11.505 -10.135 -7.030 1.00 0.00 C ATOM 271 CG LYS A 46 12.649 -10.246 -8.039 1.00 0.00 C ATOM 272 CD LYS A 46 12.138 -9.879 -9.434 1.00 0.00 C ATOM 273 CE LYS A 46 13.289 -9.963 -10.438 1.00 0.00 C ATOM 274 NZ LYS A 46 12.749 -9.847 -11.823 1.00 0.00 N ATOM 0 H LYS A 46 10.710 -11.601 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 46 13.065 -10.792 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.675 -10.774 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.127 -9.113 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.465 -9.583 -7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.048 -11.260 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.335 -10.555 -9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.721 -8.872 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.009 -9.167 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.820 -10.908 -10.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.531 -9.904 -12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.078 -10.621 -12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.261 -8.935 -11.930 1.00 0.00 H new ATOM 288 N GLY A 47 10.582 -8.954 -4.490 1.00 0.00 N ATOM 289 CA GLY A 47 10.320 -7.829 -3.548 1.00 0.00 C ATOM 290 C GLY A 47 8.905 -7.953 -2.982 1.00 0.00 C ATOM 291 O GLY A 47 8.131 -8.793 -3.396 1.00 0.00 O ATOM 0 H GLY A 47 9.757 -9.329 -4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.049 -7.842 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.434 -6.875 -4.064 1.00 0.00 H new ATOM 295 N VAL A 48 8.560 -7.121 -2.037 1.00 0.00 N ATOM 296 CA VAL A 48 7.194 -7.191 -1.445 1.00 0.00 C ATOM 297 C VAL A 48 6.700 -5.776 -1.137 1.00 0.00 C ATOM 298 O VAL A 48 7.479 -4.858 -0.971 1.00 0.00 O ATOM 299 CB VAL A 48 7.240 -8.008 -0.152 1.00 0.00 C ATOM 300 CG1 VAL A 48 7.500 -9.478 -0.486 1.00 0.00 C ATOM 301 CG2 VAL A 48 8.366 -7.482 0.742 1.00 0.00 C ATOM 0 H VAL A 48 9.165 -6.397 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 48 6.515 -7.668 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 48 6.287 -7.917 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.533 -10.060 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.700 -9.853 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.453 -9.570 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.400 -8.063 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.318 -7.574 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.182 -6.434 0.980 1.00 0.00 H new ATOM 311 N CYS A 49 5.410 -5.592 -1.058 1.00 0.00 N ATOM 312 CA CYS A 49 4.868 -4.237 -0.760 1.00 0.00 C ATOM 313 C CYS A 49 4.087 -4.278 0.555 1.00 0.00 C ATOM 314 O CYS A 49 3.032 -4.874 0.643 1.00 0.00 O ATOM 315 CB CYS A 49 3.937 -3.800 -1.893 1.00 0.00 C ATOM 316 SG CYS A 49 4.743 -2.509 -2.872 1.00 0.00 S ATOM 0 H CYS A 49 4.709 -6.322 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 49 5.691 -3.528 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.693 -4.653 -2.527 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.998 -3.428 -1.483 1.00 0.00 H new ATOM 0 HG CYS A 49 4.179 -2.436 -4.041 1.00 0.00 H new ATOM 322 N LEU A 50 4.598 -3.650 1.579 1.00 0.00 N ATOM 323 CA LEU A 50 3.884 -3.655 2.887 1.00 0.00 C ATOM 324 C LEU A 50 3.003 -2.409 2.993 1.00 0.00 C ATOM 325 O LEU A 50 3.469 -1.294 2.873 1.00 0.00 O ATOM 326 CB LEU A 50 4.906 -3.657 4.025 1.00 0.00 C ATOM 327 CG LEU A 50 5.795 -4.896 3.912 1.00 0.00 C ATOM 328 CD1 LEU A 50 6.718 -4.976 5.129 1.00 0.00 C ATOM 329 CD2 LEU A 50 4.917 -6.148 3.857 1.00 0.00 C ATOM 0 H LEU A 50 5.478 -3.134 1.566 1.00 0.00 H new ATOM 0 HA LEU A 50 3.260 -4.546 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.515 -2.754 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.394 -3.650 4.987 1.00 0.00 H new ATOM 0 HG LEU A 50 6.395 -4.830 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.351 -5.859 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.343 -4.084 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.118 -5.042 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.549 -7.032 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.317 -6.212 4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.258 -6.093 2.990 1.00 0.00 H new ATOM 341 N ILE A 51 1.730 -2.591 3.219 1.00 0.00 N ATOM 342 CA ILE A 51 0.818 -1.419 3.334 1.00 0.00 C ATOM 343 C ILE A 51 0.367 -1.265 4.788 1.00 0.00 C ATOM 344 O ILE A 51 -0.378 -2.073 5.305 1.00 0.00 O ATOM 345 CB ILE A 51 -0.406 -1.636 2.441 1.00 0.00 C ATOM 346 CG1 ILE A 51 0.018 -2.368 1.166 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.017 -0.283 2.072 1.00 0.00 C ATOM 348 CD1 ILE A 51 1.123 -1.575 0.465 1.00 0.00 C ATOM 0 H ILE A 51 1.283 -3.501 3.329 1.00 0.00 H new ATOM 0 HA ILE A 51 1.343 -0.517 3.019 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.144 -2.233 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.373 -3.369 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.837 -2.486 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.888 -0.439 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.319 0.240 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.280 0.315 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.425 -2.097 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.752 -0.583 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.981 -1.480 1.131 1.00 0.00 H new ATOM 360 N THR A 52 0.812 -0.233 5.451 1.00 0.00 N ATOM 361 CA THR A 52 0.408 -0.030 6.871 1.00 0.00 C ATOM 362 C THR A 52 0.590 1.442 7.247 1.00 0.00 C ATOM 363 O THR A 52 1.417 2.137 6.691 1.00 0.00 O ATOM 364 CB THR A 52 1.280 -0.901 7.779 1.00 0.00 C ATOM 365 OG1 THR A 52 1.226 -0.399 9.107 1.00 0.00 O ATOM 366 CG2 THR A 52 2.725 -0.875 7.279 1.00 0.00 C ATOM 0 H THR A 52 1.437 0.478 5.071 1.00 0.00 H new ATOM 0 HA THR A 52 -0.638 -0.310 6.995 1.00 0.00 H new ATOM 0 HB THR A 52 0.912 -1.927 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.782 -0.956 9.690 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.345 -1.495 7.926 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.764 -1.261 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.097 0.150 7.294 1.00 0.00 H new ATOM 374 N GLY A 53 -0.175 1.922 8.189 1.00 0.00 N ATOM 375 CA GLY A 53 -0.044 3.349 8.600 1.00 0.00 C ATOM 376 C GLY A 53 -1.153 4.174 7.944 1.00 0.00 C ATOM 377 O GLY A 53 -0.901 5.184 7.318 1.00 0.00 O ATOM 0 H GLY A 53 -0.884 1.389 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.107 3.433 9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.932 3.735 8.307 1.00 0.00 H new ATOM 381 N VAL A 54 -2.380 3.752 8.083 1.00 0.00 N ATOM 382 CA VAL A 54 -3.504 4.512 7.467 1.00 0.00 C ATOM 383 C VAL A 54 -4.426 5.041 8.567 1.00 0.00 C ATOM 384 O VAL A 54 -5.250 4.324 9.098 1.00 0.00 O ATOM 385 CB VAL A 54 -4.295 3.589 6.538 1.00 0.00 C ATOM 386 CG1 VAL A 54 -5.217 4.426 5.650 1.00 0.00 C ATOM 387 CG2 VAL A 54 -3.324 2.797 5.660 1.00 0.00 C ATOM 0 H VAL A 54 -2.653 2.914 8.596 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.105 5.349 6.894 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.893 2.900 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.780 3.768 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.909 4.991 6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.620 5.116 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.886 2.139 4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.726 3.487 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.666 2.200 6.292 1.00 0.00 H new ATOM 397 N ASP A 55 -4.293 6.292 8.915 1.00 0.00 N ATOM 398 CA ASP A 55 -5.162 6.866 9.980 1.00 0.00 C ATOM 399 C ASP A 55 -6.550 7.155 9.406 1.00 0.00 C ATOM 400 O ASP A 55 -6.754 8.131 8.712 1.00 0.00 O ATOM 401 CB ASP A 55 -4.543 8.166 10.499 1.00 0.00 C ATOM 402 CG ASP A 55 -4.860 8.324 11.987 1.00 0.00 C ATOM 403 OD1 ASP A 55 -5.023 7.312 12.649 1.00 0.00 O ATOM 404 OD2 ASP A 55 -4.933 9.455 12.440 1.00 0.00 O ATOM 0 H ASP A 55 -3.620 6.941 8.507 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.250 6.153 10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.464 8.154 10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.935 9.016 9.941 1.00 0.00 H new ATOM 409 N LEU A 56 -7.507 6.314 9.690 1.00 0.00 N ATOM 410 CA LEU A 56 -8.881 6.542 9.160 1.00 0.00 C ATOM 411 C LEU A 56 -9.906 5.947 10.127 1.00 0.00 C ATOM 412 O LEU A 56 -9.634 5.761 11.297 1.00 0.00 O ATOM 413 CB LEU A 56 -9.019 5.868 7.793 1.00 0.00 C ATOM 414 CG LEU A 56 -9.472 6.899 6.758 1.00 0.00 C ATOM 415 CD1 LEU A 56 -8.562 6.827 5.531 1.00 0.00 C ATOM 416 CD2 LEU A 56 -10.914 6.601 6.341 1.00 0.00 C ATOM 0 H LEU A 56 -7.397 5.479 10.266 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.057 7.613 9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.066 5.431 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.740 5.053 7.849 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.416 7.897 7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.886 7.562 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.535 7.038 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.616 5.829 5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.238 7.335 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.968 5.602 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.564 6.653 7.215 1.00 0.00 H new ATOM 428 N ASP A 57 -11.082 5.646 9.649 1.00 0.00 N ATOM 429 CA ASP A 57 -12.122 5.063 10.543 1.00 0.00 C ATOM 430 C ASP A 57 -11.808 3.587 10.796 1.00 0.00 C ATOM 431 O ASP A 57 -11.163 3.237 11.764 1.00 0.00 O ATOM 432 CB ASP A 57 -13.494 5.185 9.875 1.00 0.00 C ATOM 433 CG ASP A 57 -14.215 6.423 10.409 1.00 0.00 C ATOM 434 OD1 ASP A 57 -13.571 7.219 11.074 1.00 0.00 O ATOM 435 OD2 ASP A 57 -15.398 6.556 10.145 1.00 0.00 O ATOM 0 H ASP A 57 -11.368 5.778 8.679 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.129 5.601 11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.378 5.257 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.087 4.292 10.073 1.00 0.00 H new ATOM 440 N ASP A 58 -12.258 2.720 9.932 1.00 0.00 N ATOM 441 CA ASP A 58 -11.984 1.267 10.121 1.00 0.00 C ATOM 442 C ASP A 58 -12.573 0.483 8.947 1.00 0.00 C ATOM 443 O ASP A 58 -11.924 -0.366 8.368 1.00 0.00 O ATOM 444 CB ASP A 58 -12.627 0.793 11.426 1.00 0.00 C ATOM 445 CG ASP A 58 -11.547 0.225 12.350 1.00 0.00 C ATOM 446 OD1 ASP A 58 -10.473 -0.077 11.857 1.00 0.00 O ATOM 447 OD2 ASP A 58 -11.812 0.103 13.534 1.00 0.00 O ATOM 0 H ASP A 58 -12.804 2.954 9.103 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.908 1.101 10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.139 1.623 11.914 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.379 0.032 11.218 1.00 0.00 H new ATOM 452 N ALA A 59 -13.797 0.760 8.591 1.00 0.00 N ATOM 453 CA ALA A 59 -14.424 0.032 7.453 1.00 0.00 C ATOM 454 C ALA A 59 -13.881 0.587 6.135 1.00 0.00 C ATOM 455 O ALA A 59 -13.899 -0.074 5.116 1.00 0.00 O ATOM 456 CB ALA A 59 -15.942 0.221 7.499 1.00 0.00 C ATOM 0 H ALA A 59 -14.390 1.459 9.039 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.189 -1.030 7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.400 -0.312 6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.329 -0.173 8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -16.179 1.282 7.425 1.00 0.00 H new ATOM 462 N GLU A 60 -13.396 1.799 6.148 1.00 0.00 N ATOM 463 CA GLU A 60 -12.851 2.397 4.897 1.00 0.00 C ATOM 464 C GLU A 60 -11.569 1.664 4.499 1.00 0.00 C ATOM 465 O GLU A 60 -11.219 1.590 3.338 1.00 0.00 O ATOM 466 CB GLU A 60 -12.540 3.877 5.132 1.00 0.00 C ATOM 467 CG GLU A 60 -13.761 4.720 4.759 1.00 0.00 C ATOM 468 CD GLU A 60 -13.521 5.397 3.408 1.00 0.00 C ATOM 469 OE1 GLU A 60 -12.631 4.959 2.698 1.00 0.00 O ATOM 470 OE2 GLU A 60 -14.232 6.342 3.107 1.00 0.00 O ATOM 0 H GLU A 60 -13.354 2.400 6.971 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.587 2.303 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.276 4.043 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.680 4.178 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.649 4.090 4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.945 5.472 5.527 1.00 0.00 H new ATOM 477 N LEU A 61 -10.865 1.119 5.454 1.00 0.00 N ATOM 478 CA LEU A 61 -9.607 0.390 5.129 1.00 0.00 C ATOM 479 C LEU A 61 -9.944 -0.873 4.334 1.00 0.00 C ATOM 480 O LEU A 61 -9.192 -1.301 3.481 1.00 0.00 O ATOM 481 CB LEU A 61 -8.892 0.002 6.425 1.00 0.00 C ATOM 482 CG LEU A 61 -7.723 0.958 6.669 1.00 0.00 C ATOM 483 CD1 LEU A 61 -8.094 1.949 7.774 1.00 0.00 C ATOM 484 CD2 LEU A 61 -6.492 0.156 7.098 1.00 0.00 C ATOM 0 H LEU A 61 -11.107 1.147 6.444 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.957 1.032 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.588 0.041 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.529 -1.024 6.360 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.503 1.504 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.260 2.630 7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.972 2.520 7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.314 1.404 8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.658 0.835 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.714 -0.389 8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.226 -0.551 6.312 1.00 0.00 H new ATOM 496 N THR A 62 -11.071 -1.472 4.606 1.00 0.00 N ATOM 497 CA THR A 62 -11.457 -2.706 3.866 1.00 0.00 C ATOM 498 C THR A 62 -11.825 -2.341 2.427 1.00 0.00 C ATOM 499 O THR A 62 -11.480 -3.036 1.492 1.00 0.00 O ATOM 500 CB THR A 62 -12.662 -3.356 4.551 1.00 0.00 C ATOM 501 OG1 THR A 62 -12.830 -2.792 5.844 1.00 0.00 O ATOM 502 CG2 THR A 62 -12.429 -4.862 4.676 1.00 0.00 C ATOM 0 H THR A 62 -11.741 -1.160 5.309 1.00 0.00 H new ATOM 0 HA THR A 62 -10.621 -3.405 3.862 1.00 0.00 H new ATOM 0 HB THR A 62 -13.558 -3.178 3.957 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.602 -3.206 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.287 -5.324 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.300 -5.294 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.533 -5.044 5.270 1.00 0.00 H new ATOM 510 N LYS A 63 -12.522 -1.253 2.240 1.00 0.00 N ATOM 511 CA LYS A 63 -12.910 -0.844 0.861 1.00 0.00 C ATOM 512 C LYS A 63 -11.655 -0.462 0.073 1.00 0.00 C ATOM 513 O LYS A 63 -11.542 -0.737 -1.105 1.00 0.00 O ATOM 514 CB LYS A 63 -13.855 0.357 0.931 1.00 0.00 C ATOM 515 CG LYS A 63 -14.532 0.554 -0.427 1.00 0.00 C ATOM 516 CD LYS A 63 -15.468 1.762 -0.361 1.00 0.00 C ATOM 517 CE LYS A 63 -16.093 1.999 -1.737 1.00 0.00 C ATOM 518 NZ LYS A 63 -17.176 3.015 -1.622 1.00 0.00 N ATOM 0 H LYS A 63 -12.839 -0.630 2.983 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.414 -1.672 0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.607 0.197 1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.300 1.254 1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.780 0.705 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.094 -0.340 -0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.249 1.590 0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.916 2.646 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.333 2.340 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.495 1.066 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.601 3.176 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.905 2.672 -0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.779 3.907 -1.264 1.00 0.00 H new ATOM 532 N LEU A 64 -10.710 0.170 0.715 1.00 0.00 N ATOM 533 CA LEU A 64 -9.464 0.567 0.003 1.00 0.00 C ATOM 534 C LEU A 64 -8.703 -0.689 -0.426 1.00 0.00 C ATOM 535 O LEU A 64 -8.325 -0.837 -1.571 1.00 0.00 O ATOM 536 CB LEU A 64 -8.586 1.402 0.937 1.00 0.00 C ATOM 537 CG LEU A 64 -7.291 1.783 0.218 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.605 2.754 -0.921 1.00 0.00 C ATOM 539 CD2 LEU A 64 -6.336 2.452 1.209 1.00 0.00 C ATOM 0 H LEU A 64 -10.748 0.428 1.701 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.719 1.157 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.119 2.300 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.359 0.837 1.841 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.824 0.886 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.682 3.025 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.285 2.278 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.072 3.652 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.413 2.724 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.803 3.349 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.111 1.760 2.021 1.00 0.00 H new ATOM 551 N ALA A 65 -8.478 -1.596 0.485 1.00 0.00 N ATOM 552 CA ALA A 65 -7.745 -2.843 0.128 1.00 0.00 C ATOM 553 C ALA A 65 -8.555 -3.627 -0.906 1.00 0.00 C ATOM 554 O ALA A 65 -8.014 -4.373 -1.697 1.00 0.00 O ATOM 555 CB ALA A 65 -7.551 -3.698 1.381 1.00 0.00 C ATOM 0 H ALA A 65 -8.770 -1.527 1.460 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.771 -2.588 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.015 -4.610 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.976 -3.138 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.524 -3.956 1.799 1.00 0.00 H new ATOM 561 N ALA A 66 -9.849 -3.460 -0.907 1.00 0.00 N ATOM 562 CA ALA A 66 -10.694 -4.193 -1.891 1.00 0.00 C ATOM 563 C ALA A 66 -10.524 -3.562 -3.274 1.00 0.00 C ATOM 564 O ALA A 66 -10.554 -4.236 -4.284 1.00 0.00 O ATOM 565 CB ALA A 66 -12.162 -4.107 -1.468 1.00 0.00 C ATOM 0 H ALA A 66 -10.357 -2.848 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.388 -5.239 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.780 -4.643 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.283 -4.554 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.470 -3.062 -1.433 1.00 0.00 H new ATOM 571 N GLU A 67 -10.345 -2.270 -3.327 1.00 0.00 N ATOM 572 CA GLU A 67 -10.173 -1.594 -4.644 1.00 0.00 C ATOM 573 C GLU A 67 -8.755 -1.844 -5.162 1.00 0.00 C ATOM 574 O GLU A 67 -8.507 -1.832 -6.352 1.00 0.00 O ATOM 575 CB GLU A 67 -10.397 -0.090 -4.477 1.00 0.00 C ATOM 576 CG GLU A 67 -11.173 0.448 -5.680 1.00 0.00 C ATOM 577 CD GLU A 67 -11.974 1.682 -5.262 1.00 0.00 C ATOM 578 OE1 GLU A 67 -11.388 2.572 -4.668 1.00 0.00 O ATOM 579 OE2 GLU A 67 -13.161 1.717 -5.544 1.00 0.00 O ATOM 0 H GLU A 67 -10.310 -1.654 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.896 -1.992 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.949 0.106 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.439 0.423 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.484 0.704 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.843 -0.320 -6.066 1.00 0.00 H new ATOM 586 N LEU A 68 -7.822 -2.069 -4.278 1.00 0.00 N ATOM 587 CA LEU A 68 -6.421 -2.319 -4.719 1.00 0.00 C ATOM 588 C LEU A 68 -6.296 -3.757 -5.227 1.00 0.00 C ATOM 589 O LEU A 68 -5.588 -4.030 -6.177 1.00 0.00 O ATOM 590 CB LEU A 68 -5.471 -2.110 -3.539 1.00 0.00 C ATOM 591 CG LEU A 68 -4.614 -0.868 -3.787 1.00 0.00 C ATOM 592 CD1 LEU A 68 -3.904 -0.999 -5.135 1.00 0.00 C ATOM 593 CD2 LEU A 68 -5.510 0.373 -3.802 1.00 0.00 C ATOM 0 H LEU A 68 -7.970 -2.090 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.162 -1.627 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.040 -1.994 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.834 -2.985 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.873 -0.773 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.293 -0.114 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.267 -1.884 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.645 -1.093 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.901 1.259 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.251 0.277 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.018 0.467 -2.842 1.00 0.00 H new ATOM 605 N LYS A 69 -6.977 -4.678 -4.603 1.00 0.00 N ATOM 606 CA LYS A 69 -6.896 -6.097 -5.052 1.00 0.00 C ATOM 607 C LYS A 69 -7.549 -6.233 -6.429 1.00 0.00 C ATOM 608 O LYS A 69 -7.249 -7.138 -7.182 1.00 0.00 O ATOM 609 CB LYS A 69 -7.628 -6.991 -4.050 1.00 0.00 C ATOM 610 CG LYS A 69 -6.960 -8.366 -4.009 1.00 0.00 C ATOM 611 CD LYS A 69 -7.362 -9.090 -2.723 1.00 0.00 C ATOM 612 CE LYS A 69 -8.446 -10.123 -3.036 1.00 0.00 C ATOM 613 NZ LYS A 69 -8.516 -11.120 -1.931 1.00 0.00 N ATOM 0 H LYS A 69 -7.586 -4.510 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.851 -6.400 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.609 -6.536 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.675 -7.092 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.258 -8.953 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.876 -8.257 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.494 -9.580 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.729 -8.373 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.410 -9.629 -3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.225 -10.624 -3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.253 -11.822 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.598 -11.599 -1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.746 -10.635 -1.040 1.00 0.00 H new ATOM 627 N LYS A 70 -8.441 -5.341 -6.763 1.00 0.00 N ATOM 628 CA LYS A 70 -9.113 -5.419 -8.090 1.00 0.00 C ATOM 629 C LYS A 70 -8.058 -5.428 -9.198 1.00 0.00 C ATOM 630 O LYS A 70 -8.258 -5.995 -10.254 1.00 0.00 O ATOM 631 CB LYS A 70 -10.029 -4.206 -8.268 1.00 0.00 C ATOM 632 CG LYS A 70 -11.203 -4.579 -9.176 1.00 0.00 C ATOM 633 CD LYS A 70 -12.508 -4.510 -8.381 1.00 0.00 C ATOM 634 CE LYS A 70 -13.312 -3.286 -8.822 1.00 0.00 C ATOM 635 NZ LYS A 70 -14.609 -3.728 -9.406 1.00 0.00 N ATOM 0 H LYS A 70 -8.733 -4.561 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.704 -6.333 -8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.398 -3.871 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.470 -3.376 -8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.248 -3.900 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.062 -5.583 -9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.091 -5.417 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.293 -4.452 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.489 -2.628 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.747 -2.712 -9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.156 -2.896 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.429 -4.339 -10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.149 -4.258 -8.692 1.00 0.00 H new ATOM 649 N LYS A 71 -6.935 -4.805 -8.966 1.00 0.00 N ATOM 650 CA LYS A 71 -5.868 -4.778 -10.007 1.00 0.00 C ATOM 651 C LYS A 71 -4.526 -5.146 -9.372 1.00 0.00 C ATOM 652 O LYS A 71 -3.550 -4.435 -9.504 1.00 0.00 O ATOM 653 CB LYS A 71 -5.778 -3.373 -10.608 1.00 0.00 C ATOM 654 CG LYS A 71 -7.177 -2.898 -11.008 1.00 0.00 C ATOM 655 CD LYS A 71 -7.180 -1.374 -11.143 1.00 0.00 C ATOM 656 CE LYS A 71 -7.997 -0.762 -10.005 1.00 0.00 C ATOM 657 NZ LYS A 71 -7.478 0.601 -9.698 1.00 0.00 N ATOM 0 H LYS A 71 -6.710 -4.314 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.108 -5.496 -10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.341 -2.684 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.122 -3.380 -11.478 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.473 -3.358 -11.951 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.906 -3.209 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.159 -0.994 -11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.603 -1.084 -12.105 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.049 -0.707 -10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.937 -1.394 -9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.034 1.018 -8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.480 0.536 -9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.558 1.201 -10.543 1.00 0.00 H new ATOM 671 N CYS A 72 -4.470 -6.252 -8.682 1.00 0.00 N ATOM 672 CA CYS A 72 -3.190 -6.664 -8.040 1.00 0.00 C ATOM 673 C CYS A 72 -2.630 -7.893 -8.760 1.00 0.00 C ATOM 674 O CYS A 72 -1.435 -8.110 -8.799 1.00 0.00 O ATOM 675 CB CYS A 72 -3.446 -7.005 -6.571 1.00 0.00 C ATOM 676 SG CYS A 72 -1.874 -7.026 -5.673 1.00 0.00 S ATOM 0 H CYS A 72 -5.254 -6.887 -8.535 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.471 -5.848 -8.104 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.120 -6.271 -6.129 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.935 -7.976 -6.492 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.682 -8.206 -5.161 1.00 0.00 H new ATOM 682 N GLY A 73 -3.484 -8.699 -9.330 1.00 0.00 N ATOM 683 CA GLY A 73 -2.998 -9.912 -10.046 1.00 0.00 C ATOM 684 C GLY A 73 -2.637 -10.998 -9.031 1.00 0.00 C ATOM 685 O GLY A 73 -2.113 -12.037 -9.380 1.00 0.00 O ATOM 0 H GLY A 73 -4.496 -8.570 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.767 -10.277 -10.726 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.127 -9.664 -10.653 1.00 0.00 H new ATOM 689 N CYS A 74 -2.913 -10.767 -7.776 1.00 0.00 N ATOM 690 CA CYS A 74 -2.584 -11.788 -6.741 1.00 0.00 C ATOM 691 C CYS A 74 -2.947 -11.246 -5.357 1.00 0.00 C ATOM 692 O CYS A 74 -2.510 -10.184 -4.961 1.00 0.00 O ATOM 693 CB CYS A 74 -1.087 -12.100 -6.790 1.00 0.00 C ATOM 694 SG CYS A 74 -0.643 -13.152 -5.386 1.00 0.00 S ATOM 0 H CYS A 74 -3.352 -9.916 -7.423 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.151 -12.698 -6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.840 -12.601 -7.726 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.511 -11.175 -6.762 1.00 0.00 H new ATOM 0 HG CYS A 74 0.629 -13.419 -5.429 1.00 0.00 H new ATOM 700 N GLY A 75 -3.745 -11.968 -4.617 1.00 0.00 N ATOM 701 CA GLY A 75 -4.136 -11.494 -3.259 1.00 0.00 C ATOM 702 C GLY A 75 -3.338 -12.257 -2.200 1.00 0.00 C ATOM 703 O GLY A 75 -3.133 -13.450 -2.303 1.00 0.00 O ATOM 0 H GLY A 75 -4.143 -12.865 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.949 -10.424 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.204 -11.646 -3.103 1.00 0.00 H new ATOM 707 N GLY A 76 -2.887 -11.579 -1.180 1.00 0.00 N ATOM 708 CA GLY A 76 -2.103 -12.266 -0.114 1.00 0.00 C ATOM 709 C GLY A 76 -2.887 -12.231 1.198 1.00 0.00 C ATOM 710 O GLY A 76 -3.801 -13.004 1.407 1.00 0.00 O ATOM 0 H GLY A 76 -3.028 -10.579 -1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.903 -13.298 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.137 -11.777 0.014 1.00 0.00 H new ATOM 714 N ALA A 77 -2.539 -11.340 2.085 1.00 0.00 N ATOM 715 CA ALA A 77 -3.267 -11.255 3.383 1.00 0.00 C ATOM 716 C ALA A 77 -3.937 -9.885 3.499 1.00 0.00 C ATOM 717 O ALA A 77 -3.334 -8.864 3.235 1.00 0.00 O ATOM 718 CB ALA A 77 -2.278 -11.441 4.536 1.00 0.00 C ATOM 0 H ALA A 77 -1.782 -10.667 1.967 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.026 -12.036 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.810 -11.379 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.800 -12.417 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.519 -10.660 4.494 1.00 0.00 H new ATOM 724 N VAL A 78 -5.182 -9.853 3.889 1.00 0.00 N ATOM 725 CA VAL A 78 -5.889 -8.547 4.018 1.00 0.00 C ATOM 726 C VAL A 78 -6.460 -8.408 5.430 1.00 0.00 C ATOM 727 O VAL A 78 -7.508 -8.938 5.742 1.00 0.00 O ATOM 728 CB VAL A 78 -7.029 -8.482 3.000 1.00 0.00 C ATOM 729 CG1 VAL A 78 -7.459 -7.027 2.807 1.00 0.00 C ATOM 730 CG2 VAL A 78 -6.552 -9.053 1.663 1.00 0.00 C ATOM 0 H VAL A 78 -5.740 -10.674 4.124 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.185 -7.736 3.831 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.874 -9.066 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.271 -6.981 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.799 -6.619 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.614 -6.443 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.364 -9.007 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.706 -8.469 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.245 -10.090 1.799 1.00 0.00 H new ATOM 740 N LYS A 79 -5.780 -7.696 6.286 1.00 0.00 N ATOM 741 CA LYS A 79 -6.285 -7.519 7.677 1.00 0.00 C ATOM 742 C LYS A 79 -6.615 -6.043 7.912 1.00 0.00 C ATOM 743 O LYS A 79 -5.916 -5.162 7.453 1.00 0.00 O ATOM 744 CB LYS A 79 -5.212 -7.964 8.673 1.00 0.00 C ATOM 745 CG LYS A 79 -4.792 -9.403 8.367 1.00 0.00 C ATOM 746 CD LYS A 79 -3.779 -9.871 9.413 1.00 0.00 C ATOM 747 CE LYS A 79 -3.370 -11.315 9.120 1.00 0.00 C ATOM 748 NZ LYS A 79 -4.480 -12.233 9.500 1.00 0.00 N ATOM 0 H LYS A 79 -4.896 -7.229 6.082 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.182 -8.122 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.348 -7.302 8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.596 -7.895 9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.664 -10.057 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.355 -9.462 7.370 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.902 -9.224 9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.212 -9.800 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.135 -11.430 8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.468 -11.569 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.132 -13.213 9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.832 -11.980 10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.253 -12.148 8.809 1.00 0.00 H new ATOM 762 N ASP A 80 -7.675 -5.765 8.621 1.00 0.00 N ATOM 763 CA ASP A 80 -8.044 -4.345 8.881 1.00 0.00 C ATOM 764 C ASP A 80 -6.907 -3.655 9.639 1.00 0.00 C ATOM 765 O ASP A 80 -6.772 -3.796 10.838 1.00 0.00 O ATOM 766 CB ASP A 80 -9.322 -4.294 9.721 1.00 0.00 C ATOM 767 CG ASP A 80 -9.663 -2.839 10.045 1.00 0.00 C ATOM 768 OD1 ASP A 80 -9.759 -2.053 9.117 1.00 0.00 O ATOM 769 OD2 ASP A 80 -9.821 -2.534 11.216 1.00 0.00 O ATOM 0 H ASP A 80 -8.300 -6.459 9.031 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.213 -3.834 7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.145 -4.759 9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.187 -4.861 10.642 1.00 0.00 H new ATOM 774 N GLY A 81 -6.088 -2.910 8.948 1.00 0.00 N ATOM 775 CA GLY A 81 -4.960 -2.212 9.629 1.00 0.00 C ATOM 776 C GLY A 81 -3.634 -2.662 9.012 1.00 0.00 C ATOM 777 O GLY A 81 -2.689 -1.903 8.927 1.00 0.00 O ATOM 0 H GLY A 81 -6.151 -2.754 7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.072 -1.133 9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.971 -2.435 10.696 1.00 0.00 H new ATOM 781 N VAL A 82 -3.557 -3.891 8.581 1.00 0.00 N ATOM 782 CA VAL A 82 -2.293 -4.390 7.970 1.00 0.00 C ATOM 783 C VAL A 82 -2.615 -5.125 6.667 1.00 0.00 C ATOM 784 O VAL A 82 -3.303 -6.126 6.662 1.00 0.00 O ATOM 785 CB VAL A 82 -1.604 -5.350 8.941 1.00 0.00 C ATOM 786 CG1 VAL A 82 -0.235 -5.746 8.385 1.00 0.00 C ATOM 787 CG2 VAL A 82 -1.421 -4.658 10.294 1.00 0.00 C ATOM 0 H VAL A 82 -4.315 -4.572 8.626 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.632 -3.549 7.760 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.217 -6.243 9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.255 -6.430 9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.362 -6.236 7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.379 -4.854 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.930 -5.340 10.988 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.807 -3.766 10.167 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.395 -4.374 10.692 1.00 0.00 H new ATOM 797 N ILE A 83 -2.125 -4.634 5.562 1.00 0.00 N ATOM 798 CA ILE A 83 -2.407 -5.304 4.260 1.00 0.00 C ATOM 799 C ILE A 83 -1.088 -5.668 3.575 1.00 0.00 C ATOM 800 O ILE A 83 -0.248 -4.824 3.337 1.00 0.00 O ATOM 801 CB ILE A 83 -3.201 -4.355 3.362 1.00 0.00 C ATOM 802 CG1 ILE A 83 -4.557 -4.059 4.007 1.00 0.00 C ATOM 803 CG2 ILE A 83 -3.420 -5.007 1.996 1.00 0.00 C ATOM 804 CD1 ILE A 83 -4.908 -2.584 3.803 1.00 0.00 C ATOM 0 H ILE A 83 -1.542 -3.799 5.504 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.986 -6.210 4.436 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.646 -3.425 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.327 -4.691 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.524 -4.292 5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.986 -4.330 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.455 -5.220 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.975 -5.937 2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.874 -2.373 4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.142 -1.961 4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.958 -2.366 2.736 1.00 0.00 H new ATOM 816 N GLU A 84 -0.899 -6.919 3.253 1.00 0.00 N ATOM 817 CA GLU A 84 0.366 -7.332 2.581 1.00 0.00 C ATOM 818 C GLU A 84 0.087 -7.621 1.105 1.00 0.00 C ATOM 819 O GLU A 84 -0.764 -8.421 0.769 1.00 0.00 O ATOM 820 CB GLU A 84 0.914 -8.593 3.253 1.00 0.00 C ATOM 821 CG GLU A 84 2.290 -8.923 2.671 1.00 0.00 C ATOM 822 CD GLU A 84 3.053 -9.825 3.643 1.00 0.00 C ATOM 823 OE1 GLU A 84 2.602 -9.965 4.768 1.00 0.00 O ATOM 824 OE2 GLU A 84 4.076 -10.359 3.246 1.00 0.00 O ATOM 0 H GLU A 84 -1.565 -7.672 3.426 1.00 0.00 H new ATOM 0 HA GLU A 84 1.099 -6.530 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.989 -8.441 4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.231 -9.428 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.179 -9.421 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.851 -8.005 2.493 1.00 0.00 H new ATOM 831 N ILE A 85 0.797 -6.977 0.220 1.00 0.00 N ATOM 832 CA ILE A 85 0.571 -7.216 -1.234 1.00 0.00 C ATOM 833 C ILE A 85 1.822 -7.846 -1.850 1.00 0.00 C ATOM 834 O ILE A 85 2.935 -7.521 -1.488 1.00 0.00 O ATOM 835 CB ILE A 85 0.275 -5.886 -1.929 1.00 0.00 C ATOM 836 CG1 ILE A 85 -1.016 -5.291 -1.362 1.00 0.00 C ATOM 837 CG2 ILE A 85 0.110 -6.121 -3.431 1.00 0.00 C ATOM 838 CD1 ILE A 85 -2.180 -6.246 -1.631 1.00 0.00 C ATOM 0 H ILE A 85 1.524 -6.296 0.440 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.275 -7.891 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 85 1.100 -5.195 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.911 -5.122 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.214 -4.322 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.101 -5.173 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.029 -6.546 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.715 -6.812 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.099 -5.822 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.290 -6.393 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.982 -7.205 -1.152 1.00 0.00 H new ATOM 850 N GLN A 86 1.647 -8.744 -2.780 1.00 0.00 N ATOM 851 CA GLN A 86 2.825 -9.394 -3.420 1.00 0.00 C ATOM 852 C GLN A 86 2.912 -8.964 -4.885 1.00 0.00 C ATOM 853 O GLN A 86 2.063 -9.293 -5.690 1.00 0.00 O ATOM 854 CB GLN A 86 2.673 -10.915 -3.343 1.00 0.00 C ATOM 855 CG GLN A 86 3.866 -11.583 -4.029 1.00 0.00 C ATOM 856 CD GLN A 86 4.470 -12.632 -3.094 1.00 0.00 C ATOM 857 OE1 GLN A 86 4.442 -12.476 -1.889 1.00 0.00 O ATOM 858 NE2 GLN A 86 5.019 -13.702 -3.601 1.00 0.00 N ATOM 0 H GLN A 86 0.739 -9.056 -3.124 1.00 0.00 H new ATOM 0 HA GLN A 86 3.734 -9.093 -2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.614 -11.233 -2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.744 -11.223 -3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 86 3.548 -12.051 -4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.616 -10.835 -4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.042 -13.833 -4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.425 -14.407 -2.986 1.00 0.00 H new ATOM 867 N GLY A 87 3.932 -8.231 -5.239 1.00 0.00 N ATOM 868 CA GLY A 87 4.071 -7.781 -6.653 1.00 0.00 C ATOM 869 C GLY A 87 5.325 -6.917 -6.794 1.00 0.00 C ATOM 870 O GLY A 87 6.353 -7.198 -6.209 1.00 0.00 O ATOM 0 H GLY A 87 4.675 -7.924 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.135 -8.644 -7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.190 -7.213 -6.953 1.00 0.00 H new ATOM 874 N ASP A 88 5.250 -5.867 -7.565 1.00 0.00 N ATOM 875 CA ASP A 88 6.439 -4.986 -7.742 1.00 0.00 C ATOM 876 C ASP A 88 6.068 -3.800 -8.635 1.00 0.00 C ATOM 877 O ASP A 88 6.360 -3.784 -9.814 1.00 0.00 O ATOM 878 CB ASP A 88 7.571 -5.783 -8.395 1.00 0.00 C ATOM 879 CG ASP A 88 8.918 -5.172 -8.003 1.00 0.00 C ATOM 880 OD1 ASP A 88 8.912 -4.164 -7.317 1.00 0.00 O ATOM 881 OD2 ASP A 88 9.932 -5.724 -8.397 1.00 0.00 O ATOM 0 H ASP A 88 4.417 -5.581 -8.080 1.00 0.00 H new ATOM 0 HA ASP A 88 6.767 -4.619 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.526 -6.825 -8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.458 -5.775 -9.479 1.00 0.00 H new ATOM 886 N LYS A 89 5.427 -2.807 -8.082 1.00 0.00 N ATOM 887 CA LYS A 89 5.039 -1.624 -8.900 1.00 0.00 C ATOM 888 C LYS A 89 4.846 -0.412 -7.985 1.00 0.00 C ATOM 889 O LYS A 89 3.936 0.373 -8.162 1.00 0.00 O ATOM 890 CB LYS A 89 3.730 -1.920 -9.636 1.00 0.00 C ATOM 891 CG LYS A 89 3.932 -3.108 -10.579 1.00 0.00 C ATOM 892 CD LYS A 89 2.676 -3.306 -11.429 1.00 0.00 C ATOM 893 CE LYS A 89 2.822 -4.576 -12.268 1.00 0.00 C ATOM 894 NZ LYS A 89 1.721 -4.639 -13.271 1.00 0.00 N ATOM 0 H LYS A 89 5.155 -2.764 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 89 5.824 -1.411 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.939 -2.141 -8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.412 -1.044 -10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.795 -2.933 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.141 -4.010 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.798 -3.380 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.524 -2.444 -12.079 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.788 -4.582 -12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.793 -5.455 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.820 -5.503 -13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.804 -4.652 -12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.769 -3.806 -13.892 1.00 0.00 H new ATOM 908 N ARG A 90 5.697 -0.254 -7.008 1.00 0.00 N ATOM 909 CA ARG A 90 5.561 0.907 -6.084 1.00 0.00 C ATOM 910 C ARG A 90 5.355 2.186 -6.897 1.00 0.00 C ATOM 911 O ARG A 90 4.689 3.106 -6.467 1.00 0.00 O ATOM 912 CB ARG A 90 6.832 1.038 -5.241 1.00 0.00 C ATOM 913 CG ARG A 90 6.764 2.322 -4.411 1.00 0.00 C ATOM 914 CD ARG A 90 8.123 2.583 -3.761 1.00 0.00 C ATOM 915 NE ARG A 90 8.094 3.899 -3.062 1.00 0.00 N ATOM 916 CZ ARG A 90 9.141 4.310 -2.400 1.00 0.00 C ATOM 917 NH1 ARG A 90 10.237 4.619 -3.038 1.00 0.00 N ATOM 918 NH2 ARG A 90 9.092 4.411 -1.100 1.00 0.00 N ATOM 0 H ARG A 90 6.479 -0.878 -6.810 1.00 0.00 H new ATOM 0 HA ARG A 90 4.704 0.752 -5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.937 0.174 -4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.710 1.056 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.485 3.163 -5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.994 2.232 -3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.358 1.788 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.907 2.578 -4.518 1.00 0.00 H new ATOM 0 HE ARG A 90 7.256 4.479 -3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.275 4.539 -4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.055 4.940 -2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.236 4.169 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.910 4.732 -0.582 1.00 0.00 H new ATOM 932 N ASP A 91 5.921 2.251 -8.071 1.00 0.00 N ATOM 933 CA ASP A 91 5.756 3.471 -8.910 1.00 0.00 C ATOM 934 C ASP A 91 4.267 3.728 -9.150 1.00 0.00 C ATOM 935 O ASP A 91 3.764 4.804 -8.894 1.00 0.00 O ATOM 936 CB ASP A 91 6.461 3.266 -10.253 1.00 0.00 C ATOM 937 CG ASP A 91 7.709 4.149 -10.314 1.00 0.00 C ATOM 938 OD1 ASP A 91 7.557 5.345 -10.496 1.00 0.00 O ATOM 939 OD2 ASP A 91 8.797 3.613 -10.177 1.00 0.00 O ATOM 0 H ASP A 91 6.490 1.513 -8.485 1.00 0.00 H new ATOM 0 HA ASP A 91 6.194 4.327 -8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.737 2.219 -10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.786 3.515 -11.072 1.00 0.00 H new ATOM 944 N LEU A 92 3.557 2.749 -9.641 1.00 0.00 N ATOM 945 CA LEU A 92 2.102 2.939 -9.896 1.00 0.00 C ATOM 946 C LEU A 92 1.380 3.192 -8.571 1.00 0.00 C ATOM 947 O LEU A 92 0.396 3.902 -8.515 1.00 0.00 O ATOM 948 CB LEU A 92 1.531 1.681 -10.554 1.00 0.00 C ATOM 949 CG LEU A 92 0.124 1.972 -11.078 1.00 0.00 C ATOM 950 CD1 LEU A 92 0.198 2.346 -12.560 1.00 0.00 C ATOM 951 CD2 LEU A 92 -0.748 0.725 -10.911 1.00 0.00 C ATOM 0 H LEU A 92 3.922 1.826 -9.876 1.00 0.00 H new ATOM 0 HA LEU A 92 1.958 3.793 -10.557 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.176 1.361 -11.372 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.500 0.863 -9.834 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.310 2.799 -10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.805 2.553 -12.933 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.821 3.232 -12.681 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.631 1.519 -13.123 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.751 0.930 -11.284 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.313 -0.101 -11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.801 0.457 -9.856 1.00 0.00 H new ATOM 963 N LEU A 93 1.862 2.618 -7.503 1.00 0.00 N ATOM 964 CA LEU A 93 1.203 2.827 -6.183 1.00 0.00 C ATOM 965 C LEU A 93 1.193 4.320 -5.848 1.00 0.00 C ATOM 966 O LEU A 93 0.216 4.849 -5.357 1.00 0.00 O ATOM 967 CB LEU A 93 1.974 2.067 -5.102 1.00 0.00 C ATOM 968 CG LEU A 93 1.277 0.736 -4.816 1.00 0.00 C ATOM 969 CD1 LEU A 93 2.320 -0.314 -4.430 1.00 0.00 C ATOM 970 CD2 LEU A 93 0.286 0.917 -3.664 1.00 0.00 C ATOM 0 H LEU A 93 2.683 2.014 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 93 0.178 2.458 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.999 1.890 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.028 2.664 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 93 0.743 0.407 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.823 -1.263 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.027 -0.443 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.854 0.015 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.211 -0.031 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.820 1.246 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.458 1.665 -3.938 1.00 0.00 H new ATOM 982 N LYS A 94 2.273 5.003 -6.110 1.00 0.00 N ATOM 983 CA LYS A 94 2.326 6.460 -5.807 1.00 0.00 C ATOM 984 C LYS A 94 1.311 7.201 -6.680 1.00 0.00 C ATOM 985 O LYS A 94 0.816 8.250 -6.320 1.00 0.00 O ATOM 986 CB LYS A 94 3.731 6.991 -6.096 1.00 0.00 C ATOM 987 CG LYS A 94 3.785 8.489 -5.787 1.00 0.00 C ATOM 988 CD LYS A 94 5.188 9.022 -6.087 1.00 0.00 C ATOM 989 CE LYS A 94 5.250 10.513 -5.754 1.00 0.00 C ATOM 990 NZ LYS A 94 6.556 11.070 -6.208 1.00 0.00 N ATOM 0 H LYS A 94 3.122 4.614 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 94 2.086 6.620 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.464 6.458 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.990 6.815 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.046 9.022 -6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.534 8.665 -4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.928 8.477 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.432 8.863 -7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.429 11.040 -6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.132 10.662 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.598 12.084 -5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.332 10.574 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.650 10.940 -7.236 1.00 0.00 H new ATOM 1004 N SER A 95 0.997 6.663 -7.827 1.00 0.00 N ATOM 1005 CA SER A 95 0.015 7.338 -8.722 1.00 0.00 C ATOM 1006 C SER A 95 -1.395 7.168 -8.153 1.00 0.00 C ATOM 1007 O SER A 95 -2.056 8.127 -7.809 1.00 0.00 O ATOM 1008 CB SER A 95 0.081 6.711 -10.115 1.00 0.00 C ATOM 1009 OG SER A 95 -0.266 7.690 -11.087 1.00 0.00 O ATOM 0 H SER A 95 1.378 5.786 -8.183 1.00 0.00 H new ATOM 0 HA SER A 95 0.254 8.399 -8.789 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.084 6.330 -10.308 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.600 5.862 -10.177 1.00 0.00 H new ATOM 0 HG SER A 95 -0.223 7.292 -11.982 1.00 0.00 H new ATOM 1015 N LEU A 96 -1.861 5.953 -8.051 1.00 0.00 N ATOM 1016 CA LEU A 96 -3.228 5.723 -7.504 1.00 0.00 C ATOM 1017 C LEU A 96 -3.369 6.442 -6.161 1.00 0.00 C ATOM 1018 O LEU A 96 -4.439 6.883 -5.791 1.00 0.00 O ATOM 1019 CB LEU A 96 -3.453 4.223 -7.306 1.00 0.00 C ATOM 1020 CG LEU A 96 -2.324 3.646 -6.450 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -2.629 3.889 -4.971 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -2.209 2.142 -6.706 1.00 0.00 C ATOM 0 H LEU A 96 -1.354 5.110 -8.323 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.968 6.112 -8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.415 4.049 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.485 3.719 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.385 4.133 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.824 3.478 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.712 4.960 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.568 3.402 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.405 1.730 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.149 1.655 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.992 1.968 -7.760 1.00 0.00 H new ATOM 1034 N LEU A 97 -2.297 6.563 -5.427 1.00 0.00 N ATOM 1035 CA LEU A 97 -2.371 7.252 -4.108 1.00 0.00 C ATOM 1036 C LEU A 97 -2.599 8.749 -4.327 1.00 0.00 C ATOM 1037 O LEU A 97 -3.481 9.345 -3.741 1.00 0.00 O ATOM 1038 CB LEU A 97 -1.059 7.042 -3.348 1.00 0.00 C ATOM 1039 CG LEU A 97 -1.360 6.802 -1.868 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -2.018 8.047 -1.271 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -2.309 5.609 -1.729 1.00 0.00 C ATOM 0 H LEU A 97 -1.373 6.215 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.197 6.839 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.518 6.191 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.416 7.915 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.431 6.593 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.232 7.875 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.344 8.898 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.947 8.257 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.525 5.437 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.238 5.819 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.841 4.721 -2.154 1.00 0.00 H new ATOM 1053 N GLU A 98 -1.811 9.363 -5.167 1.00 0.00 N ATOM 1054 CA GLU A 98 -1.984 10.820 -5.422 1.00 0.00 C ATOM 1055 C GLU A 98 -3.333 11.063 -6.102 1.00 0.00 C ATOM 1056 O GLU A 98 -3.811 12.177 -6.174 1.00 0.00 O ATOM 1057 CB GLU A 98 -0.858 11.316 -6.332 1.00 0.00 C ATOM 1058 CG GLU A 98 -0.469 12.741 -5.934 1.00 0.00 C ATOM 1059 CD GLU A 98 0.717 13.203 -6.783 1.00 0.00 C ATOM 1060 OE1 GLU A 98 1.060 12.500 -7.719 1.00 0.00 O ATOM 1061 OE2 GLU A 98 1.262 14.253 -6.482 1.00 0.00 O ATOM 0 H GLU A 98 -1.055 8.918 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.952 11.360 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.006 10.656 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.181 11.293 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.315 13.413 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.208 12.776 -4.876 1.00 0.00 H new ATOM 1068 N ALA A 99 -3.951 10.027 -6.602 1.00 0.00 N ATOM 1069 CA ALA A 99 -5.268 10.200 -7.276 1.00 0.00 C ATOM 1070 C ALA A 99 -6.347 10.471 -6.226 1.00 0.00 C ATOM 1071 O ALA A 99 -7.341 11.117 -6.496 1.00 0.00 O ATOM 1072 CB ALA A 99 -5.616 8.925 -8.048 1.00 0.00 C ATOM 0 H ALA A 99 -3.600 9.070 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.215 11.041 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.580 9.050 -8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.847 8.731 -8.796 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.669 8.084 -7.357 1.00 0.00 H new ATOM 1078 N LYS A 100 -6.160 9.983 -5.030 1.00 0.00 N ATOM 1079 CA LYS A 100 -7.176 10.214 -3.965 1.00 0.00 C ATOM 1080 C LYS A 100 -6.876 11.534 -3.251 1.00 0.00 C ATOM 1081 O LYS A 100 -7.690 12.050 -2.511 1.00 0.00 O ATOM 1082 CB LYS A 100 -7.126 9.065 -2.955 1.00 0.00 C ATOM 1083 CG LYS A 100 -7.860 7.851 -3.527 1.00 0.00 C ATOM 1084 CD LYS A 100 -6.900 7.036 -4.396 1.00 0.00 C ATOM 1085 CE LYS A 100 -7.191 5.545 -4.220 1.00 0.00 C ATOM 1086 NZ LYS A 100 -6.988 4.843 -5.519 1.00 0.00 N ATOM 0 H LYS A 100 -5.348 9.435 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.168 10.261 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.091 8.806 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.586 9.372 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.248 7.233 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.716 8.176 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.012 7.318 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.869 7.251 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.534 5.123 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.214 5.402 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.850 3.827 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.824 4.981 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.149 5.231 -5.996 1.00 0.00 H new ATOM 1100 N GLY A 101 -5.713 12.084 -3.466 1.00 0.00 N ATOM 1101 CA GLY A 101 -5.362 13.370 -2.799 1.00 0.00 C ATOM 1102 C GLY A 101 -5.064 13.115 -1.321 1.00 0.00 C ATOM 1103 O GLY A 101 -5.299 13.957 -0.476 1.00 0.00 O ATOM 0 H GLY A 101 -4.991 11.699 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.494 13.818 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.184 14.079 -2.898 1.00 0.00 H new ATOM 1107 N MET A 102 -4.548 11.960 -1.001 1.00 0.00 N ATOM 1108 CA MET A 102 -4.236 11.653 0.423 1.00 0.00 C ATOM 1109 C MET A 102 -2.749 11.904 0.685 1.00 0.00 C ATOM 1110 O MET A 102 -1.967 12.067 -0.230 1.00 0.00 O ATOM 1111 CB MET A 102 -4.564 10.186 0.712 1.00 0.00 C ATOM 1112 CG MET A 102 -6.028 9.912 0.365 1.00 0.00 C ATOM 1113 SD MET A 102 -6.806 8.993 1.716 1.00 0.00 S ATOM 1114 CE MET A 102 -5.595 7.652 1.805 1.00 0.00 C ATOM 0 H MET A 102 -4.329 11.216 -1.664 1.00 0.00 H new ATOM 0 HA MET A 102 -4.833 12.294 1.072 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.913 9.535 0.128 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.380 9.961 1.763 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.555 10.851 0.199 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.093 9.342 -0.562 1.00 0.00 H new ATOM 0 HE1 MET A 102 -6.060 6.770 2.246 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.242 7.413 0.802 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.752 7.964 2.421 1.00 0.00 H new ATOM 1124 N LYS A 103 -2.354 11.937 1.928 1.00 0.00 N ATOM 1125 CA LYS A 103 -0.918 12.178 2.247 1.00 0.00 C ATOM 1126 C LYS A 103 -0.162 10.848 2.230 1.00 0.00 C ATOM 1127 O LYS A 103 -0.104 10.143 3.218 1.00 0.00 O ATOM 1128 CB LYS A 103 -0.804 12.812 3.635 1.00 0.00 C ATOM 1129 CG LYS A 103 -0.492 14.303 3.491 1.00 0.00 C ATOM 1130 CD LYS A 103 0.092 14.831 4.803 1.00 0.00 C ATOM 1131 CE LYS A 103 0.318 16.340 4.690 1.00 0.00 C ATOM 1132 NZ LYS A 103 1.779 16.629 4.744 1.00 0.00 N ATOM 0 H LYS A 103 -2.963 11.808 2.736 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.488 12.850 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.734 12.676 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -0.019 12.319 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.215 14.460 2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.399 14.852 3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.586 14.615 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.033 14.327 5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.103 16.713 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.196 16.857 5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.933 17.655 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.167 16.287 5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.258 16.147 3.956 1.00 0.00 H new ATOM 1146 N VAL A 104 0.419 10.499 1.114 1.00 0.00 N ATOM 1147 CA VAL A 104 1.171 9.215 1.036 1.00 0.00 C ATOM 1148 C VAL A 104 2.586 9.418 1.581 1.00 0.00 C ATOM 1149 O VAL A 104 3.240 10.399 1.286 1.00 0.00 O ATOM 1150 CB VAL A 104 1.247 8.757 -0.422 1.00 0.00 C ATOM 1151 CG1 VAL A 104 2.170 9.693 -1.204 1.00 0.00 C ATOM 1152 CG2 VAL A 104 1.800 7.332 -0.479 1.00 0.00 C ATOM 0 H VAL A 104 0.405 11.047 0.254 1.00 0.00 H new ATOM 0 HA VAL A 104 0.659 8.457 1.629 1.00 0.00 H new ATOM 0 HB VAL A 104 0.250 8.779 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.224 9.367 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.777 10.709 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.167 9.671 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.855 7.004 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.797 7.311 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.143 6.664 0.078 1.00 0.00 H new ATOM 1162 N LYS A 105 3.063 8.499 2.374 1.00 0.00 N ATOM 1163 CA LYS A 105 4.436 8.641 2.937 1.00 0.00 C ATOM 1164 C LYS A 105 5.381 7.671 2.226 1.00 0.00 C ATOM 1165 O LYS A 105 5.553 6.541 2.639 1.00 0.00 O ATOM 1166 CB LYS A 105 4.409 8.322 4.434 1.00 0.00 C ATOM 1167 CG LYS A 105 5.067 9.463 5.211 1.00 0.00 C ATOM 1168 CD LYS A 105 4.019 10.164 6.077 1.00 0.00 C ATOM 1169 CE LYS A 105 4.409 11.631 6.264 1.00 0.00 C ATOM 1170 NZ LYS A 105 3.276 12.370 6.891 1.00 0.00 N ATOM 0 H LYS A 105 2.562 7.656 2.657 1.00 0.00 H new ATOM 0 HA LYS A 105 4.786 9.663 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.381 8.185 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 105 4.934 7.386 4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.870 9.075 5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.518 10.175 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.038 10.095 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.944 9.671 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.297 11.705 6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.660 12.077 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.540 13.368 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.439 12.309 6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.057 11.949 7.816 1.00 0.00 H new ATOM 1184 N LEU A 106 5.997 8.103 1.159 1.00 0.00 N ATOM 1185 CA LEU A 106 6.931 7.205 0.424 1.00 0.00 C ATOM 1186 C LEU A 106 8.024 6.715 1.376 1.00 0.00 C ATOM 1187 O LEU A 106 9.030 7.368 1.569 1.00 0.00 O ATOM 1188 CB LEU A 106 7.570 7.973 -0.735 1.00 0.00 C ATOM 1189 CG LEU A 106 6.511 8.265 -1.799 1.00 0.00 C ATOM 1190 CD1 LEU A 106 7.004 9.387 -2.715 1.00 0.00 C ATOM 1191 CD2 LEU A 106 6.261 7.004 -2.629 1.00 0.00 C ATOM 0 H LEU A 106 5.894 9.038 0.765 1.00 0.00 H new ATOM 0 HA LEU A 106 6.380 6.349 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.003 8.905 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.384 7.390 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 106 5.584 8.572 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.249 9.595 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.184 10.286 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.931 9.080 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.506 7.211 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.188 6.698 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.910 6.203 -1.978 1.00 0.00 H new ATOM 1203 N ALA A 107 7.835 5.570 1.972 1.00 0.00 N ATOM 1204 CA ALA A 107 8.864 5.041 2.911 1.00 0.00 C ATOM 1205 C ALA A 107 9.965 4.336 2.116 1.00 0.00 C ATOM 1206 O ALA A 107 9.723 3.365 1.428 1.00 0.00 O ATOM 1207 CB ALA A 107 8.212 4.044 3.873 1.00 0.00 C ATOM 0 H ALA A 107 7.013 4.978 1.850 1.00 0.00 H new ATOM 0 HA ALA A 107 9.296 5.865 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 107 8.964 3.657 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.427 4.545 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.780 3.220 3.305 1.00 0.00 H new ATOM 1213 N GLY A 108 11.175 4.818 2.206 1.00 0.00 N ATOM 1214 CA GLY A 108 12.290 4.175 1.455 1.00 0.00 C ATOM 1215 C GLY A 108 13.618 4.487 2.146 1.00 0.00 C ATOM 1216 O GLY A 108 13.651 4.951 3.269 1.00 0.00 O ATOM 0 H GLY A 108 11.439 5.628 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.137 3.097 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.308 4.539 0.428 1.00 0.00 H new ATOM 1220 N GLY A 109 14.715 4.237 1.485 1.00 0.00 N ATOM 1221 CA GLY A 109 16.040 4.520 2.105 1.00 0.00 C ATOM 1222 C GLY A 109 17.132 3.762 1.348 1.00 0.00 C ATOM 1223 O GLY A 109 16.863 2.821 0.629 1.00 0.00 O ATOM 0 H GLY A 109 14.751 3.849 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 109 16.243 5.591 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 109 16.034 4.220 3.153 1.00 0.00 H new ATOM 1227 N LEU A 110 18.364 4.166 1.503 1.00 0.00 N ATOM 1228 CA LEU A 110 19.471 3.468 0.791 1.00 0.00 C ATOM 1229 C LEU A 110 20.814 3.928 1.362 1.00 0.00 C ATOM 1230 O LEU A 110 20.942 5.028 1.863 1.00 0.00 O ATOM 1231 CB LEU A 110 19.409 3.802 -0.701 1.00 0.00 C ATOM 1232 CG LEU A 110 19.575 5.310 -0.894 1.00 0.00 C ATOM 1233 CD1 LEU A 110 20.993 5.610 -1.385 1.00 0.00 C ATOM 1234 CD2 LEU A 110 18.563 5.806 -1.929 1.00 0.00 C ATOM 0 H LEU A 110 18.651 4.948 2.091 1.00 0.00 H new ATOM 0 HA LEU A 110 19.368 2.391 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 110 20.193 3.268 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.457 3.474 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 110 19.404 5.818 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 110 21.111 6.685 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.715 5.257 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.165 5.102 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.681 6.881 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.734 5.297 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 110 17.552 5.594 -1.580 1.00 0.00 H new ATOM 1246 N GLU A 111 21.816 3.096 1.290 1.00 0.00 N ATOM 1247 CA GLU A 111 23.149 3.487 1.829 1.00 0.00 C ATOM 1248 C GLU A 111 24.240 2.667 1.136 1.00 0.00 C ATOM 1249 O GLU A 111 25.132 3.270 0.563 1.00 0.00 O ATOM 1250 CB GLU A 111 23.190 3.219 3.335 1.00 0.00 C ATOM 1251 CG GLU A 111 24.303 4.052 3.972 1.00 0.00 C ATOM 1252 CD GLU A 111 24.718 3.418 5.302 1.00 0.00 C ATOM 1253 OE1 GLU A 111 24.538 2.220 5.446 1.00 0.00 O ATOM 1254 OE2 GLU A 111 25.207 4.142 6.153 1.00 0.00 O ATOM 0 H GLU A 111 21.770 2.163 0.881 1.00 0.00 H new ATOM 0 HA GLU A 111 23.318 4.548 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 111 22.230 3.470 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 111 23.362 2.159 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 111 25.160 4.108 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 111 23.959 5.073 4.135 1.00 0.00 H new TER 1261 GLU A 111