USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=8 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 Set 1.1: A 114 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Set 1.2: A 117 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Set 2.1: A 81 THR OG1 : rot -43:sc= 0.29 USER MOD Set 2.2: A 95 ASN : amide:sc= -0.773 K(o=-0.48,f=-4.9!) USER MOD Set 3.1: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 101 LYS NZ :NH3+ -124:sc= 1.27 (180deg=-0.244) 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 99:sc= 0.0488 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 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 88 MET CE :methyl -134:sc=-0.00119 (180deg=-0.0794) 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 -150:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 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 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 9.453 13.730 -9.617 1.00 0.00 N ATOM 2 CA ALA A 47 10.455 13.119 -8.700 1.00 0.00 C ATOM 3 C ALA A 47 9.746 12.149 -7.761 1.00 0.00 C ATOM 4 O ALA A 47 9.106 12.557 -6.792 1.00 0.00 O ATOM 5 CB ALA A 47 11.173 14.185 -7.867 1.00 0.00 C ATOM 0 HA ALA A 47 11.197 12.597 -9.304 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.897 13.705 -7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.689 14.879 -8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.444 14.731 -7.268 1.00 0.00 H new ATOM 13 N GLY A 48 9.868 10.859 -8.060 1.00 0.00 N ATOM 14 CA GLY A 48 9.236 9.833 -7.238 1.00 0.00 C ATOM 15 C GLY A 48 10.051 8.545 -7.256 1.00 0.00 C ATOM 16 O GLY A 48 11.266 8.566 -7.454 1.00 0.00 O ATOM 0 H GLY A 48 10.394 10.502 -8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.137 10.192 -6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.229 9.636 -7.605 1.00 0.00 H new ATOM 20 N ALA A 49 9.368 7.422 -7.049 1.00 0.00 N ATOM 21 CA ALA A 49 10.036 6.120 -7.043 1.00 0.00 C ATOM 22 C ALA A 49 11.090 6.065 -5.942 1.00 0.00 C ATOM 23 O ALA A 49 11.524 7.094 -5.425 1.00 0.00 O ATOM 24 CB ALA A 49 10.707 5.854 -8.391 1.00 0.00 C ATOM 0 H ALA A 49 8.362 7.385 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 49 9.280 5.357 -6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.198 4.881 -8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.955 5.861 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.447 6.630 -8.588 1.00 0.00 H new ATOM 30 N GLY A 50 11.497 4.848 -5.590 1.00 0.00 N ATOM 31 CA GLY A 50 12.503 4.663 -4.548 1.00 0.00 C ATOM 32 C GLY A 50 11.848 4.574 -3.174 1.00 0.00 C ATOM 33 O GLY A 50 11.681 3.489 -2.619 1.00 0.00 O ATOM 0 H GLY A 50 11.150 3.984 -6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.073 3.755 -4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.209 5.493 -4.566 1.00 0.00 H new ATOM 37 N LYS A 51 11.478 5.731 -2.633 1.00 0.00 N ATOM 38 CA LYS A 51 10.839 5.779 -1.320 1.00 0.00 C ATOM 39 C LYS A 51 9.752 6.848 -1.298 1.00 0.00 C ATOM 40 O LYS A 51 9.900 7.917 -1.888 1.00 0.00 O ATOM 41 CB LYS A 51 11.870 6.094 -0.235 1.00 0.00 C ATOM 42 CG LYS A 51 11.265 5.815 1.142 1.00 0.00 C ATOM 43 CD LYS A 51 12.255 6.234 2.231 1.00 0.00 C ATOM 44 CE LYS A 51 13.223 5.083 2.512 1.00 0.00 C ATOM 45 NZ LYS A 51 14.541 5.586 2.993 1.00 0.00 N ATOM 0 H LYS A 51 11.607 6.640 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 51 10.394 4.803 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.764 5.487 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.178 7.137 -0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.329 6.362 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.029 4.755 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.807 7.119 1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.719 6.502 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.791 4.417 3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.365 4.495 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.174 4.781 3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.963 6.202 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.407 6.126 3.872 1.00 0.00 H new ATOM 59 N ALA A 52 8.655 6.545 -0.608 1.00 0.00 N ATOM 60 CA ALA A 52 7.544 7.488 -0.514 1.00 0.00 C ATOM 61 C ALA A 52 7.975 8.744 0.239 1.00 0.00 C ATOM 62 O ALA A 52 9.094 8.830 0.746 1.00 0.00 O ATOM 63 CB ALA A 52 6.358 6.853 0.215 1.00 0.00 C ATOM 0 H ALA A 52 8.512 5.665 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 52 7.244 7.754 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.541 7.572 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.026 5.970 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.662 6.564 1.221 1.00 0.00 H new ATOM 69 N GLY A 53 7.071 9.715 0.305 1.00 0.00 N ATOM 70 CA GLY A 53 7.358 10.969 0.997 1.00 0.00 C ATOM 71 C GLY A 53 6.122 11.860 1.017 1.00 0.00 C ATOM 72 O GLY A 53 5.783 12.456 2.040 1.00 0.00 O ATOM 0 H GLY A 53 6.140 9.661 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.682 10.763 2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.179 11.486 0.500 1.00 0.00 H new ATOM 76 N GLU A 54 5.452 11.934 -0.128 1.00 0.00 N ATOM 77 CA GLU A 54 4.242 12.741 -0.245 1.00 0.00 C ATOM 78 C GLU A 54 3.156 12.173 0.683 1.00 0.00 C ATOM 79 O GLU A 54 3.472 11.598 1.725 1.00 0.00 O ATOM 80 CB GLU A 54 3.766 12.741 -1.707 1.00 0.00 C ATOM 81 CG GLU A 54 3.230 14.127 -2.073 1.00 0.00 C ATOM 82 CD GLU A 54 3.473 14.391 -3.555 1.00 0.00 C ATOM 83 OE1 GLU A 54 3.363 13.455 -4.329 1.00 0.00 O ATOM 84 OE2 GLU A 54 3.767 15.526 -3.893 1.00 0.00 O ATOM 0 H GLU A 54 5.723 11.449 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 54 4.450 13.769 0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.590 12.473 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.988 11.991 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.164 14.186 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.723 14.890 -1.471 1.00 0.00 H new ATOM 91 N GLY A 55 1.878 12.326 0.313 1.00 0.00 N ATOM 92 CA GLY A 55 0.795 11.807 1.147 1.00 0.00 C ATOM 93 C GLY A 55 0.459 10.349 0.807 1.00 0.00 C ATOM 94 O GLY A 55 -0.612 9.856 1.157 1.00 0.00 O ATOM 0 H GLY A 55 1.576 12.795 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.079 11.879 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.093 12.425 1.014 1.00 0.00 H new ATOM 98 N GLU A 56 1.379 9.660 0.126 1.00 0.00 N ATOM 99 CA GLU A 56 1.156 8.265 -0.240 1.00 0.00 C ATOM 100 C GLU A 56 1.485 7.351 0.936 1.00 0.00 C ATOM 101 O GLU A 56 2.313 7.682 1.784 1.00 0.00 O ATOM 102 CB GLU A 56 2.035 7.879 -1.430 1.00 0.00 C ATOM 103 CG GLU A 56 1.747 8.816 -2.604 1.00 0.00 C ATOM 104 CD GLU A 56 2.998 8.951 -3.466 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.073 9.068 -2.901 1.00 0.00 O ATOM 106 OE2 GLU A 56 2.863 8.934 -4.679 1.00 0.00 O ATOM 0 H GLU A 56 2.274 10.043 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 56 0.107 8.149 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.087 7.939 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.840 6.846 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.922 8.426 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.439 9.794 -2.235 1.00 0.00 H new ATOM 113 N ILE A 57 0.829 6.195 0.974 1.00 0.00 N ATOM 114 CA ILE A 57 1.063 5.234 2.050 1.00 0.00 C ATOM 115 C ILE A 57 2.340 4.432 1.774 1.00 0.00 C ATOM 116 O ILE A 57 2.379 3.628 0.843 1.00 0.00 O ATOM 117 CB ILE A 57 -0.118 4.265 2.165 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.421 5.058 2.286 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.058 3.388 3.407 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.611 4.099 2.218 1.00 0.00 C ATOM 0 H ILE A 57 0.139 5.902 0.282 1.00 0.00 H new ATOM 0 HA ILE A 57 1.172 5.787 2.983 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.155 3.635 1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.438 5.609 3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.487 5.794 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.783 2.699 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.985 2.821 3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.097 4.019 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.539 4.664 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.597 3.568 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.546 3.381 3.035 1.00 0.00 H new ATOM 132 N PRO A 58 3.402 4.634 2.572 1.00 0.00 N ATOM 133 CA PRO A 58 4.670 3.910 2.382 1.00 0.00 C ATOM 134 C PRO A 58 4.557 2.437 2.767 1.00 0.00 C ATOM 135 O PRO A 58 3.731 2.058 3.597 1.00 0.00 O ATOM 136 CB PRO A 58 5.649 4.632 3.306 1.00 0.00 C ATOM 137 CG PRO A 58 4.798 5.251 4.360 1.00 0.00 C ATOM 138 CD PRO A 58 3.478 5.564 3.715 1.00 0.00 C ATOM 0 HA PRO A 58 4.982 3.911 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.370 3.938 3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.219 5.387 2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.667 4.571 5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.263 6.156 4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.650 5.411 4.408 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.432 6.602 3.387 1.00 0.00 H new ATOM 146 N ALA A 59 5.398 1.611 2.152 1.00 0.00 N ATOM 147 CA ALA A 59 5.386 0.179 2.436 1.00 0.00 C ATOM 148 C ALA A 59 6.121 -0.113 3.747 1.00 0.00 C ATOM 149 O ALA A 59 7.127 0.526 4.055 1.00 0.00 O ATOM 150 CB ALA A 59 6.061 -0.597 1.303 1.00 0.00 C ATOM 0 H ALA A 59 6.089 1.904 1.461 1.00 0.00 H new ATOM 0 HA ALA A 59 4.347 -0.137 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.043 -1.663 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.527 -0.417 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.094 -0.265 1.200 1.00 0.00 H new ATOM 156 N PRO A 60 5.631 -1.081 4.535 1.00 0.00 N ATOM 157 CA PRO A 60 6.261 -1.442 5.814 1.00 0.00 C ATOM 158 C PRO A 60 7.555 -2.228 5.621 1.00 0.00 C ATOM 159 O PRO A 60 8.458 -2.184 6.458 1.00 0.00 O ATOM 160 CB PRO A 60 5.214 -2.309 6.508 1.00 0.00 C ATOM 161 CG PRO A 60 4.387 -2.883 5.409 1.00 0.00 C ATOM 162 CD PRO A 60 4.438 -1.907 4.267 1.00 0.00 C ATOM 0 HA PRO A 60 6.542 -0.558 6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.684 -3.096 7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.604 -1.718 7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.773 -3.855 5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.360 -3.037 5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.519 -2.421 3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.535 -1.298 4.226 1.00 0.00 H new ATOM 170 N LEU A 61 7.635 -2.949 4.506 1.00 0.00 N ATOM 171 CA LEU A 61 8.821 -3.747 4.209 1.00 0.00 C ATOM 172 C LEU A 61 8.838 -4.145 2.736 1.00 0.00 C ATOM 173 O LEU A 61 7.818 -4.082 2.049 1.00 0.00 O ATOM 174 CB LEU A 61 8.844 -5.011 5.068 1.00 0.00 C ATOM 175 CG LEU A 61 7.567 -5.855 5.027 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.675 -6.892 3.908 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.386 -6.572 6.369 1.00 0.00 C ATOM 0 H LEU A 61 6.901 -2.997 3.800 1.00 0.00 H new ATOM 0 HA LEU A 61 9.700 -3.142 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.681 -5.632 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.037 -4.724 6.102 1.00 0.00 H new ATOM 0 HG LEU A 61 6.710 -5.207 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.766 -7.492 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.805 -6.384 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.532 -7.540 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.477 -7.173 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.243 -7.219 6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.309 -5.835 7.168 1.00 0.00 H new ATOM 189 N ALA A 62 10.008 -4.559 2.260 1.00 0.00 N ATOM 190 CA ALA A 62 10.150 -4.969 0.866 1.00 0.00 C ATOM 191 C ALA A 62 9.628 -6.389 0.674 1.00 0.00 C ATOM 192 O ALA A 62 10.362 -7.363 0.841 1.00 0.00 O ATOM 193 CB ALA A 62 11.618 -4.915 0.437 1.00 0.00 C ATOM 0 H ALA A 62 10.864 -4.620 2.812 1.00 0.00 H new ATOM 0 HA ALA A 62 9.569 -4.281 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.704 -5.224 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.992 -3.897 0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.205 -5.586 1.064 1.00 0.00 H new ATOM 199 N GLY A 63 8.351 -6.494 0.321 1.00 0.00 N ATOM 200 CA GLY A 63 7.734 -7.800 0.108 1.00 0.00 C ATOM 201 C GLY A 63 7.080 -7.871 -1.267 1.00 0.00 C ATOM 202 O GLY A 63 7.604 -7.344 -2.248 1.00 0.00 O ATOM 0 H GLY A 63 7.728 -5.700 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.488 -8.582 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.988 -7.985 0.881 1.00 0.00 H new ATOM 206 N THR A 64 5.926 -8.530 -1.327 1.00 0.00 N ATOM 207 CA THR A 64 5.204 -8.666 -2.588 1.00 0.00 C ATOM 208 C THR A 64 3.709 -8.460 -2.371 1.00 0.00 C ATOM 209 O THR A 64 3.137 -8.945 -1.394 1.00 0.00 O ATOM 210 CB THR A 64 5.434 -10.055 -3.190 1.00 0.00 C ATOM 211 OG1 THR A 64 6.826 -10.338 -3.204 1.00 0.00 O ATOM 212 CG2 THR A 64 4.888 -10.090 -4.619 1.00 0.00 C ATOM 0 H THR A 64 5.475 -8.974 -0.527 1.00 0.00 H new ATOM 0 HA THR A 64 5.579 -7.907 -3.274 1.00 0.00 H new ATOM 0 HB THR A 64 4.918 -10.803 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.975 -11.227 -3.588 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.052 -11.079 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.820 -9.873 -4.606 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.403 -9.343 -5.224 1.00 0.00 H new ATOM 220 N VAL A 65 3.083 -7.736 -3.294 1.00 0.00 N ATOM 221 CA VAL A 65 1.651 -7.469 -3.197 1.00 0.00 C ATOM 222 C VAL A 65 0.858 -8.744 -3.465 1.00 0.00 C ATOM 223 O VAL A 65 1.027 -9.394 -4.496 1.00 0.00 O ATOM 224 CB VAL A 65 1.233 -6.397 -4.208 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.222 -5.998 -3.961 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.129 -5.166 -4.049 1.00 0.00 C ATOM 0 H VAL A 65 3.539 -7.327 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 65 1.441 -7.113 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 65 1.335 -6.795 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.517 -5.235 -4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.863 -6.872 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.324 -5.602 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.831 -4.404 -4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.028 -4.770 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.167 -5.446 -4.226 1.00 0.00 H new ATOM 236 N SER A 66 -0.010 -9.096 -2.520 1.00 0.00 N ATOM 237 CA SER A 66 -0.824 -10.301 -2.660 1.00 0.00 C ATOM 238 C SER A 66 -2.217 -9.950 -3.174 1.00 0.00 C ATOM 239 O SER A 66 -2.735 -10.593 -4.087 1.00 0.00 O ATOM 240 CB SER A 66 -0.955 -11.016 -1.315 1.00 0.00 C ATOM 241 OG SER A 66 -1.576 -12.279 -1.515 1.00 0.00 O ATOM 0 H SER A 66 -0.167 -8.572 -1.659 1.00 0.00 H new ATOM 0 HA SER A 66 -0.330 -10.959 -3.375 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.028 -11.148 -0.863 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.545 -10.413 -0.625 1.00 0.00 H new ATOM 0 HG SER A 66 -0.891 -12.979 -1.549 1.00 0.00 H new ATOM 247 N LYS A 67 -2.820 -8.926 -2.576 1.00 0.00 N ATOM 248 CA LYS A 67 -4.160 -8.504 -2.984 1.00 0.00 C ATOM 249 C LYS A 67 -4.336 -7.004 -2.778 1.00 0.00 C ATOM 250 O LYS A 67 -3.506 -6.345 -2.152 1.00 0.00 O ATOM 251 CB LYS A 67 -5.231 -9.236 -2.167 1.00 0.00 C ATOM 252 CG LYS A 67 -4.941 -10.738 -2.153 1.00 0.00 C ATOM 253 CD LYS A 67 -6.161 -11.490 -1.617 1.00 0.00 C ATOM 254 CE LYS A 67 -6.104 -11.534 -0.090 1.00 0.00 C ATOM 255 NZ LYS A 67 -7.133 -12.458 0.467 1.00 0.00 N ATOM 0 H LYS A 67 -2.411 -8.379 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.274 -8.747 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.249 -8.851 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.216 -9.051 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.702 -11.082 -3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.071 -10.945 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.077 -10.997 -1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.183 -12.503 -2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.113 -11.856 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.258 -10.532 0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.068 -12.465 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.080 -12.136 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.970 -13.419 0.103 1.00 0.00 H new ATOM 269 N ILE A 68 -5.435 -6.476 -3.308 1.00 0.00 N ATOM 270 CA ILE A 68 -5.729 -5.051 -3.175 1.00 0.00 C ATOM 271 C ILE A 68 -7.155 -4.859 -2.671 1.00 0.00 C ATOM 272 O ILE A 68 -8.107 -5.383 -3.248 1.00 0.00 O ATOM 273 CB ILE A 68 -5.571 -4.337 -4.521 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.197 -4.662 -5.115 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.689 -2.827 -4.313 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.107 -4.099 -6.534 1.00 0.00 C ATOM 0 H ILE A 68 -6.132 -7.007 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.025 -4.623 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.351 -4.674 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.410 -4.235 -4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.042 -5.741 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.577 -2.318 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.666 -2.593 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.908 -2.492 -3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.129 -4.331 -6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.885 -4.547 -7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.243 -3.018 -6.506 1.00 0.00 H new ATOM 288 N LEU A 69 -7.291 -4.111 -1.580 1.00 0.00 N ATOM 289 CA LEU A 69 -8.608 -3.868 -0.997 1.00 0.00 C ATOM 290 C LEU A 69 -9.174 -2.525 -1.456 1.00 0.00 C ATOM 291 O LEU A 69 -10.390 -2.343 -1.520 1.00 0.00 O ATOM 292 CB LEU A 69 -8.523 -3.872 0.531 1.00 0.00 C ATOM 293 CG LEU A 69 -8.201 -5.226 1.166 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.575 -5.008 2.545 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.490 -6.036 1.317 1.00 0.00 C ATOM 0 H LEU A 69 -6.517 -3.667 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.268 -4.667 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.761 -3.155 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.473 -3.518 0.932 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.501 -5.768 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.346 -5.973 2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.657 -4.429 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.275 -4.467 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.262 -7.001 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.189 -5.493 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.939 -6.192 0.336 1.00 0.00 H new ATOM 307 N VAL A 70 -8.286 -1.585 -1.765 1.00 0.00 N ATOM 308 CA VAL A 70 -8.727 -0.263 -2.206 1.00 0.00 C ATOM 309 C VAL A 70 -8.619 -0.122 -3.720 1.00 0.00 C ATOM 310 O VAL A 70 -7.843 -0.818 -4.374 1.00 0.00 O ATOM 311 CB VAL A 70 -7.888 0.831 -1.542 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.097 0.780 -0.027 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.406 0.612 -1.859 1.00 0.00 C ATOM 0 H VAL A 70 -7.274 -1.708 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.771 -0.153 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.197 1.804 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.500 1.558 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.151 0.940 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.789 -0.195 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.813 1.394 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.093 -0.361 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.256 0.648 -2.938 1.00 0.00 H new ATOM 323 N LYS A 71 -9.409 0.799 -4.263 1.00 0.00 N ATOM 324 CA LYS A 71 -9.406 1.048 -5.700 1.00 0.00 C ATOM 325 C LYS A 71 -9.408 2.549 -5.965 1.00 0.00 C ATOM 326 O LYS A 71 -9.908 3.333 -5.158 1.00 0.00 O ATOM 327 CB LYS A 71 -10.638 0.422 -6.358 1.00 0.00 C ATOM 328 CG LYS A 71 -10.666 -1.080 -6.068 1.00 0.00 C ATOM 329 CD LYS A 71 -11.464 -1.795 -7.160 1.00 0.00 C ATOM 330 CE LYS A 71 -11.995 -3.122 -6.617 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.273 -2.934 -5.874 1.00 0.00 N ATOM 0 H LYS A 71 -10.056 1.382 -3.733 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.508 0.598 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.545 0.893 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.616 0.595 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.650 -1.473 -6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.117 -1.265 -5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.292 -1.168 -7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.832 -1.973 -8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.151 -3.818 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.252 -3.570 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.606 -3.853 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.117 -2.289 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.988 -2.529 -6.511 1.00 0.00 H new ATOM 345 N GLU A 72 -8.844 2.943 -7.102 1.00 0.00 N ATOM 346 CA GLU A 72 -8.786 4.358 -7.458 1.00 0.00 C ATOM 347 C GLU A 72 -10.192 4.938 -7.575 1.00 0.00 C ATOM 348 O GLU A 72 -10.801 4.918 -8.645 1.00 0.00 O ATOM 349 CB GLU A 72 -8.056 4.544 -8.790 1.00 0.00 C ATOM 350 CG GLU A 72 -6.648 3.952 -8.689 1.00 0.00 C ATOM 351 CD GLU A 72 -6.173 3.532 -10.076 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.964 2.954 -10.802 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.023 3.793 -10.390 1.00 0.00 O ATOM 0 H GLU A 72 -8.425 2.312 -7.786 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.244 4.881 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.610 4.056 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.999 5.603 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.963 4.686 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.650 3.093 -8.018 1.00 0.00 H new ATOM 360 N GLY A 73 -10.700 5.455 -6.459 1.00 0.00 N ATOM 361 CA GLY A 73 -12.038 6.039 -6.444 1.00 0.00 C ATOM 362 C GLY A 73 -12.785 5.680 -5.162 1.00 0.00 C ATOM 363 O GLY A 73 -13.682 6.405 -4.730 1.00 0.00 O ATOM 0 H GLY A 73 -10.212 5.482 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.965 7.123 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.602 5.685 -7.307 1.00 0.00 H new ATOM 367 N ASP A 74 -12.413 4.554 -4.554 1.00 0.00 N ATOM 368 CA ASP A 74 -13.066 4.118 -3.322 1.00 0.00 C ATOM 369 C ASP A 74 -12.530 4.900 -2.128 1.00 0.00 C ATOM 370 O ASP A 74 -11.367 5.303 -2.101 1.00 0.00 O ATOM 371 CB ASP A 74 -12.829 2.626 -3.088 1.00 0.00 C ATOM 372 CG ASP A 74 -13.693 1.816 -4.049 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.803 2.242 -4.320 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.230 0.781 -4.500 1.00 0.00 O ATOM 0 H ASP A 74 -11.674 3.936 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.135 4.303 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.776 2.386 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.071 2.366 -2.058 1.00 0.00 H new ATOM 379 N THR A 75 -13.393 5.104 -1.137 1.00 0.00 N ATOM 380 CA THR A 75 -13.002 5.836 0.064 1.00 0.00 C ATOM 381 C THR A 75 -12.611 4.861 1.171 1.00 0.00 C ATOM 382 O THR A 75 -13.244 3.821 1.353 1.00 0.00 O ATOM 383 CB THR A 75 -14.153 6.716 0.556 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.753 7.370 -0.553 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.617 7.758 1.538 1.00 0.00 C ATOM 0 H THR A 75 -14.359 4.776 -1.141 1.00 0.00 H new ATOM 0 HA THR A 75 -12.149 6.467 -0.186 1.00 0.00 H new ATOM 0 HB THR A 75 -14.896 6.097 1.058 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.492 7.933 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.438 8.384 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.157 7.254 2.388 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.873 8.380 1.039 1.00 0.00 H new ATOM 393 N VAL A 76 -11.560 5.209 1.905 1.00 0.00 N ATOM 394 CA VAL A 76 -11.088 4.354 2.990 1.00 0.00 C ATOM 395 C VAL A 76 -11.096 5.111 4.314 1.00 0.00 C ATOM 396 O VAL A 76 -11.308 6.322 4.353 1.00 0.00 O ATOM 397 CB VAL A 76 -9.666 3.866 2.707 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.673 2.950 1.483 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.760 5.071 2.436 1.00 0.00 C ATOM 0 H VAL A 76 -11.024 6.066 1.772 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.761 3.499 3.057 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.293 3.314 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.659 2.603 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.319 2.093 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.046 3.500 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.746 4.726 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.135 5.621 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.754 5.725 3.308 1.00 0.00 H new ATOM 409 N LYS A 77 -10.858 4.378 5.398 1.00 0.00 N ATOM 410 CA LYS A 77 -10.834 4.981 6.725 1.00 0.00 C ATOM 411 C LYS A 77 -9.538 4.620 7.444 1.00 0.00 C ATOM 412 O LYS A 77 -9.070 3.484 7.373 1.00 0.00 O ATOM 413 CB LYS A 77 -12.021 4.494 7.558 1.00 0.00 C ATOM 414 CG LYS A 77 -13.326 4.838 6.837 1.00 0.00 C ATOM 415 CD LYS A 77 -14.499 4.705 7.811 1.00 0.00 C ATOM 416 CE LYS A 77 -15.736 5.377 7.214 1.00 0.00 C ATOM 417 NZ LYS A 77 -16.768 5.639 8.257 1.00 0.00 N ATOM 0 H LYS A 77 -10.680 3.374 5.384 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.898 6.063 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.952 3.417 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.003 4.960 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.280 5.854 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.470 4.173 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.704 3.653 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.247 5.166 8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.449 6.316 6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.157 4.742 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.594 6.095 7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.058 4.740 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.372 6.265 8.987 1.00 0.00 H new ATOM 431 N ALA A 78 -8.963 5.602 8.135 1.00 0.00 N ATOM 432 CA ALA A 78 -7.713 5.384 8.866 1.00 0.00 C ATOM 433 C ALA A 78 -7.852 4.230 9.858 1.00 0.00 C ATOM 434 O ALA A 78 -8.398 4.392 10.949 1.00 0.00 O ATOM 435 CB ALA A 78 -7.317 6.648 9.630 1.00 0.00 C ATOM 0 H ALA A 78 -9.337 6.548 8.205 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.942 5.136 8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.386 6.471 10.169 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.179 7.470 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.103 6.906 10.340 1.00 0.00 H new ATOM 441 N GLY A 79 -7.348 3.063 9.463 1.00 0.00 N ATOM 442 CA GLY A 79 -7.416 1.883 10.322 1.00 0.00 C ATOM 443 C GLY A 79 -7.763 0.640 9.511 1.00 0.00 C ATOM 444 O GLY A 79 -7.235 -0.445 9.754 1.00 0.00 O ATOM 0 H GLY A 79 -6.893 2.909 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.460 1.739 10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.165 2.036 11.099 1.00 0.00 H new ATOM 448 N GLN A 80 -8.660 0.811 8.544 1.00 0.00 N ATOM 449 CA GLN A 80 -9.080 -0.304 7.697 1.00 0.00 C ATOM 450 C GLN A 80 -7.943 -0.737 6.777 1.00 0.00 C ATOM 451 O GLN A 80 -7.156 0.086 6.309 1.00 0.00 O ATOM 452 CB GLN A 80 -10.284 0.100 6.844 1.00 0.00 C ATOM 453 CG GLN A 80 -10.864 -1.138 6.157 1.00 0.00 C ATOM 454 CD GLN A 80 -12.086 -0.736 5.339 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.942 0.011 5.814 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.222 -1.190 4.122 1.00 0.00 N ATOM 0 H GLN A 80 -9.107 1.702 8.328 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.355 -1.135 8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.043 0.571 7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.984 0.835 6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.114 -1.594 5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.140 -1.885 6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.514 -1.809 3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.036 -0.926 3.567 1.00 0.00 H new ATOM 465 N THR A 81 -7.867 -2.041 6.522 1.00 0.00 N ATOM 466 CA THR A 81 -6.823 -2.579 5.652 1.00 0.00 C ATOM 467 C THR A 81 -7.001 -2.062 4.230 1.00 0.00 C ATOM 468 O THR A 81 -8.119 -1.971 3.722 1.00 0.00 O ATOM 469 CB THR A 81 -6.868 -4.108 5.637 1.00 0.00 C ATOM 470 OG1 THR A 81 -6.928 -4.591 6.971 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.614 -4.649 4.951 1.00 0.00 C ATOM 0 H THR A 81 -8.508 -2.738 6.900 1.00 0.00 H new ATOM 0 HA THR A 81 -5.859 -2.252 6.042 1.00 0.00 H new ATOM 0 HB THR A 81 -7.750 -4.442 5.090 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.305 -4.082 7.531 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.646 -5.738 4.940 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.570 -4.277 3.927 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.730 -4.318 5.495 1.00 0.00 H new ATOM 479 N VAL A 82 -5.885 -1.719 3.594 1.00 0.00 N ATOM 480 CA VAL A 82 -5.928 -1.204 2.228 1.00 0.00 C ATOM 481 C VAL A 82 -5.234 -2.156 1.250 1.00 0.00 C ATOM 482 O VAL A 82 -5.542 -2.167 0.058 1.00 0.00 O ATOM 483 CB VAL A 82 -5.254 0.170 2.158 1.00 0.00 C ATOM 484 CG1 VAL A 82 -6.013 1.155 3.049 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.807 0.061 2.647 1.00 0.00 C ATOM 0 H VAL A 82 -4.950 -1.787 3.996 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.976 -1.116 1.943 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.264 0.523 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.534 2.133 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.044 1.238 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.002 0.797 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.331 1.040 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.797 -0.294 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.262 -0.641 2.016 1.00 0.00 H new ATOM 495 N LEU A 83 -4.289 -2.946 1.758 1.00 0.00 N ATOM 496 CA LEU A 83 -3.561 -3.881 0.903 1.00 0.00 C ATOM 497 C LEU A 83 -2.784 -4.891 1.746 1.00 0.00 C ATOM 498 O LEU A 83 -2.295 -4.571 2.830 1.00 0.00 O ATOM 499 CB LEU A 83 -2.582 -3.114 0.009 1.00 0.00 C ATOM 500 CG LEU A 83 -1.668 -3.974 -0.871 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.365 -3.230 -2.174 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.358 -4.248 -0.129 1.00 0.00 C ATOM 0 H LEU A 83 -4.013 -2.958 2.740 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.284 -4.415 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.154 -2.448 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.957 -2.485 0.643 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.165 -4.917 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.715 -3.842 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.296 -3.031 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.868 -2.287 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.293 -4.860 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.137 -3.303 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.570 -4.776 0.800 1.00 0.00 H new ATOM 514 N VAL A 84 -2.671 -6.114 1.230 1.00 0.00 N ATOM 515 CA VAL A 84 -1.946 -7.168 1.939 1.00 0.00 C ATOM 516 C VAL A 84 -0.591 -7.408 1.280 1.00 0.00 C ATOM 517 O VAL A 84 -0.465 -7.374 0.055 1.00 0.00 O ATOM 518 CB VAL A 84 -2.744 -8.474 1.927 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.062 -9.500 2.833 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.163 -8.211 2.437 1.00 0.00 C ATOM 0 H VAL A 84 -3.067 -6.398 0.334 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.802 -6.845 2.970 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.788 -8.860 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.631 -10.429 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.051 -9.690 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.016 -9.113 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.731 -9.141 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.118 -7.823 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.652 -7.481 1.792 1.00 0.00 H new ATOM 530 N LEU A 85 0.424 -7.648 2.106 1.00 0.00 N ATOM 531 CA LEU A 85 1.770 -7.891 1.593 1.00 0.00 C ATOM 532 C LEU A 85 2.264 -9.269 2.018 1.00 0.00 C ATOM 533 O LEU A 85 1.779 -9.847 2.991 1.00 0.00 O ATOM 534 CB LEU A 85 2.740 -6.827 2.113 1.00 0.00 C ATOM 535 CG LEU A 85 2.838 -5.558 1.265 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.905 -4.631 1.851 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.223 -5.934 -0.168 1.00 0.00 C ATOM 0 H LEU A 85 0.343 -7.679 3.122 1.00 0.00 H new ATOM 0 HA LEU A 85 1.729 -7.843 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.438 -6.547 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.733 -7.271 2.189 1.00 0.00 H new ATOM 0 HG LEU A 85 1.875 -5.047 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.974 -3.727 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.634 -4.364 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.869 -5.141 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.294 -5.031 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.186 -6.445 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.464 -6.594 -0.587 1.00 0.00 H new ATOM 549 N GLU A 86 3.239 -9.787 1.276 1.00 0.00 N ATOM 550 CA GLU A 86 3.800 -11.100 1.580 1.00 0.00 C ATOM 551 C GLU A 86 5.319 -11.073 1.446 1.00 0.00 C ATOM 552 O GLU A 86 5.858 -10.880 0.356 1.00 0.00 O ATOM 553 CB GLU A 86 3.234 -12.158 0.631 1.00 0.00 C ATOM 554 CG GLU A 86 1.794 -12.483 1.031 1.00 0.00 C ATOM 555 CD GLU A 86 1.207 -13.490 0.048 1.00 0.00 C ATOM 556 OE1 GLU A 86 1.331 -13.265 -1.145 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.643 -14.471 0.501 1.00 0.00 O ATOM 0 H GLU A 86 3.654 -9.323 0.468 1.00 0.00 H new ATOM 0 HA GLU A 86 3.530 -11.352 2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.264 -11.794 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.845 -13.060 0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.769 -12.889 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.193 -11.573 1.038 1.00 0.00 H new ATOM 564 N ALA A 87 6.004 -11.270 2.569 1.00 0.00 N ATOM 565 CA ALA A 87 7.464 -11.268 2.571 1.00 0.00 C ATOM 566 C ALA A 87 7.996 -12.191 3.663 1.00 0.00 C ATOM 567 O ALA A 87 7.497 -12.198 4.787 1.00 0.00 O ATOM 568 CB ALA A 87 7.998 -9.854 2.809 1.00 0.00 C ATOM 0 H ALA A 87 5.577 -11.432 3.481 1.00 0.00 H new ATOM 0 HA ALA A 87 7.802 -11.623 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.088 -9.872 2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.645 -9.194 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.643 -9.488 3.772 1.00 0.00 H new ATOM 574 N MET A 88 9.018 -12.970 3.315 1.00 0.00 N ATOM 575 CA MET A 88 9.619 -13.899 4.272 1.00 0.00 C ATOM 576 C MET A 88 8.587 -14.915 4.752 1.00 0.00 C ATOM 577 O MET A 88 8.633 -15.377 5.892 1.00 0.00 O ATOM 578 CB MET A 88 10.175 -13.144 5.481 1.00 0.00 C ATOM 579 CG MET A 88 11.115 -12.035 5.002 1.00 0.00 C ATOM 580 SD MET A 88 11.788 -11.157 6.435 1.00 0.00 S ATOM 581 CE MET A 88 13.125 -12.318 6.803 1.00 0.00 C ATOM 0 H MET A 88 9.444 -12.978 2.388 1.00 0.00 H new ATOM 0 HA MET A 88 10.432 -14.419 3.766 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.359 -12.717 6.063 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.710 -13.830 6.137 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.925 -12.460 4.409 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.577 -11.341 4.356 1.00 0.00 H new ATOM 0 HE1 MET A 88 13.143 -12.525 7.873 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.961 -13.247 6.257 1.00 0.00 H new ATOM 0 HE3 MET A 88 14.078 -11.883 6.501 1.00 0.00 H new ATOM 591 N LYS A 89 7.653 -15.258 3.867 1.00 0.00 N ATOM 592 CA LYS A 89 6.608 -16.222 4.205 1.00 0.00 C ATOM 593 C LYS A 89 5.773 -15.718 5.378 1.00 0.00 C ATOM 594 O LYS A 89 5.284 -16.501 6.194 1.00 0.00 O ATOM 595 CB LYS A 89 7.222 -17.575 4.573 1.00 0.00 C ATOM 596 CG LYS A 89 7.377 -18.425 3.310 1.00 0.00 C ATOM 597 CD LYS A 89 7.452 -19.903 3.694 1.00 0.00 C ATOM 598 CE LYS A 89 8.822 -20.202 4.307 1.00 0.00 C ATOM 599 NZ LYS A 89 9.792 -20.661 3.272 1.00 0.00 N ATOM 0 H LYS A 89 7.598 -14.887 2.919 1.00 0.00 H new ATOM 0 HA LYS A 89 5.969 -16.341 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.192 -17.429 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.588 -18.090 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.535 -18.255 2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.278 -18.133 2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.663 -20.145 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.291 -20.527 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.206 -19.307 4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.719 -20.967 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.711 -20.855 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.435 -21.528 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.908 -19.920 2.552 1.00 0.00 H new ATOM 613 N MET A 90 5.615 -14.400 5.454 1.00 0.00 N ATOM 614 CA MET A 90 4.836 -13.796 6.533 1.00 0.00 C ATOM 615 C MET A 90 3.914 -12.714 5.981 1.00 0.00 C ATOM 616 O MET A 90 4.355 -11.614 5.643 1.00 0.00 O ATOM 617 CB MET A 90 5.762 -13.178 7.582 1.00 0.00 C ATOM 618 CG MET A 90 4.961 -12.858 8.846 1.00 0.00 C ATOM 619 SD MET A 90 5.987 -11.893 9.983 1.00 0.00 S ATOM 620 CE MET A 90 5.657 -12.870 11.471 1.00 0.00 C ATOM 0 H MET A 90 6.011 -13.735 4.790 1.00 0.00 H new ATOM 0 HA MET A 90 4.238 -14.580 6.997 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.573 -13.867 7.818 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.219 -12.270 7.189 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.062 -12.299 8.588 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.636 -13.781 9.327 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.201 -12.444 12.314 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.588 -12.857 11.685 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.982 -13.898 11.311 1.00 0.00 H new ATOM 630 N GLU A 91 2.628 -13.039 5.894 1.00 0.00 N ATOM 631 CA GLU A 91 1.644 -12.088 5.381 1.00 0.00 C ATOM 632 C GLU A 91 1.582 -10.853 6.274 1.00 0.00 C ATOM 633 O GLU A 91 1.432 -10.954 7.491 1.00 0.00 O ATOM 634 CB GLU A 91 0.257 -12.732 5.325 1.00 0.00 C ATOM 635 CG GLU A 91 0.067 -13.418 3.970 1.00 0.00 C ATOM 636 CD GLU A 91 -1.121 -14.371 4.043 1.00 0.00 C ATOM 637 OE1 GLU A 91 -1.245 -15.055 5.046 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.891 -14.401 3.098 1.00 0.00 O ATOM 0 H GLU A 91 2.244 -13.943 6.168 1.00 0.00 H new ATOM 0 HA GLU A 91 1.950 -11.796 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 91 0.149 -13.458 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.513 -11.975 5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.099 -12.672 3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.969 -13.965 3.698 1.00 0.00 H new ATOM 645 N THR A 92 1.699 -9.684 5.651 1.00 0.00 N ATOM 646 CA THR A 92 1.653 -8.427 6.391 1.00 0.00 C ATOM 647 C THR A 92 0.643 -7.480 5.754 1.00 0.00 C ATOM 648 O THR A 92 0.832 -7.013 4.631 1.00 0.00 O ATOM 649 CB THR A 92 3.030 -7.758 6.402 1.00 0.00 C ATOM 650 OG1 THR A 92 4.031 -8.744 6.613 1.00 0.00 O ATOM 651 CG2 THR A 92 3.086 -6.720 7.524 1.00 0.00 C ATOM 0 H THR A 92 1.825 -9.581 4.644 1.00 0.00 H new ATOM 0 HA THR A 92 1.354 -8.647 7.416 1.00 0.00 H new ATOM 0 HB THR A 92 3.203 -7.264 5.446 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.793 -8.342 7.081 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.067 -6.244 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.318 -5.965 7.360 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.914 -7.210 8.482 1.00 0.00 H new ATOM 659 N GLU A 93 -0.435 -7.207 6.482 1.00 0.00 N ATOM 660 CA GLU A 93 -1.476 -6.317 5.977 1.00 0.00 C ATOM 661 C GLU A 93 -1.152 -4.864 6.310 1.00 0.00 C ATOM 662 O GLU A 93 -0.624 -4.557 7.379 1.00 0.00 O ATOM 663 CB GLU A 93 -2.833 -6.677 6.585 1.00 0.00 C ATOM 664 CG GLU A 93 -2.728 -6.688 8.113 1.00 0.00 C ATOM 665 CD GLU A 93 -4.023 -6.156 8.719 1.00 0.00 C ATOM 666 OE1 GLU A 93 -4.993 -6.895 8.736 1.00 0.00 O ATOM 667 OE2 GLU A 93 -4.024 -5.018 9.159 1.00 0.00 O ATOM 0 H GLU A 93 -0.610 -7.584 7.413 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.519 -6.438 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.587 -5.956 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.155 -7.654 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.538 -7.701 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.886 -6.075 8.434 1.00 0.00 H new ATOM 674 N ILE A 94 -1.479 -3.972 5.379 1.00 0.00 N ATOM 675 CA ILE A 94 -1.227 -2.548 5.577 1.00 0.00 C ATOM 676 C ILE A 94 -2.551 -1.789 5.637 1.00 0.00 C ATOM 677 O ILE A 94 -3.393 -1.907 4.748 1.00 0.00 O ATOM 678 CB ILE A 94 -0.364 -1.991 4.435 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.953 -2.770 4.368 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.056 -0.511 4.686 1.00 0.00 C ATOM 681 CD1 ILE A 94 0.739 -4.075 3.601 1.00 0.00 C ATOM 0 H ILE A 94 -1.915 -4.207 4.487 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.692 -2.418 6.518 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.907 -2.094 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.718 -2.169 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.313 -2.983 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.556 -0.124 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.989 0.051 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.484 -0.406 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.677 -4.628 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.012 -4.678 4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.399 -3.851 2.590 1.00 0.00 H new ATOM 693 N ASN A 95 -2.721 -1.009 6.701 1.00 0.00 N ATOM 694 CA ASN A 95 -3.945 -0.232 6.877 1.00 0.00 C ATOM 695 C ASN A 95 -3.698 1.228 6.517 1.00 0.00 C ATOM 696 O ASN A 95 -2.576 1.726 6.614 1.00 0.00 O ATOM 697 CB ASN A 95 -4.428 -0.312 8.328 1.00 0.00 C ATOM 698 CG ASN A 95 -4.513 -1.772 8.764 1.00 0.00 C ATOM 699 OD1 ASN A 95 -4.815 -2.651 7.957 1.00 0.00 O ATOM 700 ND2 ASN A 95 -4.260 -2.085 10.005 1.00 0.00 N ATOM 0 H ASN A 95 -2.035 -0.898 7.447 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.708 -0.648 6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.744 0.232 8.979 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.404 0.163 8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.312 -3.058 10.306 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.010 -1.357 10.674 1.00 0.00 H new ATOM 707 N ALA A 96 -4.760 1.911 6.101 1.00 0.00 N ATOM 708 CA ALA A 96 -4.648 3.318 5.728 1.00 0.00 C ATOM 709 C ALA A 96 -4.196 4.154 6.931 1.00 0.00 C ATOM 710 O ALA A 96 -4.692 3.966 8.041 1.00 0.00 O ATOM 711 CB ALA A 96 -5.996 3.847 5.234 1.00 0.00 C ATOM 0 H ALA A 96 -5.698 1.519 6.014 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.910 3.399 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.896 4.897 4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.315 3.273 4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.738 3.748 6.026 1.00 0.00 H new ATOM 717 N PRO A 97 -3.251 5.085 6.731 1.00 0.00 N ATOM 718 CA PRO A 97 -2.750 5.937 7.821 1.00 0.00 C ATOM 719 C PRO A 97 -3.771 6.990 8.245 1.00 0.00 C ATOM 720 O PRO A 97 -3.874 7.338 9.422 1.00 0.00 O ATOM 721 CB PRO A 97 -1.511 6.603 7.230 1.00 0.00 C ATOM 722 CG PRO A 97 -1.732 6.596 5.756 1.00 0.00 C ATOM 723 CD PRO A 97 -2.587 5.399 5.452 1.00 0.00 C ATOM 0 HA PRO A 97 -2.541 5.358 8.721 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.392 7.619 7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.606 6.057 7.495 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.224 7.514 5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.783 6.539 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.314 5.619 4.671 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.986 4.561 5.101 1.00 0.00 H new ATOM 731 N THR A 98 -4.522 7.492 7.270 1.00 0.00 N ATOM 732 CA THR A 98 -5.534 8.507 7.545 1.00 0.00 C ATOM 733 C THR A 98 -6.716 8.347 6.594 1.00 0.00 C ATOM 734 O THR A 98 -6.579 7.805 5.497 1.00 0.00 O ATOM 735 CB THR A 98 -4.948 9.910 7.378 1.00 0.00 C ATOM 736 OG1 THR A 98 -4.071 9.924 6.260 1.00 0.00 O ATOM 737 CG2 THR A 98 -4.175 10.297 8.641 1.00 0.00 C ATOM 0 H THR A 98 -4.451 7.216 6.291 1.00 0.00 H new ATOM 0 HA THR A 98 -5.871 8.376 8.573 1.00 0.00 H new ATOM 0 HB THR A 98 -5.755 10.625 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.696 10.823 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.758 11.297 8.520 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.849 10.286 9.498 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.367 9.584 8.806 1.00 0.00 H new ATOM 745 N ASP A 99 -7.879 8.826 7.026 1.00 0.00 N ATOM 746 CA ASP A 99 -9.081 8.732 6.202 1.00 0.00 C ATOM 747 C ASP A 99 -8.920 9.559 4.932 1.00 0.00 C ATOM 748 O ASP A 99 -8.367 10.659 4.955 1.00 0.00 O ATOM 749 CB ASP A 99 -10.306 9.233 6.971 1.00 0.00 C ATOM 750 CG ASP A 99 -10.022 10.618 7.545 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.462 10.685 8.627 1.00 0.00 O ATOM 752 OD2 ASP A 99 -10.368 11.589 6.894 1.00 0.00 O ATOM 0 H ASP A 99 -8.015 9.278 7.930 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.225 7.684 5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.171 9.273 6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.552 8.539 7.775 1.00 0.00 H new ATOM 757 N GLY A 100 -9.412 9.018 3.823 1.00 0.00 N ATOM 758 CA GLY A 100 -9.318 9.715 2.543 1.00 0.00 C ATOM 759 C GLY A 100 -9.822 8.837 1.402 1.00 0.00 C ATOM 760 O GLY A 100 -10.592 7.900 1.613 1.00 0.00 O ATOM 0 H GLY A 100 -9.875 8.110 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.901 10.635 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.283 10.001 2.356 1.00 0.00 H new ATOM 764 N LYS A 101 -9.380 9.155 0.188 1.00 0.00 N ATOM 765 CA LYS A 101 -9.793 8.394 -0.989 1.00 0.00 C ATOM 766 C LYS A 101 -8.581 8.038 -1.847 1.00 0.00 C ATOM 767 O LYS A 101 -7.639 8.821 -1.972 1.00 0.00 O ATOM 768 CB LYS A 101 -10.778 9.207 -1.831 1.00 0.00 C ATOM 769 CG LYS A 101 -11.389 8.314 -2.914 1.00 0.00 C ATOM 770 CD LYS A 101 -11.959 9.185 -4.035 1.00 0.00 C ATOM 771 CE LYS A 101 -13.266 9.829 -3.568 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.402 8.865 -3.633 1.00 0.00 N ATOM 0 H LYS A 101 -8.742 9.927 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.276 7.479 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.564 9.615 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.267 10.054 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.632 7.639 -3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.176 7.693 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.240 9.956 -4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.137 8.581 -4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.151 10.189 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.488 10.697 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.162 9.263 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.074 7.970 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.763 8.689 -2.674 1.00 0.00 H new ATOM 786 N VAL A 102 -8.619 6.847 -2.437 1.00 0.00 N ATOM 787 CA VAL A 102 -7.525 6.389 -3.286 1.00 0.00 C ATOM 788 C VAL A 102 -7.622 7.037 -4.665 1.00 0.00 C ATOM 789 O VAL A 102 -8.522 6.734 -5.448 1.00 0.00 O ATOM 790 CB VAL A 102 -7.575 4.865 -3.435 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.347 4.376 -4.208 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.594 4.218 -2.043 1.00 0.00 C ATOM 0 H VAL A 102 -9.390 6.186 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.582 6.675 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.476 4.587 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.389 3.292 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.334 4.833 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.442 4.654 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.630 3.133 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.694 4.501 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.472 4.559 -1.495 1.00 0.00 H new ATOM 802 N GLU A 103 -6.685 7.937 -4.949 1.00 0.00 N ATOM 803 CA GLU A 103 -6.674 8.629 -6.236 1.00 0.00 C ATOM 804 C GLU A 103 -5.804 7.883 -7.247 1.00 0.00 C ATOM 805 O GLU A 103 -6.051 7.932 -8.452 1.00 0.00 O ATOM 806 CB GLU A 103 -6.153 10.064 -6.076 1.00 0.00 C ATOM 807 CG GLU A 103 -4.720 10.052 -5.520 1.00 0.00 C ATOM 808 CD GLU A 103 -3.734 10.422 -6.624 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.014 11.360 -7.352 1.00 0.00 O ATOM 810 OE2 GLU A 103 -2.713 9.762 -6.725 1.00 0.00 O ATOM 0 H GLU A 103 -5.932 8.203 -4.315 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.700 8.660 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.173 10.575 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.806 10.623 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.635 10.757 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.482 9.065 -5.123 1.00 0.00 H new ATOM 817 N LYS A 104 -4.784 7.192 -6.744 1.00 0.00 N ATOM 818 CA LYS A 104 -3.886 6.440 -7.616 1.00 0.00 C ATOM 819 C LYS A 104 -3.180 5.340 -6.832 1.00 0.00 C ATOM 820 O LYS A 104 -2.630 5.578 -5.757 1.00 0.00 O ATOM 821 CB LYS A 104 -2.835 7.367 -8.230 1.00 0.00 C ATOM 822 CG LYS A 104 -2.375 6.797 -9.573 1.00 0.00 C ATOM 823 CD LYS A 104 -1.535 7.843 -10.310 1.00 0.00 C ATOM 824 CE LYS A 104 -0.091 7.785 -9.810 1.00 0.00 C ATOM 825 NZ LYS A 104 0.567 9.119 -9.892 1.00 0.00 N ATOM 0 H LYS A 104 -4.560 7.137 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.484 5.994 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.251 8.365 -8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.985 7.468 -7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.790 5.891 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.239 6.517 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.566 7.659 -11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.948 8.838 -10.145 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.075 7.433 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.472 7.063 -10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.545 9.046 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.573 9.443 -10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.043 9.801 -9.307 1.00 0.00 H new ATOM 839 N VAL A 105 -3.202 4.130 -7.383 1.00 0.00 N ATOM 840 CA VAL A 105 -2.559 2.992 -6.730 1.00 0.00 C ATOM 841 C VAL A 105 -1.208 2.705 -7.379 1.00 0.00 C ATOM 842 O VAL A 105 -1.132 2.339 -8.552 1.00 0.00 O ATOM 843 CB VAL A 105 -3.439 1.743 -6.832 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.842 0.618 -5.979 1.00 0.00 C ATOM 845 CG2 VAL A 105 -4.851 2.069 -6.331 1.00 0.00 C ATOM 0 H VAL A 105 -3.653 3.912 -8.271 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.414 3.244 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.486 1.421 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.471 -0.269 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.839 0.383 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.790 0.939 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.477 1.180 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.802 2.395 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.279 2.865 -6.941 1.00 0.00 H new ATOM 855 N LEU A 106 -0.141 2.876 -6.600 1.00 0.00 N ATOM 856 CA LEU A 106 1.213 2.634 -7.102 1.00 0.00 C ATOM 857 C LEU A 106 1.649 1.181 -6.879 1.00 0.00 C ATOM 858 O LEU A 106 2.838 0.901 -6.734 1.00 0.00 O ATOM 859 CB LEU A 106 2.210 3.559 -6.404 1.00 0.00 C ATOM 860 CG LEU A 106 1.895 5.053 -6.497 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.681 5.809 -5.425 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.293 5.573 -7.881 1.00 0.00 C ATOM 0 H LEU A 106 -0.185 3.179 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 106 1.200 2.835 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.262 3.281 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.199 3.386 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 106 0.827 5.208 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.456 6.873 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.399 5.440 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.749 5.653 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.069 6.638 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.361 5.417 -8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.733 5.035 -8.646 1.00 0.00 H new ATOM 874 N VAL A 107 0.686 0.260 -6.852 1.00 0.00 N ATOM 875 CA VAL A 107 1.002 -1.150 -6.644 1.00 0.00 C ATOM 876 C VAL A 107 -0.095 -2.032 -7.230 1.00 0.00 C ATOM 877 O VAL A 107 -1.280 -1.705 -7.156 1.00 0.00 O ATOM 878 CB VAL A 107 1.142 -1.457 -5.151 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.383 -0.756 -4.596 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.099 -0.956 -4.408 1.00 0.00 C ATOM 0 H VAL A 107 -0.307 0.462 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 107 1.947 -1.359 -7.146 1.00 0.00 H new ATOM 0 HB VAL A 107 1.241 -2.534 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.480 -0.976 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.268 -1.112 -5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.286 0.321 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.001 -1.175 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.198 0.120 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.984 -1.456 -4.800 1.00 0.00 H new ATOM 890 N LYS A 108 0.313 -3.156 -7.810 1.00 0.00 N ATOM 891 CA LYS A 108 -0.642 -4.085 -8.405 1.00 0.00 C ATOM 892 C LYS A 108 -0.446 -5.484 -7.827 1.00 0.00 C ATOM 893 O LYS A 108 0.573 -5.772 -7.198 1.00 0.00 O ATOM 894 CB LYS A 108 -0.460 -4.135 -9.928 1.00 0.00 C ATOM 895 CG LYS A 108 -1.828 -4.157 -10.616 1.00 0.00 C ATOM 896 CD LYS A 108 -1.667 -4.633 -12.062 1.00 0.00 C ATOM 897 CE LYS A 108 -2.712 -3.949 -12.945 1.00 0.00 C ATOM 898 NZ LYS A 108 -2.444 -4.190 -14.391 1.00 0.00 N ATOM 0 H LYS A 108 1.289 -3.444 -7.881 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.649 -3.736 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.111 -3.270 -10.263 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.111 -5.021 -10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.507 -4.819 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.272 -3.162 -10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.664 -4.403 -12.422 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.784 -5.715 -12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.705 -4.320 -12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.712 -2.877 -12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.170 -3.713 -14.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.506 -3.814 -14.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.468 -5.212 -14.583 1.00 0.00 H new ATOM 912 N GLU A 109 -1.432 -6.351 -8.043 1.00 0.00 N ATOM 913 CA GLU A 109 -1.359 -7.720 -7.538 1.00 0.00 C ATOM 914 C GLU A 109 -0.141 -8.440 -8.111 1.00 0.00 C ATOM 915 O GLU A 109 0.226 -8.243 -9.269 1.00 0.00 O ATOM 916 CB GLU A 109 -2.620 -8.500 -7.915 1.00 0.00 C ATOM 917 CG GLU A 109 -2.905 -9.558 -6.848 1.00 0.00 C ATOM 918 CD GLU A 109 -4.359 -10.003 -6.949 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.671 -10.738 -7.872 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.140 -9.603 -6.101 1.00 0.00 O ATOM 0 H GLU A 109 -2.284 -6.133 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.273 -7.670 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.468 -7.820 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.489 -8.975 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.242 -10.413 -6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.706 -9.152 -5.856 1.00 0.00 H new ATOM 927 N ARG A 110 0.481 -9.275 -7.283 1.00 0.00 N ATOM 928 CA ARG A 110 1.662 -10.025 -7.708 1.00 0.00 C ATOM 929 C ARG A 110 2.782 -9.073 -8.120 1.00 0.00 C ATOM 930 O ARG A 110 3.561 -9.362 -9.028 1.00 0.00 O ATOM 931 CB ARG A 110 1.323 -10.940 -8.887 1.00 0.00 C ATOM 932 CG ARG A 110 0.504 -12.132 -8.388 1.00 0.00 C ATOM 933 CD ARG A 110 0.580 -13.268 -9.409 1.00 0.00 C ATOM 934 NE ARG A 110 -0.461 -13.121 -10.422 1.00 0.00 N ATOM 935 CZ ARG A 110 -0.308 -13.634 -11.640 1.00 0.00 C ATOM 936 NH1 ARG A 110 0.381 -12.986 -12.540 1.00 0.00 N ATOM 937 NH2 ARG A 110 -0.847 -14.785 -11.935 1.00 0.00 N ATOM 0 H ARG A 110 0.191 -9.449 -6.321 1.00 0.00 H new ATOM 0 HA ARG A 110 1.994 -10.631 -6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.760 -10.388 -9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.238 -11.289 -9.366 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.884 -12.470 -7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.534 -11.835 -8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.560 -13.271 -9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.469 -14.227 -8.903 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.318 -12.618 -10.193 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.802 -12.086 -12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.498 -13.380 -13.474 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.385 -15.291 -11.232 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.730 -15.179 -12.869 1.00 0.00 H new ATOM 951 N ASP A 111 2.852 -7.933 -7.439 1.00 0.00 N ATOM 952 CA ASP A 111 3.880 -6.939 -7.737 1.00 0.00 C ATOM 953 C ASP A 111 4.837 -6.797 -6.559 1.00 0.00 C ATOM 954 O ASP A 111 4.454 -6.977 -5.403 1.00 0.00 O ATOM 955 CB ASP A 111 3.243 -5.579 -8.029 1.00 0.00 C ATOM 956 CG ASP A 111 4.264 -4.673 -8.710 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.132 -4.168 -8.017 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.163 -4.498 -9.912 1.00 0.00 O ATOM 0 H ASP A 111 2.216 -7.675 -6.684 1.00 0.00 H new ATOM 0 HA ASP A 111 4.430 -7.276 -8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.369 -5.705 -8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 111 2.896 -5.122 -7.102 1.00 0.00 H new ATOM 963 N ALA A 112 6.091 -6.472 -6.865 1.00 0.00 N ATOM 964 CA ALA A 112 7.100 -6.307 -5.823 1.00 0.00 C ATOM 965 C ALA A 112 7.169 -4.852 -5.371 1.00 0.00 C ATOM 966 O ALA A 112 7.177 -3.932 -6.189 1.00 0.00 O ATOM 967 CB ALA A 112 8.476 -6.734 -6.339 1.00 0.00 C ATOM 0 H ALA A 112 6.430 -6.319 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 112 6.817 -6.936 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.217 -6.605 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.443 -7.782 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.749 -6.120 -7.197 1.00 0.00 H new ATOM 973 N VAL A 113 7.220 -4.657 -4.057 1.00 0.00 N ATOM 974 CA VAL A 113 7.290 -3.309 -3.498 1.00 0.00 C ATOM 975 C VAL A 113 8.534 -3.160 -2.628 1.00 0.00 C ATOM 976 O VAL A 113 9.006 -4.123 -2.024 1.00 0.00 O ATOM 977 CB VAL A 113 6.051 -3.015 -2.651 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.813 -2.988 -3.549 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.886 -4.107 -1.591 1.00 0.00 C ATOM 0 H VAL A 113 7.214 -5.406 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 113 7.337 -2.602 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 113 6.168 -2.048 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.930 -2.778 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.929 -2.211 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.697 -3.955 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.003 -3.898 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.770 -5.074 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.767 -4.128 -0.950 1.00 0.00 H new ATOM 989 N GLN A 114 9.061 -1.940 -2.571 1.00 0.00 N ATOM 990 CA GLN A 114 10.253 -1.673 -1.773 1.00 0.00 C ATOM 991 C GLN A 114 9.869 -1.046 -0.436 1.00 0.00 C ATOM 992 O GLN A 114 8.926 -0.258 -0.352 1.00 0.00 O ATOM 993 CB GLN A 114 11.196 -0.725 -2.516 1.00 0.00 C ATOM 994 CG GLN A 114 11.973 -1.506 -3.577 1.00 0.00 C ATOM 995 CD GLN A 114 13.144 -0.664 -4.075 1.00 0.00 C ATOM 996 OE1 GLN A 114 13.064 0.564 -4.105 1.00 0.00 O ATOM 997 NE2 GLN A 114 14.237 -1.257 -4.471 1.00 0.00 N ATOM 0 H GLN A 114 8.686 -1.129 -3.062 1.00 0.00 H new ATOM 0 HA GLN A 114 10.759 -2.622 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.627 0.078 -2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.887 -0.258 -1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.338 -2.444 -3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.316 -1.762 -4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.303 -2.275 -4.446 1.00 0.00 H new ATOM 0 HE22 GLN A 114 15.025 -0.703 -4.805 1.00 0.00 H new ATOM 1006 N GLY A 115 10.610 -1.405 0.608 1.00 0.00 N ATOM 1007 CA GLY A 115 10.342 -0.873 1.942 1.00 0.00 C ATOM 1008 C GLY A 115 10.478 0.646 1.955 1.00 0.00 C ATOM 1009 O GLY A 115 11.576 1.186 1.834 1.00 0.00 O ATOM 0 H GLY A 115 11.394 -2.056 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.337 -1.156 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 115 11.036 -1.311 2.660 1.00 0.00 H new ATOM 1013 N GLY A 116 9.346 1.328 2.101 1.00 0.00 N ATOM 1014 CA GLY A 116 9.347 2.788 2.125 1.00 0.00 C ATOM 1015 C GLY A 116 8.699 3.356 0.863 1.00 0.00 C ATOM 1016 O GLY A 116 8.155 4.460 0.874 1.00 0.00 O ATOM 0 H GLY A 116 8.426 0.900 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.809 3.141 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.371 3.153 2.209 1.00 0.00 H new ATOM 1020 N GLN A 117 8.766 2.590 -0.225 1.00 0.00 N ATOM 1021 CA GLN A 117 8.184 3.030 -1.493 1.00 0.00 C ATOM 1022 C GLN A 117 6.685 3.277 -1.341 1.00 0.00 C ATOM 1023 O GLN A 117 5.982 2.522 -0.670 1.00 0.00 O ATOM 1024 CB GLN A 117 8.406 1.973 -2.577 1.00 0.00 C ATOM 1025 CG GLN A 117 8.324 2.630 -3.956 1.00 0.00 C ATOM 1026 CD GLN A 117 8.865 1.670 -5.010 1.00 0.00 C ATOM 1027 OE1 GLN A 117 10.078 1.544 -5.181 1.00 0.00 O ATOM 1028 NE2 GLN A 117 8.030 0.977 -5.734 1.00 0.00 N ATOM 0 H GLN A 117 9.211 1.673 -0.256 1.00 0.00 H new ATOM 0 HA GLN A 117 8.675 3.959 -1.782 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.379 1.501 -2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.656 1.187 -2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.291 2.893 -4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.898 3.557 -3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.025 1.081 -5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.382 0.331 -6.441 1.00 0.00 H new ATOM 1037 N GLY A 118 6.208 4.345 -1.974 1.00 0.00 N ATOM 1038 CA GLY A 118 4.789 4.688 -1.906 1.00 0.00 C ATOM 1039 C GLY A 118 3.933 3.572 -2.491 1.00 0.00 C ATOM 1040 O GLY A 118 4.104 3.179 -3.645 1.00 0.00 O ATOM 0 H GLY A 118 6.775 4.982 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.503 4.866 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.608 5.615 -2.451 1.00 0.00 H new ATOM 1044 N LEU A 119 3.008 3.065 -1.681 1.00 0.00 N ATOM 1045 CA LEU A 119 2.126 1.990 -2.126 1.00 0.00 C ATOM 1046 C LEU A 119 0.891 2.565 -2.812 1.00 0.00 C ATOM 1047 O LEU A 119 0.570 2.207 -3.946 1.00 0.00 O ATOM 1048 CB LEU A 119 1.684 1.134 -0.939 1.00 0.00 C ATOM 1049 CG LEU A 119 2.810 0.410 -0.198 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.281 -0.136 1.130 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.319 -0.750 -1.057 1.00 0.00 C ATOM 0 H LEU A 119 2.850 3.377 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 119 2.679 1.371 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.156 1.771 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.969 0.392 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 119 3.625 1.108 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.084 -0.652 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.915 0.688 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.466 -0.834 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.121 -1.267 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.503 -1.446 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.696 -0.363 -2.004 1.00 0.00 H new ATOM 1063 N ILE A 120 0.201 3.461 -2.111 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.001 4.083 -2.662 1.00 0.00 C ATOM 1065 C ILE A 120 -1.067 5.555 -2.268 1.00 0.00 C ATOM 1066 O ILE A 120 -0.583 5.953 -1.207 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.257 3.374 -2.148 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.132 1.866 -2.392 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.486 3.905 -2.888 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.313 1.134 -1.745 1.00 0.00 C ATOM 0 H ILE A 120 0.449 3.770 -1.171 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.955 3.998 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.364 3.564 -1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.109 1.663 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.193 1.498 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.379 3.399 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.580 4.977 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.377 3.718 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.218 0.063 -1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.316 1.326 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.246 1.492 -2.180 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.676 6.359 -3.134 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.808 7.789 -2.872 1.00 0.00 C ATOM 1084 C LYS A 121 -3.198 8.101 -2.327 1.00 0.00 C ATOM 1085 O LYS A 121 -4.209 7.676 -2.887 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.584 8.593 -4.154 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.023 9.971 -3.802 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.073 10.434 -4.908 1.00 0.00 C ATOM 1089 CE LYS A 121 0.593 11.747 -4.494 1.00 0.00 C ATOM 1090 NZ LYS A 121 -0.232 12.924 -4.890 1.00 0.00 N ATOM 0 H LYS A 121 -2.083 6.049 -4.016 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.055 8.068 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.893 8.065 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.523 8.699 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.836 10.687 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.495 9.928 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.685 9.673 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.622 10.571 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.746 11.755 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.578 11.819 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 0.247 13.799 -4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.357 12.929 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.162 12.867 -4.429 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.238 8.845 -1.226 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.511 9.206 -0.609 1.00 0.00 C ATOM 1106 C ILE A 122 -4.816 10.683 -0.838 1.00 0.00 C ATOM 1107 O ILE A 122 -3.917 11.524 -0.853 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.475 8.932 0.899 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.995 7.493 1.158 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.875 9.124 1.491 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.937 6.483 0.489 1.00 0.00 C ATOM 0 H ILE A 122 -2.414 9.207 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.290 8.598 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.784 9.629 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.983 7.366 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.953 7.305 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.847 8.929 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.206 10.148 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.570 8.432 1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.582 5.471 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.942 6.599 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.957 6.661 -0.586 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.098 10.988 -1.016 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.519 12.369 -1.244 1.00 0.00 C ATOM 1125 C GLY A 123 -6.763 12.623 -2.728 1.00 0.00 C ATOM 1126 O GLY A 123 -7.148 11.690 -3.412 1.00 0.00 O ATOM 1127 OXT GLY A 123 -6.561 13.747 -3.156 1.00 0.00 O ATOM 0 H GLY A 123 -6.857 10.307 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.429 12.574 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.755 13.053 -0.874 1.00 0.00 H new TER 1131 GLY A 123