USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 584 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -46:sc= -0.438 USER MOD Single : A 67 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 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.072 K(o=-0.072,f=-2.3) USER MOD Single : A 81 THR OG1 : rot -85:sc= 0.0484 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.896 K(o=-0.9,f=-3.4!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc=-0.000473 K(o=-0.00047,f=-0.61) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 21.821 0.787 -4.128 1.00 0.00 N ATOM 2 CA ALA A 47 21.059 1.869 -4.814 1.00 0.00 C ATOM 3 C ALA A 47 19.586 1.483 -4.873 1.00 0.00 C ATOM 4 O ALA A 47 19.240 0.302 -4.936 1.00 0.00 O ATOM 5 CB ALA A 47 21.572 2.096 -6.238 1.00 0.00 C ATOM 0 HA ALA A 47 21.192 2.791 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 47 20.995 2.891 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 47 22.624 2.381 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 47 21.463 1.177 -6.815 1.00 0.00 H new ATOM 13 N GLY A 48 18.721 2.492 -4.852 1.00 0.00 N ATOM 14 CA GLY A 48 17.281 2.250 -4.905 1.00 0.00 C ATOM 15 C GLY A 48 16.519 3.561 -5.058 1.00 0.00 C ATOM 16 O GLY A 48 16.037 3.893 -6.141 1.00 0.00 O ATOM 0 H GLY A 48 18.987 3.475 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.049 1.589 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.959 1.741 -3.997 1.00 0.00 H new ATOM 20 N ALA A 49 16.413 4.303 -3.958 1.00 0.00 N ATOM 21 CA ALA A 49 15.705 5.582 -3.973 1.00 0.00 C ATOM 22 C ALA A 49 14.246 5.381 -4.369 1.00 0.00 C ATOM 23 O ALA A 49 13.915 5.284 -5.551 1.00 0.00 O ATOM 24 CB ALA A 49 16.361 6.549 -4.962 1.00 0.00 C ATOM 0 H ALA A 49 16.804 4.044 -3.052 1.00 0.00 H new ATOM 0 HA ALA A 49 15.754 6.003 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.820 7.495 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 49 17.397 6.722 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.334 6.119 -5.963 1.00 0.00 H new ATOM 30 N GLY A 50 13.376 5.319 -3.364 1.00 0.00 N ATOM 31 CA GLY A 50 11.950 5.127 -3.614 1.00 0.00 C ATOM 32 C GLY A 50 11.192 4.943 -2.305 1.00 0.00 C ATOM 33 O GLY A 50 10.817 3.830 -1.939 1.00 0.00 O ATOM 0 H GLY A 50 13.629 5.398 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.551 5.987 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.802 4.255 -4.251 1.00 0.00 H new ATOM 37 N LYS A 51 10.970 6.051 -1.603 1.00 0.00 N ATOM 38 CA LYS A 51 10.253 6.004 -0.331 1.00 0.00 C ATOM 39 C LYS A 51 9.130 7.036 -0.316 1.00 0.00 C ATOM 40 O LYS A 51 9.319 8.188 -0.704 1.00 0.00 O ATOM 41 CB LYS A 51 11.206 6.286 0.832 1.00 0.00 C ATOM 42 CG LYS A 51 12.358 5.279 0.802 1.00 0.00 C ATOM 43 CD LYS A 51 13.595 5.900 1.455 1.00 0.00 C ATOM 44 CE LYS A 51 14.636 4.811 1.715 1.00 0.00 C ATOM 45 NZ LYS A 51 16.018 5.371 1.727 1.00 0.00 N ATOM 0 H LYS A 51 11.272 6.982 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 51 9.831 5.005 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.595 7.302 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.672 6.216 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.073 4.369 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.580 4.995 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.013 6.670 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.320 6.386 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.429 4.328 2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.560 4.042 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.701 4.607 1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.223 5.810 0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.096 6.087 2.477 1.00 0.00 H new ATOM 59 N ALA A 52 7.957 6.606 0.138 1.00 0.00 N ATOM 60 CA ALA A 52 6.802 7.498 0.203 1.00 0.00 C ATOM 61 C ALA A 52 7.077 8.657 1.155 1.00 0.00 C ATOM 62 O ALA A 52 8.127 8.719 1.796 1.00 0.00 O ATOM 63 CB ALA A 52 5.565 6.737 0.687 1.00 0.00 C ATOM 0 H ALA A 52 7.781 5.656 0.464 1.00 0.00 H new ATOM 0 HA ALA A 52 6.620 7.887 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.714 7.416 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.345 5.923 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.754 6.329 1.680 1.00 0.00 H new ATOM 69 N GLY A 53 6.119 9.574 1.241 1.00 0.00 N ATOM 70 CA GLY A 53 6.261 10.732 2.119 1.00 0.00 C ATOM 71 C GLY A 53 5.770 12.001 1.429 1.00 0.00 C ATOM 72 O GLY A 53 6.435 13.036 1.457 1.00 0.00 O ATOM 0 H GLY A 53 5.243 9.540 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.695 10.570 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.306 10.850 2.406 1.00 0.00 H new ATOM 76 N GLU A 54 4.598 11.908 0.807 1.00 0.00 N ATOM 77 CA GLU A 54 4.023 13.053 0.110 1.00 0.00 C ATOM 78 C GLU A 54 2.581 12.760 -0.293 1.00 0.00 C ATOM 79 O GLU A 54 2.111 13.198 -1.344 1.00 0.00 O ATOM 80 CB GLU A 54 4.839 13.376 -1.144 1.00 0.00 C ATOM 81 CG GLU A 54 4.797 14.882 -1.408 1.00 0.00 C ATOM 82 CD GLU A 54 3.683 15.197 -2.400 1.00 0.00 C ATOM 83 OE1 GLU A 54 3.761 14.718 -3.520 1.00 0.00 O ATOM 84 OE2 GLU A 54 2.768 15.913 -2.026 1.00 0.00 O ATOM 0 H GLU A 54 4.033 11.060 0.771 1.00 0.00 H new ATOM 0 HA GLU A 54 4.043 13.908 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.870 13.048 -1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.438 12.835 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.630 15.420 -0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.755 15.219 -1.803 1.00 0.00 H new ATOM 91 N GLY A 55 1.882 12.012 0.557 1.00 0.00 N ATOM 92 CA GLY A 55 0.491 11.662 0.282 1.00 0.00 C ATOM 93 C GLY A 55 0.335 10.154 0.114 1.00 0.00 C ATOM 94 O GLY A 55 -0.695 9.578 0.463 1.00 0.00 O ATOM 0 H GLY A 55 2.250 11.640 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.144 12.009 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.155 12.170 -0.622 1.00 0.00 H new ATOM 98 N GLU A 56 1.372 9.523 -0.429 1.00 0.00 N ATOM 99 CA GLU A 56 1.345 8.078 -0.644 1.00 0.00 C ATOM 100 C GLU A 56 1.657 7.339 0.653 1.00 0.00 C ATOM 101 O GLU A 56 2.486 7.778 1.452 1.00 0.00 O ATOM 102 CB GLU A 56 2.368 7.675 -1.706 1.00 0.00 C ATOM 103 CG GLU A 56 2.034 8.368 -3.028 1.00 0.00 C ATOM 104 CD GLU A 56 3.315 8.588 -3.826 1.00 0.00 C ATOM 105 OE1 GLU A 56 3.838 7.617 -4.347 1.00 0.00 O ATOM 106 OE2 GLU A 56 3.753 9.723 -3.904 1.00 0.00 O ATOM 0 H GLU A 56 2.233 9.982 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 56 0.345 7.808 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.372 7.951 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.362 6.593 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.335 7.760 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.544 9.323 -2.837 1.00 0.00 H new ATOM 113 N ILE A 57 0.986 6.207 0.850 1.00 0.00 N ATOM 114 CA ILE A 57 1.198 5.406 2.053 1.00 0.00 C ATOM 115 C ILE A 57 2.483 4.577 1.917 1.00 0.00 C ATOM 116 O ILE A 57 2.575 3.717 1.042 1.00 0.00 O ATOM 117 CB ILE A 57 0.018 4.457 2.276 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.289 5.254 2.261 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.169 3.759 3.630 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.475 4.288 2.227 1.00 0.00 C ATOM 0 H ILE A 57 0.298 5.826 0.200 1.00 0.00 H new ATOM 0 HA ILE A 57 1.286 6.084 2.902 1.00 0.00 H new ATOM 0 HB ILE A 57 0.001 3.711 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.350 5.890 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.317 5.911 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.672 3.084 3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.099 3.190 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.188 4.505 4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.406 4.855 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.416 3.671 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.449 3.649 3.110 1.00 0.00 H new ATOM 132 N PRO A 58 3.489 4.819 2.772 1.00 0.00 N ATOM 133 CA PRO A 58 4.757 4.074 2.715 1.00 0.00 C ATOM 134 C PRO A 58 4.603 2.632 3.192 1.00 0.00 C ATOM 135 O PRO A 58 3.932 2.359 4.187 1.00 0.00 O ATOM 136 CB PRO A 58 5.684 4.847 3.650 1.00 0.00 C ATOM 137 CG PRO A 58 4.776 5.545 4.602 1.00 0.00 C ATOM 138 CD PRO A 58 3.500 5.817 3.859 1.00 0.00 C ATOM 0 HA PRO A 58 5.133 4.002 1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.365 4.176 4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.299 5.558 3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.588 4.928 5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.224 6.474 4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.631 5.707 4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.478 6.833 3.466 1.00 0.00 H new ATOM 146 N ALA A 59 5.235 1.712 2.468 1.00 0.00 N ATOM 147 CA ALA A 59 5.166 0.297 2.822 1.00 0.00 C ATOM 148 C ALA A 59 5.969 0.026 4.097 1.00 0.00 C ATOM 149 O ALA A 59 6.974 0.687 4.355 1.00 0.00 O ATOM 150 CB ALA A 59 5.722 -0.567 1.688 1.00 0.00 C ATOM 0 H ALA A 59 5.795 1.918 1.641 1.00 0.00 H new ATOM 0 HA ALA A 59 4.120 0.043 2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.663 -1.618 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.138 -0.400 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.762 -0.299 1.503 1.00 0.00 H new ATOM 156 N PRO A 60 5.536 -0.949 4.907 1.00 0.00 N ATOM 157 CA PRO A 60 6.228 -1.295 6.158 1.00 0.00 C ATOM 158 C PRO A 60 7.548 -2.022 5.906 1.00 0.00 C ATOM 159 O PRO A 60 8.483 -1.935 6.702 1.00 0.00 O ATOM 160 CB PRO A 60 5.245 -2.212 6.881 1.00 0.00 C ATOM 161 CG PRO A 60 4.401 -2.804 5.805 1.00 0.00 C ATOM 162 CD PRO A 60 4.348 -1.798 4.692 1.00 0.00 C ATOM 0 HA PRO A 60 6.493 -0.406 6.730 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.768 -2.986 7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.639 -1.655 7.595 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.825 -3.745 5.455 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.400 -3.023 6.176 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.378 -2.283 3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.429 -1.213 4.729 1.00 0.00 H new ATOM 170 N LEU A 61 7.610 -2.740 4.789 1.00 0.00 N ATOM 171 CA LEU A 61 8.818 -3.482 4.438 1.00 0.00 C ATOM 172 C LEU A 61 8.808 -3.850 2.958 1.00 0.00 C ATOM 173 O LEU A 61 7.820 -3.630 2.256 1.00 0.00 O ATOM 174 CB LEU A 61 8.920 -4.762 5.269 1.00 0.00 C ATOM 175 CG LEU A 61 7.668 -5.641 5.274 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.689 -6.568 4.057 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.642 -6.481 6.553 1.00 0.00 C ATOM 0 H LEU A 61 6.847 -2.824 4.117 1.00 0.00 H new ATOM 0 HA LEU A 61 9.677 -2.844 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.757 -5.352 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.157 -4.490 6.298 1.00 0.00 H new ATOM 0 HG LEU A 61 6.781 -5.009 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.797 -7.194 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.709 -5.971 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.576 -7.200 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.750 -7.108 6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.530 -7.112 6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.627 -5.822 7.421 1.00 0.00 H new ATOM 189 N ALA A 62 9.919 -4.411 2.493 1.00 0.00 N ATOM 190 CA ALA A 62 10.033 -4.809 1.092 1.00 0.00 C ATOM 191 C ALA A 62 9.481 -6.218 0.893 1.00 0.00 C ATOM 192 O ALA A 62 10.180 -7.209 1.106 1.00 0.00 O ATOM 193 CB ALA A 62 11.495 -4.779 0.644 1.00 0.00 C ATOM 0 H ALA A 62 10.747 -4.600 3.058 1.00 0.00 H new ATOM 0 HA ALA A 62 9.456 -4.104 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.561 -5.078 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.890 -3.770 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.077 -5.468 1.256 1.00 0.00 H new ATOM 199 N GLY A 63 8.219 -6.295 0.483 1.00 0.00 N ATOM 200 CA GLY A 63 7.578 -7.587 0.257 1.00 0.00 C ATOM 201 C GLY A 63 7.005 -7.669 -1.154 1.00 0.00 C ATOM 202 O GLY A 63 7.569 -7.122 -2.102 1.00 0.00 O ATOM 0 H GLY A 63 7.624 -5.487 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.302 -8.388 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.782 -7.735 0.987 1.00 0.00 H new ATOM 206 N THR A 64 5.875 -8.360 -1.283 1.00 0.00 N ATOM 207 CA THR A 64 5.232 -8.511 -2.585 1.00 0.00 C ATOM 208 C THR A 64 3.725 -8.306 -2.464 1.00 0.00 C ATOM 209 O THR A 64 3.096 -8.759 -1.508 1.00 0.00 O ATOM 210 CB THR A 64 5.501 -9.905 -3.156 1.00 0.00 C ATOM 211 OG1 THR A 64 6.888 -10.198 -3.045 1.00 0.00 O ATOM 212 CG2 THR A 64 5.084 -9.947 -4.626 1.00 0.00 C ATOM 0 H THR A 64 5.391 -8.819 -0.512 1.00 0.00 H new ATOM 0 HA THR A 64 5.648 -7.758 -3.254 1.00 0.00 H new ATOM 0 HB THR A 64 4.926 -10.644 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.064 -11.091 -3.408 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.276 -10.941 -5.031 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.021 -9.721 -4.709 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.657 -9.209 -5.188 1.00 0.00 H new ATOM 220 N VAL A 65 3.155 -7.618 -3.449 1.00 0.00 N ATOM 221 CA VAL A 65 1.717 -7.355 -3.451 1.00 0.00 C ATOM 222 C VAL A 65 0.947 -8.653 -3.674 1.00 0.00 C ATOM 223 O VAL A 65 1.133 -9.338 -4.679 1.00 0.00 O ATOM 224 CB VAL A 65 1.354 -6.361 -4.558 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.113 -5.952 -4.419 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.241 -5.118 -4.440 1.00 0.00 C ATOM 0 H VAL A 65 3.659 -7.235 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 65 1.447 -6.930 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 65 1.510 -6.830 -5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.370 -5.245 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.746 -6.835 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.270 -5.484 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.983 -4.411 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.085 -4.651 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.287 -5.407 -4.540 1.00 0.00 H new ATOM 236 N SER A 66 0.078 -8.982 -2.722 1.00 0.00 N ATOM 237 CA SER A 66 -0.717 -10.203 -2.822 1.00 0.00 C ATOM 238 C SER A 66 -2.121 -9.890 -3.329 1.00 0.00 C ATOM 239 O SER A 66 -2.591 -10.483 -4.300 1.00 0.00 O ATOM 240 CB SER A 66 -0.820 -10.888 -1.459 1.00 0.00 C ATOM 241 OG SER A 66 -1.505 -10.031 -0.554 1.00 0.00 O ATOM 0 H SER A 66 -0.093 -8.428 -1.882 1.00 0.00 H new ATOM 0 HA SER A 66 -0.219 -10.869 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.351 -11.835 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.175 -11.118 -1.078 1.00 0.00 H new ATOM 0 HG SER A 66 -1.146 -9.122 -0.629 1.00 0.00 H new ATOM 247 N LYS A 67 -2.787 -8.954 -2.659 1.00 0.00 N ATOM 248 CA LYS A 67 -4.141 -8.572 -3.049 1.00 0.00 C ATOM 249 C LYS A 67 -4.426 -7.127 -2.650 1.00 0.00 C ATOM 250 O LYS A 67 -3.964 -6.650 -1.613 1.00 0.00 O ATOM 251 CB LYS A 67 -5.167 -9.488 -2.377 1.00 0.00 C ATOM 252 CG LYS A 67 -6.562 -9.199 -2.937 1.00 0.00 C ATOM 253 CD LYS A 67 -6.665 -9.745 -4.363 1.00 0.00 C ATOM 254 CE LYS A 67 -8.087 -10.246 -4.617 1.00 0.00 C ATOM 255 NZ LYS A 67 -8.418 -10.230 -6.070 1.00 0.00 N ATOM 0 H LYS A 67 -2.417 -8.451 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.220 -8.669 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.905 -10.532 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.158 -9.331 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.321 -9.659 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.751 -8.126 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.409 -8.966 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.951 -10.557 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.192 -11.259 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.797 -9.622 -4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.389 -10.575 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.341 -9.258 -6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.755 -10.845 -6.584 1.00 0.00 H new ATOM 269 N ILE A 68 -5.197 -6.437 -3.485 1.00 0.00 N ATOM 270 CA ILE A 68 -5.549 -5.046 -3.214 1.00 0.00 C ATOM 271 C ILE A 68 -6.981 -4.962 -2.696 1.00 0.00 C ATOM 272 O ILE A 68 -7.895 -5.574 -3.250 1.00 0.00 O ATOM 273 CB ILE A 68 -5.421 -4.200 -4.485 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.024 -4.386 -5.086 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.631 -2.724 -4.144 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.065 -4.062 -6.581 1.00 0.00 C ATOM 0 H ILE A 68 -5.588 -6.814 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.863 -4.660 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.175 -4.518 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.310 -3.735 -4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.684 -5.411 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.539 -2.125 -5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.625 -2.587 -3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.879 -2.407 -3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.071 -4.194 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.767 -4.731 -7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.386 -3.030 -6.721 1.00 0.00 H new ATOM 288 N LEU A 69 -7.166 -4.202 -1.620 1.00 0.00 N ATOM 289 CA LEU A 69 -8.493 -4.050 -1.027 1.00 0.00 C ATOM 290 C LEU A 69 -9.138 -2.737 -1.462 1.00 0.00 C ATOM 291 O LEU A 69 -10.361 -2.632 -1.551 1.00 0.00 O ATOM 292 CB LEU A 69 -8.401 -4.078 0.499 1.00 0.00 C ATOM 293 CG LEU A 69 -8.373 -5.472 1.130 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.739 -5.391 2.519 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.802 -6.003 1.254 1.00 0.00 C ATOM 0 H LEU A 69 -6.424 -3.687 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.107 -4.881 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.501 -3.543 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.250 -3.530 0.907 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.787 -6.143 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.719 -6.384 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.721 -5.011 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.324 -4.720 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.783 -6.996 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.387 -5.331 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.256 -6.061 0.265 1.00 0.00 H new ATOM 307 N VAL A 70 -8.306 -1.733 -1.729 1.00 0.00 N ATOM 308 CA VAL A 70 -8.817 -0.430 -2.148 1.00 0.00 C ATOM 309 C VAL A 70 -8.470 -0.157 -3.609 1.00 0.00 C ATOM 310 O VAL A 70 -7.433 -0.591 -4.111 1.00 0.00 O ATOM 311 CB VAL A 70 -8.236 0.683 -1.267 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.624 0.428 0.189 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.709 0.701 -1.384 1.00 0.00 C ATOM 0 H VAL A 70 -7.290 -1.794 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.901 -0.444 -2.039 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.633 1.643 -1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.213 1.217 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.710 0.420 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.226 -0.535 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.305 1.494 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.308 -0.259 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.426 0.880 -2.421 1.00 0.00 H new ATOM 323 N LYS A 71 -9.354 0.573 -4.284 1.00 0.00 N ATOM 324 CA LYS A 71 -9.141 0.908 -5.688 1.00 0.00 C ATOM 325 C LYS A 71 -9.480 2.373 -5.938 1.00 0.00 C ATOM 326 O LYS A 71 -10.107 3.030 -5.107 1.00 0.00 O ATOM 327 CB LYS A 71 -10.015 0.033 -6.588 1.00 0.00 C ATOM 328 CG LYS A 71 -11.473 0.124 -6.131 1.00 0.00 C ATOM 329 CD LYS A 71 -12.399 -0.207 -7.303 1.00 0.00 C ATOM 330 CE LYS A 71 -13.713 0.561 -7.149 1.00 0.00 C ATOM 331 NZ LYS A 71 -14.321 0.870 -8.474 1.00 0.00 N ATOM 0 H LYS A 71 -10.218 0.941 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.091 0.730 -5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.927 0.358 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.675 -1.002 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.650 -0.568 -5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.686 1.126 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.919 0.058 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.594 -1.279 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.412 -0.027 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.533 1.488 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.210 1.391 -8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.663 1.451 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.515 -0.016 -8.982 1.00 0.00 H new ATOM 345 N GLU A 72 -9.060 2.878 -7.095 1.00 0.00 N ATOM 346 CA GLU A 72 -9.325 4.270 -7.446 1.00 0.00 C ATOM 347 C GLU A 72 -10.827 4.523 -7.530 1.00 0.00 C ATOM 348 O GLU A 72 -11.470 4.202 -8.528 1.00 0.00 O ATOM 349 CB GLU A 72 -8.685 4.616 -8.792 1.00 0.00 C ATOM 350 CG GLU A 72 -7.181 4.822 -8.606 1.00 0.00 C ATOM 351 CD GLU A 72 -6.463 4.557 -9.924 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.284 3.397 -10.256 1.00 0.00 O ATOM 353 OE2 GLU A 72 -6.103 5.519 -10.584 1.00 0.00 O ATOM 0 H GLU A 72 -8.541 2.352 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.894 4.899 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.867 3.816 -9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.138 5.519 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.982 5.839 -8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.804 4.151 -7.834 1.00 0.00 H new ATOM 360 N GLY A 73 -11.377 5.104 -6.467 1.00 0.00 N ATOM 361 CA GLY A 73 -12.806 5.398 -6.426 1.00 0.00 C ATOM 362 C GLY A 73 -13.380 5.109 -5.043 1.00 0.00 C ATOM 363 O GLY A 73 -14.316 5.770 -4.593 1.00 0.00 O ATOM 0 H GLY A 73 -10.861 5.378 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.974 6.444 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.327 4.799 -7.173 1.00 0.00 H new ATOM 367 N ASP A 74 -12.808 4.112 -4.374 1.00 0.00 N ATOM 368 CA ASP A 74 -13.270 3.740 -3.039 1.00 0.00 C ATOM 369 C ASP A 74 -12.592 4.604 -1.980 1.00 0.00 C ATOM 370 O ASP A 74 -11.440 5.009 -2.133 1.00 0.00 O ATOM 371 CB ASP A 74 -12.957 2.270 -2.754 1.00 0.00 C ATOM 372 CG ASP A 74 -13.850 1.383 -3.615 1.00 0.00 C ATOM 373 OD1 ASP A 74 -15.014 1.715 -3.767 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.357 0.382 -4.111 1.00 0.00 O ATOM 0 H ASP A 74 -12.033 3.552 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.348 3.896 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.908 2.063 -2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.118 2.051 -1.698 1.00 0.00 H new ATOM 379 N THR A 75 -13.322 4.880 -0.903 1.00 0.00 N ATOM 380 CA THR A 75 -12.784 5.696 0.181 1.00 0.00 C ATOM 381 C THR A 75 -12.273 4.807 1.311 1.00 0.00 C ATOM 382 O THR A 75 -12.816 3.733 1.568 1.00 0.00 O ATOM 383 CB THR A 75 -13.859 6.634 0.734 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.604 7.185 -0.344 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.197 7.762 1.528 1.00 0.00 C ATOM 0 H THR A 75 -14.278 4.555 -0.758 1.00 0.00 H new ATOM 0 HA THR A 75 -11.961 6.287 -0.221 1.00 0.00 H new ATOM 0 HB THR A 75 -14.526 6.075 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.294 7.785 0.008 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.964 8.429 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.626 7.339 2.354 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.528 8.323 0.875 1.00 0.00 H new ATOM 393 N VAL A 76 -11.217 5.265 1.979 1.00 0.00 N ATOM 394 CA VAL A 76 -10.636 4.500 3.079 1.00 0.00 C ATOM 395 C VAL A 76 -10.532 5.359 4.334 1.00 0.00 C ATOM 396 O VAL A 76 -10.651 6.583 4.281 1.00 0.00 O ATOM 397 CB VAL A 76 -9.239 4.002 2.704 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.349 2.981 1.572 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.383 5.184 2.244 1.00 0.00 C ATOM 0 H VAL A 76 -10.751 6.151 1.781 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.288 3.649 3.275 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.775 3.533 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.354 2.626 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.959 2.139 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.813 3.449 0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.387 4.830 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.847 5.653 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.304 5.912 3.051 1.00 0.00 H new ATOM 409 N LYS A 77 -10.303 4.698 5.466 1.00 0.00 N ATOM 410 CA LYS A 77 -10.177 5.403 6.737 1.00 0.00 C ATOM 411 C LYS A 77 -8.880 5.007 7.435 1.00 0.00 C ATOM 412 O LYS A 77 -8.382 3.894 7.267 1.00 0.00 O ATOM 413 CB LYS A 77 -11.360 5.077 7.654 1.00 0.00 C ATOM 414 CG LYS A 77 -11.470 3.562 7.833 1.00 0.00 C ATOM 415 CD LYS A 77 -12.069 3.253 9.207 1.00 0.00 C ATOM 416 CE LYS A 77 -12.580 1.812 9.231 1.00 0.00 C ATOM 417 NZ LYS A 77 -13.089 1.438 10.581 1.00 0.00 N ATOM 0 H LYS A 77 -10.202 3.685 5.529 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.168 6.473 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.226 5.559 8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.283 5.471 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.095 3.137 7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.486 3.102 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.317 3.396 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.885 3.943 9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.375 1.694 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.776 1.134 8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.428 0.455 10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.322 1.528 11.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.872 2.070 10.844 1.00 0.00 H new ATOM 431 N ALA A 78 -8.337 5.934 8.220 1.00 0.00 N ATOM 432 CA ALA A 78 -7.090 5.679 8.941 1.00 0.00 C ATOM 433 C ALA A 78 -7.236 4.471 9.864 1.00 0.00 C ATOM 434 O ALA A 78 -7.754 4.579 10.975 1.00 0.00 O ATOM 435 CB ALA A 78 -6.700 6.899 9.779 1.00 0.00 C ATOM 0 H ALA A 78 -8.735 6.860 8.373 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.314 5.477 8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.770 6.694 10.310 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.562 7.760 9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.489 7.113 10.500 1.00 0.00 H new ATOM 441 N GLY A 79 -6.768 3.319 9.389 1.00 0.00 N ATOM 442 CA GLY A 79 -6.846 2.093 10.180 1.00 0.00 C ATOM 443 C GLY A 79 -7.301 0.918 9.320 1.00 0.00 C ATOM 444 O GLY A 79 -6.828 -0.208 9.481 1.00 0.00 O ATOM 0 H GLY A 79 -6.336 3.208 8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.871 1.874 10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.541 2.233 11.008 1.00 0.00 H new ATOM 448 N GLN A 80 -8.228 1.191 8.407 1.00 0.00 N ATOM 449 CA GLN A 80 -8.747 0.147 7.526 1.00 0.00 C ATOM 450 C GLN A 80 -7.650 -0.371 6.602 1.00 0.00 C ATOM 451 O GLN A 80 -6.792 0.387 6.146 1.00 0.00 O ATOM 452 CB GLN A 80 -9.898 0.691 6.676 1.00 0.00 C ATOM 453 CG GLN A 80 -10.566 -0.460 5.921 1.00 0.00 C ATOM 454 CD GLN A 80 -12.034 -0.128 5.683 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.776 0.150 6.626 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.504 -0.140 4.465 1.00 0.00 N ATOM 0 H GLN A 80 -8.632 2.115 8.257 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.108 -0.670 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.627 1.194 7.312 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.524 1.433 5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.061 -0.626 4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.479 -1.383 6.494 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.890 -0.370 3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.485 0.081 4.295 1.00 0.00 H new ATOM 465 N THR A 81 -7.688 -1.672 6.327 1.00 0.00 N ATOM 466 CA THR A 81 -6.693 -2.287 5.451 1.00 0.00 C ATOM 467 C THR A 81 -6.860 -1.776 4.024 1.00 0.00 C ATOM 468 O THR A 81 -7.979 -1.623 3.531 1.00 0.00 O ATOM 469 CB THR A 81 -6.839 -3.810 5.457 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.073 -4.257 6.786 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.557 -4.449 4.921 1.00 0.00 C ATOM 0 H THR A 81 -8.389 -2.316 6.693 1.00 0.00 H new ATOM 0 HA THR A 81 -5.704 -2.020 5.822 1.00 0.00 H new ATOM 0 HB THR A 81 -7.678 -4.097 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.217 -4.365 7.250 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.662 -5.534 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.378 -4.106 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.716 -4.163 5.553 1.00 0.00 H new ATOM 479 N VAL A 82 -5.735 -1.509 3.369 1.00 0.00 N ATOM 480 CA VAL A 82 -5.766 -1.007 1.999 1.00 0.00 C ATOM 481 C VAL A 82 -5.174 -2.030 1.032 1.00 0.00 C ATOM 482 O VAL A 82 -5.610 -2.146 -0.113 1.00 0.00 O ATOM 483 CB VAL A 82 -4.977 0.303 1.894 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.622 1.358 2.793 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.531 0.074 2.346 1.00 0.00 C ATOM 0 H VAL A 82 -4.800 -1.630 3.759 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.807 -0.827 1.732 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.985 0.645 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.062 2.290 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.651 1.527 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.614 1.010 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.974 1.008 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.523 -0.270 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.066 -0.679 1.710 1.00 0.00 H new ATOM 495 N LEU A 83 -4.168 -2.764 1.500 1.00 0.00 N ATOM 496 CA LEU A 83 -3.518 -3.764 0.658 1.00 0.00 C ATOM 497 C LEU A 83 -2.761 -4.779 1.509 1.00 0.00 C ATOM 498 O LEU A 83 -2.229 -4.450 2.568 1.00 0.00 O ATOM 499 CB LEU A 83 -2.539 -3.083 -0.301 1.00 0.00 C ATOM 500 CG LEU A 83 -1.708 -4.022 -1.183 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.419 -3.344 -2.523 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.384 -4.337 -0.481 1.00 0.00 C ATOM 0 H LEU A 83 -3.789 -2.688 2.444 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.290 -4.283 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.102 -2.411 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.857 -2.466 0.284 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.263 -4.944 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.828 -4.013 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.359 -3.114 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.864 -2.422 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.209 -5.005 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.168 -3.412 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.585 -4.819 0.476 1.00 0.00 H new ATOM 514 N VAL A 84 -2.713 -6.019 1.026 1.00 0.00 N ATOM 515 CA VAL A 84 -2.012 -7.083 1.743 1.00 0.00 C ATOM 516 C VAL A 84 -0.687 -7.393 1.052 1.00 0.00 C ATOM 517 O VAL A 84 -0.606 -7.424 -0.176 1.00 0.00 O ATOM 518 CB VAL A 84 -2.860 -8.356 1.788 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.199 -9.379 2.713 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.257 -8.021 2.320 1.00 0.00 C ATOM 0 H VAL A 84 -3.146 -6.310 0.150 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.828 -6.741 2.761 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.941 -8.772 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.804 -10.285 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.204 -9.619 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.117 -8.962 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.861 -8.928 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.174 -7.605 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.731 -7.292 1.663 1.00 0.00 H new ATOM 530 N LEU A 85 0.352 -7.616 1.852 1.00 0.00 N ATOM 531 CA LEU A 85 1.671 -7.916 1.299 1.00 0.00 C ATOM 532 C LEU A 85 2.154 -9.285 1.769 1.00 0.00 C ATOM 533 O LEU A 85 1.607 -9.867 2.706 1.00 0.00 O ATOM 534 CB LEU A 85 2.682 -6.848 1.728 1.00 0.00 C ATOM 535 CG LEU A 85 2.793 -5.643 0.789 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.136 -4.388 1.597 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.895 -5.901 -0.242 1.00 0.00 C ATOM 0 H LEU A 85 0.309 -7.596 2.871 1.00 0.00 H new ATOM 0 HA LEU A 85 1.588 -7.922 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.410 -6.491 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.664 -7.313 1.814 1.00 0.00 H new ATOM 0 HG LEU A 85 1.841 -5.495 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.214 -3.533 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.352 -4.202 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.086 -4.534 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.975 -5.044 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.845 -6.051 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.650 -6.792 -0.821 1.00 0.00 H new ATOM 549 N GLU A 86 3.187 -9.793 1.101 1.00 0.00 N ATOM 550 CA GLU A 86 3.743 -11.098 1.449 1.00 0.00 C ATOM 551 C GLU A 86 5.267 -11.040 1.477 1.00 0.00 C ATOM 552 O GLU A 86 5.915 -10.861 0.445 1.00 0.00 O ATOM 553 CB GLU A 86 3.304 -12.155 0.434 1.00 0.00 C ATOM 554 CG GLU A 86 1.887 -12.625 0.764 1.00 0.00 C ATOM 555 CD GLU A 86 1.462 -13.701 -0.229 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.132 -14.719 -0.292 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.474 -13.490 -0.914 1.00 0.00 O ATOM 0 H GLU A 86 3.652 -9.326 0.323 1.00 0.00 H new ATOM 0 HA GLU A 86 3.372 -11.367 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.335 -11.741 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.992 -13.000 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.851 -13.018 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.195 -11.784 0.723 1.00 0.00 H new ATOM 564 N ALA A 87 5.832 -11.195 2.671 1.00 0.00 N ATOM 565 CA ALA A 87 7.284 -11.163 2.826 1.00 0.00 C ATOM 566 C ALA A 87 7.721 -12.113 3.937 1.00 0.00 C ATOM 567 O ALA A 87 7.054 -12.241 4.962 1.00 0.00 O ATOM 568 CB ALA A 87 7.756 -9.748 3.168 1.00 0.00 C ATOM 0 H ALA A 87 5.314 -11.343 3.537 1.00 0.00 H new ATOM 0 HA ALA A 87 7.730 -11.476 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.840 -9.743 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.471 -9.066 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.294 -9.426 4.101 1.00 0.00 H new ATOM 574 N MET A 88 8.854 -12.779 3.719 1.00 0.00 N ATOM 575 CA MET A 88 9.379 -13.720 4.707 1.00 0.00 C ATOM 576 C MET A 88 8.381 -14.848 4.955 1.00 0.00 C ATOM 577 O MET A 88 8.268 -15.363 6.067 1.00 0.00 O ATOM 578 CB MET A 88 9.667 -13.006 6.029 1.00 0.00 C ATOM 579 CG MET A 88 10.612 -11.829 5.779 1.00 0.00 C ATOM 580 SD MET A 88 10.429 -10.616 7.110 1.00 0.00 S ATOM 581 CE MET A 88 12.128 -10.701 7.729 1.00 0.00 C ATOM 0 H MET A 88 9.421 -12.686 2.876 1.00 0.00 H new ATOM 0 HA MET A 88 10.306 -14.137 4.313 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.737 -12.651 6.473 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.115 -13.701 6.740 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.643 -12.180 5.731 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.388 -11.367 4.818 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.243 -10.018 8.571 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.346 -11.718 8.055 1.00 0.00 H new ATOM 0 HE3 MET A 88 12.819 -10.418 6.935 1.00 0.00 H new ATOM 591 N LYS A 89 7.656 -15.223 3.904 1.00 0.00 N ATOM 592 CA LYS A 89 6.664 -16.292 4.011 1.00 0.00 C ATOM 593 C LYS A 89 5.586 -15.920 5.025 1.00 0.00 C ATOM 594 O LYS A 89 5.056 -16.775 5.735 1.00 0.00 O ATOM 595 CB LYS A 89 7.328 -17.601 4.445 1.00 0.00 C ATOM 596 CG LYS A 89 7.820 -18.359 3.210 1.00 0.00 C ATOM 597 CD LYS A 89 8.603 -19.598 3.649 1.00 0.00 C ATOM 598 CE LYS A 89 8.443 -20.700 2.600 1.00 0.00 C ATOM 599 NZ LYS A 89 8.552 -22.055 3.213 1.00 0.00 N ATOM 0 H LYS A 89 7.735 -14.807 2.976 1.00 0.00 H new ATOM 0 HA LYS A 89 6.209 -16.426 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.163 -17.393 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.619 -18.213 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.973 -18.652 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.453 -17.713 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.657 -19.350 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.241 -19.946 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.476 -20.598 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.206 -20.585 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.439 -22.780 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.485 -22.159 3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.808 -22.172 3.930 1.00 0.00 H new ATOM 613 N MET A 90 5.267 -14.630 5.085 1.00 0.00 N ATOM 614 CA MET A 90 4.250 -14.148 6.016 1.00 0.00 C ATOM 615 C MET A 90 3.388 -13.076 5.357 1.00 0.00 C ATOM 616 O MET A 90 3.882 -12.241 4.599 1.00 0.00 O ATOM 617 CB MET A 90 4.906 -13.559 7.267 1.00 0.00 C ATOM 618 CG MET A 90 3.931 -13.642 8.443 1.00 0.00 C ATOM 619 SD MET A 90 3.953 -15.317 9.128 1.00 0.00 S ATOM 620 CE MET A 90 4.909 -14.939 10.619 1.00 0.00 C ATOM 0 H MET A 90 5.693 -13.906 4.507 1.00 0.00 H new ATOM 0 HA MET A 90 3.624 -14.995 6.298 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.821 -14.103 7.501 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.189 -12.522 7.088 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.208 -12.920 9.211 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.924 -13.386 8.113 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.045 -15.849 11.204 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.883 -14.540 10.335 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.375 -14.200 11.216 1.00 0.00 H new ATOM 630 N GLU A 91 2.093 -13.109 5.656 1.00 0.00 N ATOM 631 CA GLU A 91 1.164 -12.134 5.090 1.00 0.00 C ATOM 632 C GLU A 91 1.064 -10.909 5.992 1.00 0.00 C ATOM 633 O GLU A 91 0.721 -11.012 7.170 1.00 0.00 O ATOM 634 CB GLU A 91 -0.228 -12.751 4.929 1.00 0.00 C ATOM 635 CG GLU A 91 -0.266 -13.604 3.661 1.00 0.00 C ATOM 636 CD GLU A 91 -1.522 -14.467 3.665 1.00 0.00 C ATOM 637 OE1 GLU A 91 -1.601 -15.360 4.494 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.388 -14.222 2.842 1.00 0.00 O ATOM 0 H GLU A 91 1.665 -13.793 6.281 1.00 0.00 H new ATOM 0 HA GLU A 91 1.543 -11.836 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.469 -13.363 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.981 -11.965 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.255 -12.964 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.621 -14.235 3.608 1.00 0.00 H new ATOM 645 N THR A 92 1.369 -9.745 5.424 1.00 0.00 N ATOM 646 CA THR A 92 1.313 -8.499 6.182 1.00 0.00 C ATOM 647 C THR A 92 0.315 -7.536 5.550 1.00 0.00 C ATOM 648 O THR A 92 0.508 -7.066 4.429 1.00 0.00 O ATOM 649 CB THR A 92 2.690 -7.836 6.223 1.00 0.00 C ATOM 650 OG1 THR A 92 3.692 -8.835 6.353 1.00 0.00 O ATOM 651 CG2 THR A 92 2.764 -6.880 7.414 1.00 0.00 C ATOM 0 H THR A 92 1.655 -9.639 4.451 1.00 0.00 H new ATOM 0 HA THR A 92 0.995 -8.736 7.197 1.00 0.00 H new ATOM 0 HB THR A 92 2.851 -7.277 5.301 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.575 -8.411 6.378 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.746 -6.408 7.442 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.996 -6.113 7.313 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.603 -7.436 8.337 1.00 0.00 H new ATOM 659 N GLU A 93 -0.757 -7.247 6.282 1.00 0.00 N ATOM 660 CA GLU A 93 -1.784 -6.336 5.784 1.00 0.00 C ATOM 661 C GLU A 93 -1.374 -4.886 6.019 1.00 0.00 C ATOM 662 O GLU A 93 -0.762 -4.554 7.035 1.00 0.00 O ATOM 663 CB GLU A 93 -3.121 -6.596 6.484 1.00 0.00 C ATOM 664 CG GLU A 93 -2.929 -6.540 8.001 1.00 0.00 C ATOM 665 CD GLU A 93 -4.198 -6.009 8.656 1.00 0.00 C ATOM 666 OE1 GLU A 93 -4.424 -4.813 8.583 1.00 0.00 O ATOM 667 OE2 GLU A 93 -4.927 -6.806 9.223 1.00 0.00 O ATOM 0 H GLU A 93 -0.937 -7.625 7.212 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.895 -6.513 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.856 -5.853 6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.511 -7.571 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.697 -7.533 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.084 -5.897 8.248 1.00 0.00 H new ATOM 674 N ILE A 94 -1.719 -4.025 5.065 1.00 0.00 N ATOM 675 CA ILE A 94 -1.385 -2.608 5.172 1.00 0.00 C ATOM 676 C ILE A 94 -2.629 -1.800 5.526 1.00 0.00 C ATOM 677 O ILE A 94 -3.664 -1.907 4.870 1.00 0.00 O ATOM 678 CB ILE A 94 -0.808 -2.088 3.850 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.347 -2.995 3.390 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.297 -0.656 4.037 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.460 -3.023 4.447 1.00 0.00 C ATOM 0 H ILE A 94 -2.225 -4.280 4.217 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.638 -2.494 5.958 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.591 -2.095 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.023 -4.005 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.746 -2.634 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.112 -0.290 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.121 -0.014 4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.481 -0.644 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.269 -3.669 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.842 -2.014 4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.061 -3.406 5.386 1.00 0.00 H new ATOM 693 N ASN A 95 -2.516 -0.994 6.577 1.00 0.00 N ATOM 694 CA ASN A 95 -3.638 -0.170 7.016 1.00 0.00 C ATOM 695 C ASN A 95 -3.408 1.287 6.631 1.00 0.00 C ATOM 696 O ASN A 95 -2.287 1.790 6.691 1.00 0.00 O ATOM 697 CB ASN A 95 -3.809 -0.265 8.534 1.00 0.00 C ATOM 698 CG ASN A 95 -4.003 -1.725 8.933 1.00 0.00 C ATOM 699 OD1 ASN A 95 -3.256 -2.599 8.497 1.00 0.00 O ATOM 700 ND2 ASN A 95 -4.974 -2.042 9.747 1.00 0.00 N ATOM 0 H ASN A 95 -1.669 -0.894 7.136 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.540 -0.537 6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.934 0.147 9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.667 0.327 8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.113 -3.015 10.021 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.594 -1.317 10.109 1.00 0.00 H new ATOM 707 N ALA A 96 -4.485 1.960 6.234 1.00 0.00 N ATOM 708 CA ALA A 96 -4.392 3.363 5.838 1.00 0.00 C ATOM 709 C ALA A 96 -3.889 4.216 7.009 1.00 0.00 C ATOM 710 O ALA A 96 -4.389 4.093 8.127 1.00 0.00 O ATOM 711 CB ALA A 96 -5.763 3.882 5.400 1.00 0.00 C ATOM 0 H ALA A 96 -5.423 1.562 6.178 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.690 3.435 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.679 4.929 5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.120 3.296 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.467 3.792 6.227 1.00 0.00 H new ATOM 717 N PRO A 97 -2.897 5.090 6.775 1.00 0.00 N ATOM 718 CA PRO A 97 -2.351 5.951 7.835 1.00 0.00 C ATOM 719 C PRO A 97 -3.313 7.072 8.222 1.00 0.00 C ATOM 720 O PRO A 97 -3.358 7.502 9.375 1.00 0.00 O ATOM 721 CB PRO A 97 -1.078 6.531 7.222 1.00 0.00 C ATOM 722 CG PRO A 97 -1.302 6.485 5.749 1.00 0.00 C ATOM 723 CD PRO A 97 -2.222 5.327 5.484 1.00 0.00 C ATOM 0 HA PRO A 97 -2.174 5.392 8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.906 7.552 7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.202 5.948 7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.743 7.417 5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.358 6.358 5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.940 5.562 4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.668 4.447 5.158 1.00 0.00 H new ATOM 731 N THR A 98 -4.082 7.537 7.242 1.00 0.00 N ATOM 732 CA THR A 98 -5.044 8.607 7.483 1.00 0.00 C ATOM 733 C THR A 98 -6.275 8.424 6.602 1.00 0.00 C ATOM 734 O THR A 98 -6.217 7.773 5.558 1.00 0.00 O ATOM 735 CB THR A 98 -4.416 9.970 7.185 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.633 9.880 6.002 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.529 10.393 8.357 1.00 0.00 C ATOM 0 H THR A 98 -4.059 7.193 6.282 1.00 0.00 H new ATOM 0 HA THR A 98 -5.338 8.565 8.532 1.00 0.00 H new ATOM 0 HB THR A 98 -5.203 10.711 7.044 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.231 10.753 5.808 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.082 11.364 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.131 10.462 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.740 9.655 8.501 1.00 0.00 H new ATOM 745 N ASP A 99 -7.389 9.007 7.033 1.00 0.00 N ATOM 746 CA ASP A 99 -8.633 8.903 6.274 1.00 0.00 C ATOM 747 C ASP A 99 -8.523 9.674 4.963 1.00 0.00 C ATOM 748 O ASP A 99 -7.913 10.741 4.902 1.00 0.00 O ATOM 749 CB ASP A 99 -9.806 9.462 7.083 1.00 0.00 C ATOM 750 CG ASP A 99 -9.473 10.874 7.556 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.611 11.790 6.763 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.087 11.017 8.704 1.00 0.00 O ATOM 0 H ASP A 99 -7.458 9.551 7.893 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.809 7.848 6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.709 9.475 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.010 8.819 7.939 1.00 0.00 H new ATOM 757 N GLY A 100 -9.122 9.119 3.914 1.00 0.00 N ATOM 758 CA GLY A 100 -9.088 9.761 2.603 1.00 0.00 C ATOM 759 C GLY A 100 -9.674 8.845 1.533 1.00 0.00 C ATOM 760 O GLY A 100 -10.465 7.949 1.828 1.00 0.00 O ATOM 0 H GLY A 100 -9.632 8.236 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.650 10.694 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.060 10.017 2.345 1.00 0.00 H new ATOM 764 N LYS A 101 -9.279 9.085 0.285 1.00 0.00 N ATOM 765 CA LYS A 101 -9.770 8.278 -0.829 1.00 0.00 C ATOM 766 C LYS A 101 -8.622 7.903 -1.761 1.00 0.00 C ATOM 767 O LYS A 101 -7.677 8.670 -1.945 1.00 0.00 O ATOM 768 CB LYS A 101 -10.826 9.051 -1.623 1.00 0.00 C ATOM 769 CG LYS A 101 -11.560 8.095 -2.567 1.00 0.00 C ATOM 770 CD LYS A 101 -12.258 8.897 -3.667 1.00 0.00 C ATOM 771 CE LYS A 101 -13.665 9.278 -3.208 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.293 10.261 -4.137 1.00 0.00 N ATOM 0 H LYS A 101 -8.627 9.824 0.021 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.215 7.371 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.535 9.522 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.353 9.850 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.855 7.390 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.291 7.508 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.684 9.795 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.310 8.309 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.285 8.383 -3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.620 9.701 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.247 10.499 -3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.713 11.124 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.358 9.847 -5.089 1.00 0.00 H new ATOM 786 N VAL A 102 -8.716 6.714 -2.349 1.00 0.00 N ATOM 787 CA VAL A 102 -7.680 6.241 -3.264 1.00 0.00 C ATOM 788 C VAL A 102 -7.787 6.965 -4.604 1.00 0.00 C ATOM 789 O VAL A 102 -8.706 6.721 -5.385 1.00 0.00 O ATOM 790 CB VAL A 102 -7.820 4.733 -3.496 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.626 4.224 -4.307 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.863 4.010 -2.147 1.00 0.00 C ATOM 0 H VAL A 102 -9.491 6.065 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.709 6.449 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.741 4.537 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.728 3.151 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.594 4.736 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.704 4.422 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.963 2.937 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.942 4.209 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.715 4.369 -1.569 1.00 0.00 H new ATOM 802 N GLU A 103 -6.836 7.861 -4.859 1.00 0.00 N ATOM 803 CA GLU A 103 -6.834 8.617 -6.110 1.00 0.00 C ATOM 804 C GLU A 103 -6.027 7.884 -7.178 1.00 0.00 C ATOM 805 O GLU A 103 -6.317 7.983 -8.370 1.00 0.00 O ATOM 806 CB GLU A 103 -6.238 10.013 -5.901 1.00 0.00 C ATOM 807 CG GLU A 103 -4.843 9.897 -5.281 1.00 0.00 C ATOM 808 CD GLU A 103 -4.127 11.238 -5.385 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.544 12.164 -4.709 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.173 11.321 -6.140 1.00 0.00 O ATOM 0 H GLU A 103 -6.067 8.080 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.868 8.715 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.179 10.539 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.886 10.601 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.922 9.595 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.269 9.125 -5.794 1.00 0.00 H new ATOM 817 N LYS A 104 -5.008 7.149 -6.740 1.00 0.00 N ATOM 818 CA LYS A 104 -4.164 6.408 -7.672 1.00 0.00 C ATOM 819 C LYS A 104 -3.490 5.233 -6.968 1.00 0.00 C ATOM 820 O LYS A 104 -2.898 5.386 -5.900 1.00 0.00 O ATOM 821 CB LYS A 104 -3.087 7.321 -8.258 1.00 0.00 C ATOM 822 CG LYS A 104 -2.629 6.769 -9.610 1.00 0.00 C ATOM 823 CD LYS A 104 -3.428 7.437 -10.731 1.00 0.00 C ATOM 824 CE LYS A 104 -2.547 7.571 -11.974 1.00 0.00 C ATOM 825 NZ LYS A 104 -1.678 8.779 -11.897 1.00 0.00 N ATOM 0 H LYS A 104 -4.749 7.051 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.800 6.033 -8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.478 8.331 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.240 7.387 -7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.564 6.954 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.772 5.689 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.314 6.846 -10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.774 8.419 -10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.927 6.681 -12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.175 7.629 -12.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.093 8.841 -12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.272 9.629 -11.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.062 8.711 -11.062 1.00 0.00 H new ATOM 839 N VAL A 105 -3.589 4.058 -7.584 1.00 0.00 N ATOM 840 CA VAL A 105 -2.986 2.855 -7.015 1.00 0.00 C ATOM 841 C VAL A 105 -1.645 2.567 -7.683 1.00 0.00 C ATOM 842 O VAL A 105 -1.590 2.116 -8.826 1.00 0.00 O ATOM 843 CB VAL A 105 -3.910 1.647 -7.213 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.347 0.426 -6.467 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.306 1.981 -6.677 1.00 0.00 C ATOM 0 H VAL A 105 -4.076 3.913 -8.468 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.834 3.026 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.973 1.414 -8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.010 -0.427 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.357 0.187 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.275 0.651 -5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.964 1.124 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.241 2.219 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.708 2.838 -7.217 1.00 0.00 H new ATOM 855 N LEU A 106 -0.563 2.830 -6.955 1.00 0.00 N ATOM 856 CA LEU A 106 0.777 2.592 -7.489 1.00 0.00 C ATOM 857 C LEU A 106 1.260 1.170 -7.182 1.00 0.00 C ATOM 858 O LEU A 106 2.437 0.857 -7.360 1.00 0.00 O ATOM 859 CB LEU A 106 1.772 3.586 -6.893 1.00 0.00 C ATOM 860 CG LEU A 106 1.334 5.051 -6.926 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.069 5.829 -5.834 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.671 5.649 -8.293 1.00 0.00 C ATOM 0 H LEU A 106 -0.585 3.203 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 106 0.721 2.721 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.965 3.305 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.717 3.494 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 106 0.259 5.114 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.757 6.873 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.831 5.401 -4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.144 5.768 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.360 6.693 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.746 5.586 -8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.148 5.094 -9.072 1.00 0.00 H new ATOM 874 N VAL A 107 0.350 0.308 -6.726 1.00 0.00 N ATOM 875 CA VAL A 107 0.716 -1.068 -6.413 1.00 0.00 C ATOM 876 C VAL A 107 -0.215 -2.035 -7.134 1.00 0.00 C ATOM 877 O VAL A 107 -1.429 -1.841 -7.170 1.00 0.00 O ATOM 878 CB VAL A 107 0.629 -1.322 -4.908 1.00 0.00 C ATOM 879 CG1 VAL A 107 1.689 -0.485 -4.188 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.761 -0.926 -4.403 1.00 0.00 C ATOM 0 H VAL A 107 -0.631 0.536 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 107 1.742 -1.228 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 107 0.801 -2.379 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.628 -0.665 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.679 -0.765 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.516 0.572 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.823 -1.107 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.933 0.132 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.517 -1.520 -4.916 1.00 0.00 H new ATOM 890 N LYS A 108 0.368 -3.079 -7.710 1.00 0.00 N ATOM 891 CA LYS A 108 -0.421 -4.071 -8.434 1.00 0.00 C ATOM 892 C LYS A 108 -0.090 -5.475 -7.941 1.00 0.00 C ATOM 893 O LYS A 108 0.989 -5.722 -7.404 1.00 0.00 O ATOM 894 CB LYS A 108 -0.136 -3.987 -9.935 1.00 0.00 C ATOM 895 CG LYS A 108 -1.196 -4.780 -10.701 1.00 0.00 C ATOM 896 CD LYS A 108 -1.078 -4.475 -12.195 1.00 0.00 C ATOM 897 CE LYS A 108 -1.848 -5.528 -12.994 1.00 0.00 C ATOM 898 NZ LYS A 108 -1.267 -5.709 -14.355 1.00 0.00 N ATOM 0 H LYS A 108 1.371 -3.261 -7.692 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.476 -3.863 -8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.140 -2.946 -10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.856 -4.384 -10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.065 -5.848 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.191 -4.518 -10.343 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.474 -3.482 -12.406 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.030 -4.471 -12.494 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.830 -6.478 -12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.893 -5.230 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.811 -6.429 -14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.307 -4.808 -14.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.277 -6.017 -14.272 1.00 0.00 H new ATOM 912 N GLU A 109 -1.034 -6.393 -8.133 1.00 0.00 N ATOM 913 CA GLU A 109 -0.838 -7.776 -7.705 1.00 0.00 C ATOM 914 C GLU A 109 0.362 -8.391 -8.419 1.00 0.00 C ATOM 915 O GLU A 109 0.686 -8.022 -9.548 1.00 0.00 O ATOM 916 CB GLU A 109 -2.083 -8.611 -8.010 1.00 0.00 C ATOM 917 CG GLU A 109 -3.189 -8.263 -7.012 1.00 0.00 C ATOM 918 CD GLU A 109 -4.358 -9.225 -7.192 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.177 -8.975 -8.061 1.00 0.00 O ATOM 920 OE2 GLU A 109 -4.418 -10.197 -6.457 1.00 0.00 O ATOM 0 H GLU A 109 -1.933 -6.208 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.657 -7.774 -6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.423 -8.418 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.845 -9.673 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.807 -8.325 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.522 -7.237 -7.165 1.00 0.00 H new ATOM 927 N ARG A 110 1.017 -9.332 -7.745 1.00 0.00 N ATOM 928 CA ARG A 110 2.186 -9.997 -8.320 1.00 0.00 C ATOM 929 C ARG A 110 3.294 -8.984 -8.595 1.00 0.00 C ATOM 930 O ARG A 110 4.074 -9.136 -9.536 1.00 0.00 O ATOM 931 CB ARG A 110 1.817 -10.703 -9.627 1.00 0.00 C ATOM 932 CG ARG A 110 0.639 -11.647 -9.383 1.00 0.00 C ATOM 933 CD ARG A 110 1.144 -12.942 -8.745 1.00 0.00 C ATOM 934 NE ARG A 110 0.107 -13.970 -8.772 1.00 0.00 N ATOM 935 CZ ARG A 110 0.421 -15.259 -8.866 1.00 0.00 C ATOM 936 NH1 ARG A 110 1.037 -15.704 -9.926 1.00 0.00 N ATOM 937 NH2 ARG A 110 0.114 -16.077 -7.897 1.00 0.00 N ATOM 0 H ARG A 110 0.763 -9.650 -6.810 1.00 0.00 H new ATOM 0 HA ARG A 110 2.539 -10.735 -7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.556 -9.968 -10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.673 -11.263 -10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.093 -11.170 -8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.134 -11.866 -10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.027 -13.295 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.448 -12.752 -7.716 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.874 -13.695 -8.718 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.278 -15.064 -10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.278 -16.692 -9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.367 -15.728 -7.068 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.355 -17.066 -7.969 1.00 0.00 H new ATOM 951 N ASP A 111 3.354 -7.948 -7.762 1.00 0.00 N ATOM 952 CA ASP A 111 4.371 -6.912 -7.923 1.00 0.00 C ATOM 953 C ASP A 111 5.174 -6.755 -6.635 1.00 0.00 C ATOM 954 O ASP A 111 4.634 -6.856 -5.533 1.00 0.00 O ATOM 955 CB ASP A 111 3.721 -5.572 -8.273 1.00 0.00 C ATOM 956 CG ASP A 111 4.726 -4.697 -9.014 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.587 -4.134 -8.357 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.620 -4.603 -10.225 1.00 0.00 O ATOM 0 H ASP A 111 2.718 -7.804 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 111 5.035 -7.213 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.839 -5.734 -8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.386 -5.070 -7.365 1.00 0.00 H new ATOM 963 N ALA A 112 6.473 -6.509 -6.786 1.00 0.00 N ATOM 964 CA ALA A 112 7.345 -6.341 -5.628 1.00 0.00 C ATOM 965 C ALA A 112 7.429 -4.872 -5.228 1.00 0.00 C ATOM 966 O ALA A 112 7.554 -3.988 -6.076 1.00 0.00 O ATOM 967 CB ALA A 112 8.753 -6.852 -5.940 1.00 0.00 C ATOM 0 H ALA A 112 6.940 -6.422 -7.688 1.00 0.00 H new ATOM 0 HA ALA A 112 6.922 -6.917 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.390 -6.719 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.707 -7.910 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.166 -6.291 -6.779 1.00 0.00 H new ATOM 973 N VAL A 113 7.358 -4.621 -3.924 1.00 0.00 N ATOM 974 CA VAL A 113 7.428 -3.255 -3.413 1.00 0.00 C ATOM 975 C VAL A 113 8.610 -3.106 -2.461 1.00 0.00 C ATOM 976 O VAL A 113 9.092 -4.083 -1.889 1.00 0.00 O ATOM 977 CB VAL A 113 6.140 -2.893 -2.670 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.971 -2.867 -3.657 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.866 -3.937 -1.585 1.00 0.00 C ATOM 0 H VAL A 113 7.253 -5.339 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 113 7.556 -2.583 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 113 6.250 -1.911 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.054 -2.609 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.165 -2.124 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.861 -3.849 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.949 -3.679 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.756 -4.919 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.698 -3.957 -0.881 1.00 0.00 H new ATOM 989 N GLN A 114 9.073 -1.870 -2.298 1.00 0.00 N ATOM 990 CA GLN A 114 10.202 -1.603 -1.413 1.00 0.00 C ATOM 991 C GLN A 114 9.714 -1.070 -0.071 1.00 0.00 C ATOM 992 O GLN A 114 8.758 -0.296 -0.003 1.00 0.00 O ATOM 993 CB GLN A 114 11.146 -0.576 -2.044 1.00 0.00 C ATOM 994 CG GLN A 114 12.187 -1.300 -2.899 1.00 0.00 C ATOM 995 CD GLN A 114 13.454 -0.455 -2.983 1.00 0.00 C ATOM 996 OE1 GLN A 114 13.398 0.771 -2.881 1.00 0.00 O ATOM 997 NE2 GLN A 114 14.604 -1.043 -3.163 1.00 0.00 N ATOM 0 H GLN A 114 8.689 -1.046 -2.761 1.00 0.00 H new ATOM 0 HA GLN A 114 10.736 -2.540 -1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.580 0.126 -2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.640 0.006 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.415 -2.274 -2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.791 -1.480 -3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.650 -2.058 -3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 114 15.458 -0.487 -3.219 1.00 0.00 H new ATOM 1006 N GLY A 115 10.384 -1.493 0.999 1.00 0.00 N ATOM 1007 CA GLY A 115 10.014 -1.053 2.343 1.00 0.00 C ATOM 1008 C GLY A 115 10.121 0.463 2.464 1.00 0.00 C ATOM 1009 O GLY A 115 11.219 1.022 2.497 1.00 0.00 O ATOM 0 H GLY A 115 11.177 -2.133 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.995 -1.369 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.664 -1.528 3.078 1.00 0.00 H new ATOM 1013 N GLY A 116 8.969 1.124 2.523 1.00 0.00 N ATOM 1014 CA GLY A 116 8.942 2.579 2.634 1.00 0.00 C ATOM 1015 C GLY A 116 8.351 3.211 1.376 1.00 0.00 C ATOM 1016 O GLY A 116 7.769 4.295 1.425 1.00 0.00 O ATOM 0 H GLY A 116 8.051 0.681 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.353 2.870 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.953 2.954 2.794 1.00 0.00 H new ATOM 1020 N GLN A 117 8.508 2.522 0.245 1.00 0.00 N ATOM 1021 CA GLN A 117 7.986 3.023 -1.027 1.00 0.00 C ATOM 1022 C GLN A 117 6.480 3.258 -0.939 1.00 0.00 C ATOM 1023 O GLN A 117 5.766 2.548 -0.230 1.00 0.00 O ATOM 1024 CB GLN A 117 8.270 2.023 -2.151 1.00 0.00 C ATOM 1025 CG GLN A 117 8.054 2.702 -3.505 1.00 0.00 C ATOM 1026 CD GLN A 117 8.498 1.763 -4.622 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.641 1.821 -5.073 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.652 0.891 -5.099 1.00 0.00 N ATOM 0 H GLN A 117 8.988 1.624 0.183 1.00 0.00 H new ATOM 0 HA GLN A 117 8.485 3.968 -1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.294 1.656 -2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.613 1.158 -2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.003 2.961 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.620 3.633 -3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.704 0.843 -4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.939 0.258 -5.846 1.00 0.00 H new ATOM 1037 N GLY A 118 6.006 4.267 -1.666 1.00 0.00 N ATOM 1038 CA GLY A 118 4.583 4.595 -1.664 1.00 0.00 C ATOM 1039 C GLY A 118 3.758 3.446 -2.234 1.00 0.00 C ATOM 1040 O GLY A 118 3.958 3.024 -3.373 1.00 0.00 O ATOM 0 H GLY A 118 6.580 4.866 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.257 4.812 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.413 5.497 -2.252 1.00 0.00 H new ATOM 1044 N LEU A 119 2.826 2.947 -1.426 1.00 0.00 N ATOM 1045 CA LEU A 119 1.969 1.846 -1.856 1.00 0.00 C ATOM 1046 C LEU A 119 0.741 2.379 -2.587 1.00 0.00 C ATOM 1047 O LEU A 119 0.438 1.964 -3.706 1.00 0.00 O ATOM 1048 CB LEU A 119 1.512 1.023 -0.651 1.00 0.00 C ATOM 1049 CG LEU A 119 2.615 0.241 0.064 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.001 -0.609 1.177 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.324 -0.670 -0.940 1.00 0.00 C ATOM 0 H LEU A 119 2.646 3.283 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 119 2.547 1.214 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.040 1.693 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.747 0.320 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 119 3.333 0.938 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.788 -1.166 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.494 0.039 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.282 -1.307 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.111 -1.228 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.605 -1.367 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.763 -0.065 -1.734 1.00 0.00 H new ATOM 1063 N ILE A 120 0.040 3.307 -1.943 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.155 3.897 -2.542 1.00 0.00 C ATOM 1065 C ILE A 120 -1.238 5.382 -2.207 1.00 0.00 C ATOM 1066 O ILE A 120 -0.798 5.820 -1.145 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.419 3.200 -2.033 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.279 1.686 -2.213 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.630 3.695 -2.830 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.476 0.982 -1.572 1.00 0.00 C ATOM 0 H ILE A 120 0.274 3.664 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.085 3.768 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.557 3.429 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.224 1.439 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.352 1.339 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.531 3.199 -2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.733 4.773 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.489 3.466 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.376 -0.096 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.511 1.219 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.396 1.320 -2.049 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.810 6.149 -3.129 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.951 7.588 -2.929 1.00 0.00 C ATOM 1084 C LYS A 121 -3.333 7.913 -2.372 1.00 0.00 C ATOM 1085 O LYS A 121 -4.353 7.493 -2.917 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.756 8.330 -4.251 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.172 9.716 -3.977 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.346 10.169 -5.182 1.00 0.00 C ATOM 1089 CE LYS A 121 0.030 11.641 -5.017 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.368 12.266 -6.328 1.00 0.00 N ATOM 0 H LYS A 121 -2.181 5.803 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.190 7.909 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.089 7.765 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.709 8.422 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.974 10.428 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.548 9.689 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.554 9.560 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.916 10.029 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -0.798 12.180 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.881 11.727 -4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 0.619 13.265 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.174 11.765 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.453 12.204 -6.964 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.353 8.665 -1.274 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.616 9.041 -0.644 1.00 0.00 C ATOM 1106 C ILE A 122 -4.910 10.520 -0.878 1.00 0.00 C ATOM 1107 O ILE A 122 -4.003 11.351 -0.918 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.563 8.775 0.865 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.094 7.333 1.126 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.952 8.984 1.476 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -5.057 6.329 0.475 1.00 0.00 C ATOM 0 H ILE A 122 -2.520 9.022 -0.807 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.407 8.439 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.859 9.469 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.089 7.193 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -4.039 7.150 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.910 8.794 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.276 10.010 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.660 8.297 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.710 5.314 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -6.055 6.458 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.090 6.501 -0.601 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.193 10.838 -1.030 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.604 12.220 -1.260 1.00 0.00 C ATOM 1125 C GLY A 123 -7.659 12.296 -2.357 1.00 0.00 C ATOM 1126 O GLY A 123 -7.506 11.601 -3.347 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.606 13.047 -2.191 1.00 0.00 O ATOM 0 H GLY A 123 -6.959 10.165 -0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.001 12.644 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.738 12.820 -1.540 1.00 0.00 H new TER 1131 GLY A 123