USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=9 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 -18:sc= -1.41! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= 0.473 (180deg=0.315) 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 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc=0.000267 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= -0.123 X(o=-0.12,f=-0.19) 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+ 165:sc= 0 (180deg=-0.273) USER MOD Single : A 108 LYS NZ :NH3+ -146:sc= 1.24 (180deg=0.35) USER MOD Single : A 114 GLN : amide:sc= -0.746 K(o=-0.75,f=-3.4!) USER MOD Single : A 117 GLN : amide:sc= -2.01 K(o=-2,f=-2.7!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 15.760 7.403 5.842 1.00 0.00 N ATOM 2 CA ALA A 47 15.264 6.770 4.588 1.00 0.00 C ATOM 3 C ALA A 47 16.344 5.850 4.032 1.00 0.00 C ATOM 4 O ALA A 47 17.443 6.291 3.693 1.00 0.00 O ATOM 5 CB ALA A 47 14.913 7.821 3.533 1.00 0.00 C ATOM 0 HA ALA A 47 14.362 6.206 4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.555 7.325 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.134 8.479 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.800 8.409 3.296 1.00 0.00 H new ATOM 13 N GLY A 48 16.019 4.564 3.941 1.00 0.00 N ATOM 14 CA GLY A 48 16.971 3.582 3.423 1.00 0.00 C ATOM 15 C GLY A 48 16.452 2.952 2.136 1.00 0.00 C ATOM 16 O GLY A 48 16.914 3.272 1.040 1.00 0.00 O ATOM 0 H GLY A 48 15.115 4.179 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.931 4.063 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.143 2.806 4.169 1.00 0.00 H new ATOM 20 N ALA A 49 15.484 2.050 2.281 1.00 0.00 N ATOM 21 CA ALA A 49 14.905 1.376 1.122 1.00 0.00 C ATOM 22 C ALA A 49 13.491 1.885 0.861 1.00 0.00 C ATOM 23 O ALA A 49 12.619 1.142 0.412 1.00 0.00 O ATOM 24 CB ALA A 49 14.857 -0.137 1.352 1.00 0.00 C ATOM 0 H ALA A 49 15.088 1.771 3.179 1.00 0.00 H new ATOM 0 HA ALA A 49 15.533 1.592 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.423 -0.624 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.868 -0.513 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.246 -0.353 2.229 1.00 0.00 H new ATOM 30 N GLY A 50 13.275 3.167 1.148 1.00 0.00 N ATOM 31 CA GLY A 50 11.963 3.774 0.942 1.00 0.00 C ATOM 32 C GLY A 50 12.044 4.898 -0.083 1.00 0.00 C ATOM 33 O GLY A 50 13.124 5.407 -0.381 1.00 0.00 O ATOM 0 H GLY A 50 13.984 3.799 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.256 3.017 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.585 4.164 1.887 1.00 0.00 H new ATOM 37 N LYS A 51 10.889 5.284 -0.618 1.00 0.00 N ATOM 38 CA LYS A 51 10.845 6.354 -1.609 1.00 0.00 C ATOM 39 C LYS A 51 9.403 6.789 -1.875 1.00 0.00 C ATOM 40 O LYS A 51 8.905 6.705 -3.000 1.00 0.00 O ATOM 41 CB LYS A 51 11.496 5.896 -2.918 1.00 0.00 C ATOM 42 CG LYS A 51 10.788 4.643 -3.436 1.00 0.00 C ATOM 43 CD LYS A 51 11.793 3.757 -4.176 1.00 0.00 C ATOM 44 CE LYS A 51 12.679 3.033 -3.160 1.00 0.00 C ATOM 45 NZ LYS A 51 13.876 2.431 -3.814 1.00 0.00 N ATOM 0 H LYS A 51 9.982 4.878 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 51 11.400 7.204 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.439 6.691 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.553 5.687 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.345 4.093 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.973 4.923 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.267 3.032 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.406 4.363 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.998 3.734 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.103 2.252 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.456 1.948 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.570 1.745 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.438 3.180 -4.267 1.00 0.00 H new ATOM 59 N ALA A 52 8.738 7.264 -0.825 1.00 0.00 N ATOM 60 CA ALA A 52 7.355 7.718 -0.954 1.00 0.00 C ATOM 61 C ALA A 52 7.178 9.080 -0.293 1.00 0.00 C ATOM 62 O ALA A 52 7.828 9.392 0.706 1.00 0.00 O ATOM 63 CB ALA A 52 6.393 6.725 -0.302 1.00 0.00 C ATOM 0 H ALA A 52 9.128 7.344 0.114 1.00 0.00 H new ATOM 0 HA ALA A 52 7.130 7.793 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.370 7.085 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.490 5.753 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.633 6.628 0.757 1.00 0.00 H new ATOM 69 N GLY A 53 6.286 9.884 -0.860 1.00 0.00 N ATOM 70 CA GLY A 53 6.018 11.213 -0.321 1.00 0.00 C ATOM 71 C GLY A 53 4.580 11.625 -0.607 1.00 0.00 C ATOM 72 O GLY A 53 3.764 10.813 -1.044 1.00 0.00 O ATOM 0 H GLY A 53 5.740 9.642 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.197 11.219 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.704 11.936 -0.762 1.00 0.00 H new ATOM 76 N GLU A 54 4.273 12.897 -0.357 1.00 0.00 N ATOM 77 CA GLU A 54 2.922 13.406 -0.595 1.00 0.00 C ATOM 78 C GLU A 54 1.913 12.625 0.269 1.00 0.00 C ATOM 79 O GLU A 54 2.240 12.222 1.385 1.00 0.00 O ATOM 80 CB GLU A 54 2.586 13.285 -2.088 1.00 0.00 C ATOM 81 CG GLU A 54 1.678 14.446 -2.502 1.00 0.00 C ATOM 82 CD GLU A 54 2.500 15.727 -2.597 1.00 0.00 C ATOM 83 OE1 GLU A 54 3.099 15.946 -3.636 1.00 0.00 O ATOM 84 OE2 GLU A 54 2.518 16.468 -1.629 1.00 0.00 O ATOM 0 H GLU A 54 4.931 13.587 0.006 1.00 0.00 H new ATOM 0 HA GLU A 54 2.866 14.458 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.501 13.296 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.091 12.334 -2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.209 14.230 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.875 14.570 -1.776 1.00 0.00 H new ATOM 91 N GLY A 55 0.691 12.403 -0.237 1.00 0.00 N ATOM 92 CA GLY A 55 -0.310 11.665 0.531 1.00 0.00 C ATOM 93 C GLY A 55 -0.233 10.158 0.259 1.00 0.00 C ATOM 94 O GLY A 55 -1.195 9.427 0.498 1.00 0.00 O ATOM 0 H GLY A 55 0.381 12.718 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.163 11.851 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.305 12.030 0.278 1.00 0.00 H new ATOM 98 N GLU A 56 0.918 9.695 -0.235 1.00 0.00 N ATOM 99 CA GLU A 56 1.099 8.277 -0.524 1.00 0.00 C ATOM 100 C GLU A 56 1.502 7.530 0.743 1.00 0.00 C ATOM 101 O GLU A 56 2.330 8.004 1.520 1.00 0.00 O ATOM 102 CB GLU A 56 2.191 8.085 -1.578 1.00 0.00 C ATOM 103 CG GLU A 56 1.781 8.785 -2.874 1.00 0.00 C ATOM 104 CD GLU A 56 2.985 8.875 -3.807 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.077 9.096 -3.311 1.00 0.00 O ATOM 106 OE2 GLU A 56 2.795 8.721 -5.002 1.00 0.00 O ATOM 0 H GLU A 56 1.729 10.278 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 56 0.155 7.882 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.135 8.492 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.351 7.022 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.974 8.235 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.401 9.783 -2.656 1.00 0.00 H new ATOM 113 N ILE A 57 0.910 6.355 0.942 1.00 0.00 N ATOM 114 CA ILE A 57 1.222 5.550 2.119 1.00 0.00 C ATOM 115 C ILE A 57 2.494 4.729 1.873 1.00 0.00 C ATOM 116 O ILE A 57 2.484 3.798 1.067 1.00 0.00 O ATOM 117 CB ILE A 57 0.067 4.601 2.441 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.238 5.403 2.550 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.342 3.875 3.764 1.00 0.00 C ATOM 120 CD1 ILE A 57 -1.148 6.441 3.677 1.00 0.00 C ATOM 0 H ILE A 57 0.221 5.944 0.313 1.00 0.00 H new ATOM 0 HA ILE A 57 1.378 6.224 2.962 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.026 3.863 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.442 5.904 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.071 4.726 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.485 3.201 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.265 3.302 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.441 4.606 4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.084 6.997 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.967 5.934 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.329 7.130 3.472 1.00 0.00 H new ATOM 132 N PRO A 58 3.604 5.054 2.554 1.00 0.00 N ATOM 133 CA PRO A 58 4.869 4.324 2.376 1.00 0.00 C ATOM 134 C PRO A 58 4.815 2.924 2.984 1.00 0.00 C ATOM 135 O PRO A 58 4.402 2.743 4.129 1.00 0.00 O ATOM 136 CB PRO A 58 5.898 5.185 3.106 1.00 0.00 C ATOM 137 CG PRO A 58 5.115 5.945 4.119 1.00 0.00 C ATOM 138 CD PRO A 58 3.742 6.141 3.543 1.00 0.00 C ATOM 0 HA PRO A 58 5.103 4.173 1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.663 4.570 3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.410 5.857 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.065 5.398 5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.586 6.905 4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.974 6.077 4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.643 7.120 3.075 1.00 0.00 H new ATOM 146 N ALA A 59 5.235 1.934 2.198 1.00 0.00 N ATOM 147 CA ALA A 59 5.230 0.548 2.663 1.00 0.00 C ATOM 148 C ALA A 59 6.109 0.393 3.909 1.00 0.00 C ATOM 149 O ALA A 59 7.129 1.069 4.042 1.00 0.00 O ATOM 150 CB ALA A 59 5.745 -0.387 1.565 1.00 0.00 C ATOM 0 H ALA A 59 5.579 2.063 1.247 1.00 0.00 H new ATOM 0 HA ALA A 59 4.203 0.282 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.735 -1.415 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.104 -0.306 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.764 -0.107 1.297 1.00 0.00 H new ATOM 156 N PRO A 60 5.725 -0.497 4.836 1.00 0.00 N ATOM 157 CA PRO A 60 6.490 -0.725 6.070 1.00 0.00 C ATOM 158 C PRO A 60 7.755 -1.545 5.830 1.00 0.00 C ATOM 159 O PRO A 60 8.751 -1.400 6.540 1.00 0.00 O ATOM 160 CB PRO A 60 5.525 -1.500 6.963 1.00 0.00 C ATOM 161 CG PRO A 60 4.587 -2.184 6.027 1.00 0.00 C ATOM 162 CD PRO A 60 4.524 -1.353 4.776 1.00 0.00 C ATOM 0 HA PRO A 60 6.832 0.214 6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.057 -2.221 7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.990 -0.831 7.638 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.935 -3.192 5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.598 -2.280 6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.528 -1.979 3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.613 -0.756 4.742 1.00 0.00 H new ATOM 170 N LEU A 61 7.701 -2.413 4.824 1.00 0.00 N ATOM 171 CA LEU A 61 8.846 -3.260 4.500 1.00 0.00 C ATOM 172 C LEU A 61 8.770 -3.732 3.052 1.00 0.00 C ATOM 173 O LEU A 61 7.723 -3.648 2.409 1.00 0.00 O ATOM 174 CB LEU A 61 8.882 -4.483 5.418 1.00 0.00 C ATOM 175 CG LEU A 61 7.632 -5.368 5.379 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.766 -6.396 4.254 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.482 -6.096 6.717 1.00 0.00 C ATOM 0 H LEU A 61 6.887 -2.548 4.225 1.00 0.00 H new ATOM 0 HA LEU A 61 9.751 -2.669 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.746 -5.091 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.035 -4.143 6.442 1.00 0.00 H new ATOM 0 HG LEU A 61 6.754 -4.747 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.876 -7.025 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.874 -5.880 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.644 -7.017 4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.593 -6.726 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.361 -6.716 6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.385 -5.365 7.520 1.00 0.00 H new ATOM 189 N ALA A 62 9.894 -4.232 2.548 1.00 0.00 N ATOM 190 CA ALA A 62 9.950 -4.721 1.174 1.00 0.00 C ATOM 191 C ALA A 62 9.356 -6.123 1.083 1.00 0.00 C ATOM 192 O ALA A 62 9.951 -7.097 1.543 1.00 0.00 O ATOM 193 CB ALA A 62 11.399 -4.759 0.679 1.00 0.00 C ATOM 0 H ALA A 62 10.770 -4.309 3.064 1.00 0.00 H new ATOM 0 HA ALA A 62 9.371 -4.041 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.423 -5.126 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.822 -3.755 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.984 -5.423 1.316 1.00 0.00 H new ATOM 199 N GLY A 63 8.172 -6.212 0.483 1.00 0.00 N ATOM 200 CA GLY A 63 7.501 -7.500 0.334 1.00 0.00 C ATOM 201 C GLY A 63 6.952 -7.662 -1.078 1.00 0.00 C ATOM 202 O GLY A 63 7.536 -7.176 -2.047 1.00 0.00 O ATOM 0 H GLY A 63 7.662 -5.418 0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.200 -8.307 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.689 -7.578 1.056 1.00 0.00 H new ATOM 206 N THR A 64 5.821 -8.352 -1.184 1.00 0.00 N ATOM 207 CA THR A 64 5.197 -8.575 -2.485 1.00 0.00 C ATOM 208 C THR A 64 3.691 -8.354 -2.397 1.00 0.00 C ATOM 209 O THR A 64 3.042 -8.772 -1.438 1.00 0.00 O ATOM 210 CB THR A 64 5.464 -10.001 -2.972 1.00 0.00 C ATOM 211 OG1 THR A 64 6.776 -10.392 -2.592 1.00 0.00 O ATOM 212 CG2 THR A 64 5.334 -10.054 -4.495 1.00 0.00 C ATOM 0 H THR A 64 5.322 -8.763 -0.395 1.00 0.00 H new ATOM 0 HA THR A 64 5.629 -7.865 -3.191 1.00 0.00 H new ATOM 0 HB THR A 64 4.739 -10.680 -2.524 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.948 -11.306 -2.902 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.524 -11.070 -4.841 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.327 -9.755 -4.785 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.058 -9.375 -4.946 1.00 0.00 H new ATOM 220 N VAL A 65 3.143 -7.693 -3.412 1.00 0.00 N ATOM 221 CA VAL A 65 1.708 -7.421 -3.445 1.00 0.00 C ATOM 222 C VAL A 65 0.936 -8.715 -3.684 1.00 0.00 C ATOM 223 O VAL A 65 1.100 -9.373 -4.711 1.00 0.00 O ATOM 224 CB VAL A 65 1.376 -6.423 -4.556 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.101 -6.033 -4.475 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.239 -5.169 -4.391 1.00 0.00 C ATOM 0 H VAL A 65 3.663 -7.339 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 65 1.419 -6.994 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 65 1.578 -6.883 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.334 -5.322 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.719 -6.923 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.304 -5.576 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.003 -4.458 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.037 -4.713 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.293 -5.442 -4.451 1.00 0.00 H new ATOM 236 N SER A 66 0.096 -9.075 -2.718 1.00 0.00 N ATOM 237 CA SER A 66 -0.695 -10.297 -2.829 1.00 0.00 C ATOM 238 C SER A 66 -2.092 -9.993 -3.363 1.00 0.00 C ATOM 239 O SER A 66 -2.538 -10.588 -4.343 1.00 0.00 O ATOM 240 CB SER A 66 -0.820 -10.979 -1.468 1.00 0.00 C ATOM 241 OG SER A 66 -1.221 -10.021 -0.498 1.00 0.00 O ATOM 0 H SER A 66 -0.054 -8.546 -1.859 1.00 0.00 H new ATOM 0 HA SER A 66 -0.182 -10.961 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.548 -11.788 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.133 -11.425 -1.183 1.00 0.00 H new ATOM 0 HG SER A 66 -1.056 -9.118 -0.842 1.00 0.00 H new ATOM 247 N LYS A 67 -2.783 -9.065 -2.705 1.00 0.00 N ATOM 248 CA LYS A 67 -4.137 -8.702 -3.127 1.00 0.00 C ATOM 249 C LYS A 67 -4.423 -7.235 -2.819 1.00 0.00 C ATOM 250 O LYS A 67 -3.965 -6.696 -1.813 1.00 0.00 O ATOM 251 CB LYS A 67 -5.185 -9.562 -2.406 1.00 0.00 C ATOM 252 CG LYS A 67 -4.754 -11.031 -2.410 1.00 0.00 C ATOM 253 CD LYS A 67 -5.926 -11.910 -1.970 1.00 0.00 C ATOM 254 CE LYS A 67 -5.565 -13.382 -2.171 1.00 0.00 C ATOM 255 NZ LYS A 67 -6.768 -14.198 -2.505 1.00 0.00 N ATOM 0 H LYS A 67 -2.437 -8.557 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.199 -8.874 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.309 -9.214 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.153 -9.458 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.423 -11.321 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.907 -11.174 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.161 -11.722 -0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.817 -11.661 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.830 -13.472 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.100 -13.771 -1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.489 -15.191 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.459 -14.131 -1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.197 -13.841 -3.383 1.00 0.00 H new ATOM 269 N ILE A 68 -5.197 -6.602 -3.697 1.00 0.00 N ATOM 270 CA ILE A 68 -5.554 -5.198 -3.511 1.00 0.00 C ATOM 271 C ILE A 68 -6.975 -5.089 -2.967 1.00 0.00 C ATOM 272 O ILE A 68 -7.910 -5.680 -3.507 1.00 0.00 O ATOM 273 CB ILE A 68 -5.465 -4.440 -4.839 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.090 -4.674 -5.469 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.660 -2.942 -4.588 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.126 -4.261 -6.941 1.00 0.00 C ATOM 0 H ILE A 68 -5.586 -7.033 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.854 -4.758 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.242 -4.800 -5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.332 -4.099 -4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.812 -5.724 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.596 -2.403 -5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.639 -2.773 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.884 -2.582 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.147 -4.428 -7.390 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.872 -4.856 -7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.385 -3.205 -7.016 1.00 0.00 H new ATOM 288 N LEU A 69 -7.127 -4.331 -1.884 1.00 0.00 N ATOM 289 CA LEU A 69 -8.439 -4.158 -1.267 1.00 0.00 C ATOM 290 C LEU A 69 -9.087 -2.856 -1.727 1.00 0.00 C ATOM 291 O LEU A 69 -10.249 -2.837 -2.133 1.00 0.00 O ATOM 292 CB LEU A 69 -8.314 -4.140 0.257 1.00 0.00 C ATOM 293 CG LEU A 69 -8.124 -5.508 0.916 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.416 -5.333 2.260 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.491 -6.158 1.142 1.00 0.00 C ATOM 0 H LEU A 69 -6.368 -3.832 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.063 -4.997 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.471 -3.505 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.209 -3.676 0.673 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.521 -6.143 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.281 -6.307 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.443 -4.869 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.019 -4.698 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.357 -7.133 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.093 -5.522 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.997 -6.283 0.185 1.00 0.00 H new ATOM 307 N VAL A 70 -8.328 -1.767 -1.656 1.00 0.00 N ATOM 308 CA VAL A 70 -8.848 -0.466 -2.067 1.00 0.00 C ATOM 309 C VAL A 70 -8.499 -0.179 -3.523 1.00 0.00 C ATOM 310 O VAL A 70 -7.441 -0.572 -4.015 1.00 0.00 O ATOM 311 CB VAL A 70 -8.275 0.648 -1.184 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.712 0.425 0.264 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.745 0.634 -1.259 1.00 0.00 C ATOM 0 H VAL A 70 -7.364 -1.757 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.932 -0.493 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.645 1.611 -1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.305 1.217 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.800 0.439 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.343 -0.540 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.343 1.428 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.372 -0.329 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.430 0.794 -2.290 1.00 0.00 H new ATOM 323 N LYS A 71 -9.404 0.516 -4.205 1.00 0.00 N ATOM 324 CA LYS A 71 -9.191 0.862 -5.606 1.00 0.00 C ATOM 325 C LYS A 71 -9.567 2.320 -5.847 1.00 0.00 C ATOM 326 O LYS A 71 -10.264 2.936 -5.042 1.00 0.00 O ATOM 327 CB LYS A 71 -10.037 -0.031 -6.515 1.00 0.00 C ATOM 328 CG LYS A 71 -11.501 0.029 -6.072 1.00 0.00 C ATOM 329 CD LYS A 71 -12.359 -0.801 -7.030 1.00 0.00 C ATOM 330 CE LYS A 71 -13.553 -1.383 -6.273 1.00 0.00 C ATOM 331 NZ LYS A 71 -14.751 -0.503 -6.386 1.00 0.00 N ATOM 0 H LYS A 71 -10.285 0.849 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.137 0.711 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.946 0.296 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.675 -1.058 -6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.600 -0.352 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.846 1.063 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.706 -0.179 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.764 -1.604 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.788 -2.372 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.292 -1.512 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.606 -1.049 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.660 0.294 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.825 -0.140 -7.358 1.00 0.00 H new ATOM 345 N GLU A 72 -9.097 2.865 -6.966 1.00 0.00 N ATOM 346 CA GLU A 72 -9.390 4.257 -7.306 1.00 0.00 C ATOM 347 C GLU A 72 -10.897 4.476 -7.415 1.00 0.00 C ATOM 348 O GLU A 72 -11.525 4.100 -8.404 1.00 0.00 O ATOM 349 CB GLU A 72 -8.735 4.634 -8.638 1.00 0.00 C ATOM 350 CG GLU A 72 -7.218 4.432 -8.545 1.00 0.00 C ATOM 351 CD GLU A 72 -6.834 3.114 -9.210 1.00 0.00 C ATOM 352 OE1 GLU A 72 -7.161 2.076 -8.657 1.00 0.00 O ATOM 353 OE2 GLU A 72 -6.218 3.162 -10.262 1.00 0.00 O ATOM 0 H GLU A 72 -8.518 2.372 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.988 4.887 -6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.144 4.022 -9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.959 5.672 -8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.701 5.260 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.905 4.429 -7.501 1.00 0.00 H new ATOM 360 N GLY A 73 -11.467 5.090 -6.382 1.00 0.00 N ATOM 361 CA GLY A 73 -12.903 5.356 -6.364 1.00 0.00 C ATOM 362 C GLY A 73 -13.481 5.115 -4.973 1.00 0.00 C ATOM 363 O GLY A 73 -14.439 5.769 -4.562 1.00 0.00 O ATOM 0 H GLY A 73 -10.964 5.410 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.090 6.386 -6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.405 4.714 -7.088 1.00 0.00 H new ATOM 367 N ASP A 74 -12.886 4.168 -4.252 1.00 0.00 N ATOM 368 CA ASP A 74 -13.350 3.848 -2.905 1.00 0.00 C ATOM 369 C ASP A 74 -12.628 4.708 -1.875 1.00 0.00 C ATOM 370 O ASP A 74 -11.478 5.101 -2.068 1.00 0.00 O ATOM 371 CB ASP A 74 -13.098 2.373 -2.586 1.00 0.00 C ATOM 372 CG ASP A 74 -14.129 1.512 -3.306 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.455 1.834 -4.437 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.579 0.543 -2.716 1.00 0.00 O ATOM 0 H ASP A 74 -12.091 3.615 -4.573 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.420 4.050 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.092 2.090 -2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.158 2.207 -1.510 1.00 0.00 H new ATOM 379 N THR A 75 -13.318 4.998 -0.775 1.00 0.00 N ATOM 380 CA THR A 75 -12.737 5.815 0.285 1.00 0.00 C ATOM 381 C THR A 75 -12.172 4.929 1.392 1.00 0.00 C ATOM 382 O THR A 75 -12.755 3.903 1.743 1.00 0.00 O ATOM 383 CB THR A 75 -13.791 6.748 0.883 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.576 7.306 -0.162 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.102 7.870 1.661 1.00 0.00 C ATOM 0 H THR A 75 -14.271 4.683 -0.596 1.00 0.00 H new ATOM 0 HA THR A 75 -11.934 6.409 -0.151 1.00 0.00 H new ATOM 0 HB THR A 75 -14.433 6.183 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.253 7.903 0.220 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.855 8.534 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.502 7.441 2.463 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.457 8.436 0.989 1.00 0.00 H new ATOM 393 N VAL A 76 -11.031 5.340 1.936 1.00 0.00 N ATOM 394 CA VAL A 76 -10.391 4.578 3.005 1.00 0.00 C ATOM 395 C VAL A 76 -10.322 5.407 4.283 1.00 0.00 C ATOM 396 O VAL A 76 -10.351 6.638 4.244 1.00 0.00 O ATOM 397 CB VAL A 76 -8.974 4.171 2.600 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.040 3.183 1.434 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.191 5.414 2.170 1.00 0.00 C ATOM 0 H VAL A 76 -10.534 6.187 1.659 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.988 3.684 3.183 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.475 3.700 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.030 2.893 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.599 2.298 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.539 3.653 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.180 5.125 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.691 5.884 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.144 6.119 3.000 1.00 0.00 H new ATOM 409 N LYS A 77 -10.230 4.718 5.416 1.00 0.00 N ATOM 410 CA LYS A 77 -10.154 5.399 6.706 1.00 0.00 C ATOM 411 C LYS A 77 -8.830 5.088 7.395 1.00 0.00 C ATOM 412 O LYS A 77 -8.189 4.075 7.113 1.00 0.00 O ATOM 413 CB LYS A 77 -11.304 4.956 7.614 1.00 0.00 C ATOM 414 CG LYS A 77 -11.356 5.861 8.847 1.00 0.00 C ATOM 415 CD LYS A 77 -12.690 5.663 9.570 1.00 0.00 C ATOM 416 CE LYS A 77 -13.741 6.615 8.991 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.067 5.948 8.865 1.00 0.00 N ATOM 0 H LYS A 77 -10.206 3.700 5.469 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.227 6.471 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.249 5.005 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.164 3.918 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.529 5.628 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.242 6.904 8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.023 4.631 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.567 5.848 10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.832 7.492 9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.415 6.968 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.757 6.619 8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.983 5.126 8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.388 5.633 9.803 1.00 0.00 H new ATOM 431 N ALA A 78 -8.429 5.973 8.302 1.00 0.00 N ATOM 432 CA ALA A 78 -7.176 5.790 9.030 1.00 0.00 C ATOM 433 C ALA A 78 -7.219 4.508 9.857 1.00 0.00 C ATOM 434 O ALA A 78 -7.738 4.491 10.973 1.00 0.00 O ATOM 435 CB ALA A 78 -6.923 6.975 9.964 1.00 0.00 C ATOM 0 H ALA A 78 -8.947 6.816 8.550 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.370 5.723 8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.986 6.823 10.499 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.862 7.893 9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.741 7.055 10.680 1.00 0.00 H new ATOM 441 N GLY A 79 -6.665 3.435 9.298 1.00 0.00 N ATOM 442 CA GLY A 79 -6.643 2.152 9.998 1.00 0.00 C ATOM 443 C GLY A 79 -7.215 1.037 9.125 1.00 0.00 C ATOM 444 O GLY A 79 -6.847 -0.130 9.270 1.00 0.00 O ATOM 0 H GLY A 79 -6.231 3.426 8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.619 1.907 10.281 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.220 2.228 10.920 1.00 0.00 H new ATOM 448 N GLN A 80 -8.120 1.403 8.222 1.00 0.00 N ATOM 449 CA GLN A 80 -8.739 0.421 7.336 1.00 0.00 C ATOM 450 C GLN A 80 -7.693 -0.221 6.428 1.00 0.00 C ATOM 451 O GLN A 80 -6.759 0.437 5.969 1.00 0.00 O ATOM 452 CB GLN A 80 -9.810 1.084 6.468 1.00 0.00 C ATOM 453 CG GLN A 80 -10.605 0.008 5.725 1.00 0.00 C ATOM 454 CD GLN A 80 -11.919 0.599 5.227 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.955 0.460 5.877 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.939 1.259 4.101 1.00 0.00 N ATOM 0 H GLN A 80 -8.439 2.362 8.085 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.197 -0.347 7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.478 1.681 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.345 1.765 5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.024 -0.373 4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.801 -0.836 6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.081 1.374 3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.813 1.659 3.760 1.00 0.00 H new ATOM 465 N THR A 81 -7.865 -1.516 6.172 1.00 0.00 N ATOM 466 CA THR A 81 -6.935 -2.245 5.312 1.00 0.00 C ATOM 467 C THR A 81 -7.045 -1.747 3.875 1.00 0.00 C ATOM 468 O THR A 81 -8.140 -1.477 3.380 1.00 0.00 O ATOM 469 CB THR A 81 -7.238 -3.746 5.345 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.496 -4.146 6.683 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.038 -4.523 4.799 1.00 0.00 C ATOM 0 H THR A 81 -8.631 -2.078 6.543 1.00 0.00 H new ATOM 0 HA THR A 81 -5.925 -2.073 5.683 1.00 0.00 H new ATOM 0 HB THR A 81 -8.113 -3.954 4.729 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.692 -5.106 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.255 -5.591 4.823 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.842 -4.215 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.161 -4.317 5.413 1.00 0.00 H new ATOM 479 N VAL A 82 -5.899 -1.618 3.215 1.00 0.00 N ATOM 480 CA VAL A 82 -5.879 -1.137 1.836 1.00 0.00 C ATOM 481 C VAL A 82 -5.280 -2.178 0.891 1.00 0.00 C ATOM 482 O VAL A 82 -5.668 -2.266 -0.274 1.00 0.00 O ATOM 483 CB VAL A 82 -5.060 0.150 1.734 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.756 1.262 2.523 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.664 -0.087 2.312 1.00 0.00 C ATOM 0 H VAL A 82 -4.982 -1.836 3.605 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.912 -0.946 1.543 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.975 0.445 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.172 2.180 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.751 1.432 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.841 0.968 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.080 0.830 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.749 -0.382 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.168 -0.879 1.751 1.00 0.00 H new ATOM 495 N LEU A 83 -4.323 -2.958 1.391 1.00 0.00 N ATOM 496 CA LEU A 83 -3.683 -3.971 0.554 1.00 0.00 C ATOM 497 C LEU A 83 -2.943 -5.000 1.407 1.00 0.00 C ATOM 498 O LEU A 83 -2.483 -4.703 2.508 1.00 0.00 O ATOM 499 CB LEU A 83 -2.688 -3.301 -0.399 1.00 0.00 C ATOM 500 CG LEU A 83 -1.849 -4.248 -1.266 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.597 -3.609 -2.635 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.508 -4.516 -0.576 1.00 0.00 C ATOM 0 H LEU A 83 -3.979 -2.911 2.350 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.460 -4.481 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.240 -2.631 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.010 -2.683 0.190 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.387 -5.186 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.001 -4.285 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.550 -3.418 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.061 -2.669 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.090 -5.189 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.027 -3.576 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.685 -4.974 0.397 1.00 0.00 H new ATOM 514 N VAL A 84 -2.828 -6.218 0.875 1.00 0.00 N ATOM 515 CA VAL A 84 -2.135 -7.290 1.584 1.00 0.00 C ATOM 516 C VAL A 84 -0.777 -7.546 0.937 1.00 0.00 C ATOM 517 O VAL A 84 -0.645 -7.525 -0.287 1.00 0.00 O ATOM 518 CB VAL A 84 -2.955 -8.582 1.549 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.309 -9.620 2.468 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.381 -8.299 2.028 1.00 0.00 C ATOM 0 H VAL A 84 -3.203 -6.483 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.001 -6.981 2.621 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.984 -8.964 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.892 -10.541 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.294 -9.825 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.280 -9.236 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.963 -9.220 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.353 -7.916 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.844 -7.559 1.375 1.00 0.00 H new ATOM 530 N LEU A 85 0.233 -7.782 1.769 1.00 0.00 N ATOM 531 CA LEU A 85 1.579 -8.034 1.259 1.00 0.00 C ATOM 532 C LEU A 85 2.092 -9.389 1.734 1.00 0.00 C ATOM 533 O LEU A 85 1.507 -10.018 2.616 1.00 0.00 O ATOM 534 CB LEU A 85 2.541 -6.939 1.730 1.00 0.00 C ATOM 535 CG LEU A 85 2.617 -5.704 0.829 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.273 -4.551 1.592 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.447 -6.033 -0.414 1.00 0.00 C ATOM 0 H LEU A 85 0.149 -7.804 2.785 1.00 0.00 H new ATOM 0 HA LEU A 85 1.530 -8.032 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.243 -6.622 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.539 -7.368 1.816 1.00 0.00 H new ATOM 0 HG LEU A 85 1.611 -5.411 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.326 -3.673 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.681 -4.317 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.279 -4.841 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.503 -5.155 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.453 -6.326 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.978 -6.852 -0.958 1.00 0.00 H new ATOM 549 N GLU A 86 3.195 -9.831 1.135 1.00 0.00 N ATOM 550 CA GLU A 86 3.789 -11.115 1.499 1.00 0.00 C ATOM 551 C GLU A 86 5.288 -10.959 1.733 1.00 0.00 C ATOM 552 O GLU A 86 6.049 -10.677 0.808 1.00 0.00 O ATOM 553 CB GLU A 86 3.562 -12.144 0.390 1.00 0.00 C ATOM 554 CG GLU A 86 2.071 -12.471 0.290 1.00 0.00 C ATOM 555 CD GLU A 86 1.809 -13.268 -0.983 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.430 -12.964 -1.988 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.990 -14.171 -0.934 1.00 0.00 O ATOM 0 H GLU A 86 3.692 -9.325 0.402 1.00 0.00 H new ATOM 0 HA GLU A 86 3.311 -11.460 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.924 -11.754 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.130 -13.050 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.754 -13.044 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.486 -11.551 0.283 1.00 0.00 H new ATOM 564 N ALA A 87 5.704 -11.145 2.983 1.00 0.00 N ATOM 565 CA ALA A 87 7.117 -11.022 3.331 1.00 0.00 C ATOM 566 C ALA A 87 7.493 -12.035 4.408 1.00 0.00 C ATOM 567 O ALA A 87 6.744 -12.259 5.359 1.00 0.00 O ATOM 568 CB ALA A 87 7.422 -9.614 3.842 1.00 0.00 C ATOM 0 H ALA A 87 5.091 -11.379 3.764 1.00 0.00 H new ATOM 0 HA ALA A 87 7.702 -11.216 2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.479 -9.540 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.184 -8.886 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.820 -9.410 4.728 1.00 0.00 H new ATOM 574 N MET A 88 8.667 -12.643 4.248 1.00 0.00 N ATOM 575 CA MET A 88 9.144 -13.633 5.211 1.00 0.00 C ATOM 576 C MET A 88 8.174 -14.807 5.300 1.00 0.00 C ATOM 577 O MET A 88 8.010 -15.417 6.357 1.00 0.00 O ATOM 578 CB MET A 88 9.295 -13.004 6.599 1.00 0.00 C ATOM 579 CG MET A 88 10.257 -11.817 6.521 1.00 0.00 C ATOM 580 SD MET A 88 11.935 -12.421 6.213 1.00 0.00 S ATOM 581 CE MET A 88 12.730 -11.611 7.622 1.00 0.00 C ATOM 0 H MET A 88 9.301 -12.470 3.468 1.00 0.00 H new ATOM 0 HA MET A 88 10.115 -13.991 4.868 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.324 -12.675 6.968 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.670 -13.744 7.306 1.00 0.00 H new ATOM 0 HG2 MET A 88 9.951 -11.139 5.724 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.228 -11.250 7.451 1.00 0.00 H new ATOM 0 HE1 MET A 88 13.793 -11.852 7.628 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.603 -10.532 7.540 1.00 0.00 H new ATOM 0 HE3 MET A 88 12.274 -11.961 8.548 1.00 0.00 H new ATOM 591 N LYS A 89 7.532 -15.116 4.176 1.00 0.00 N ATOM 592 CA LYS A 89 6.575 -16.221 4.131 1.00 0.00 C ATOM 593 C LYS A 89 5.424 -15.969 5.103 1.00 0.00 C ATOM 594 O LYS A 89 4.865 -16.900 5.682 1.00 0.00 O ATOM 595 CB LYS A 89 7.260 -17.540 4.497 1.00 0.00 C ATOM 596 CG LYS A 89 7.783 -18.213 3.227 1.00 0.00 C ATOM 597 CD LYS A 89 7.747 -19.733 3.402 1.00 0.00 C ATOM 598 CE LYS A 89 7.977 -20.409 2.049 1.00 0.00 C ATOM 599 NZ LYS A 89 8.597 -21.754 2.212 1.00 0.00 N ATOM 0 H LYS A 89 7.654 -14.623 3.292 1.00 0.00 H new ATOM 0 HA LYS A 89 6.185 -16.287 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.082 -17.355 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.556 -18.198 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.175 -17.920 2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.802 -17.884 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.513 -20.046 4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.786 -20.039 3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.027 -20.506 1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.621 -19.782 1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.740 -22.186 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.514 -21.658 2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.970 -22.359 2.780 1.00 0.00 H new ATOM 613 N MET A 90 5.077 -14.696 5.273 1.00 0.00 N ATOM 614 CA MET A 90 3.992 -14.328 6.177 1.00 0.00 C ATOM 615 C MET A 90 3.189 -13.167 5.592 1.00 0.00 C ATOM 616 O MET A 90 3.731 -12.099 5.310 1.00 0.00 O ATOM 617 CB MET A 90 4.554 -13.923 7.550 1.00 0.00 C ATOM 618 CG MET A 90 3.864 -14.727 8.656 1.00 0.00 C ATOM 619 SD MET A 90 2.135 -14.206 8.791 1.00 0.00 S ATOM 620 CE MET A 90 1.638 -15.401 10.056 1.00 0.00 C ATOM 0 H MET A 90 5.526 -13.910 4.802 1.00 0.00 H new ATOM 0 HA MET A 90 3.338 -15.192 6.300 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.629 -14.099 7.578 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.401 -12.856 7.715 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.918 -15.793 8.433 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.377 -14.574 9.606 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.585 -15.258 10.298 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.790 -16.413 9.680 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.239 -15.253 10.953 1.00 0.00 H new ATOM 630 N GLU A 91 1.891 -13.391 5.415 1.00 0.00 N ATOM 631 CA GLU A 91 1.017 -12.359 4.862 1.00 0.00 C ATOM 632 C GLU A 91 0.988 -11.137 5.776 1.00 0.00 C ATOM 633 O GLU A 91 0.705 -11.242 6.969 1.00 0.00 O ATOM 634 CB GLU A 91 -0.408 -12.893 4.700 1.00 0.00 C ATOM 635 CG GLU A 91 -0.528 -13.631 3.365 1.00 0.00 C ATOM 636 CD GLU A 91 -1.844 -14.399 3.325 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.880 -13.765 3.444 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.798 -15.609 3.175 1.00 0.00 O ATOM 0 H GLU A 91 1.423 -14.268 5.643 1.00 0.00 H new ATOM 0 HA GLU A 91 1.411 -12.074 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.651 -13.566 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.122 -12.071 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.484 -12.921 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.310 -14.317 3.240 1.00 0.00 H new ATOM 645 N THR A 92 1.281 -9.976 5.197 1.00 0.00 N ATOM 646 CA THR A 92 1.285 -8.732 5.962 1.00 0.00 C ATOM 647 C THR A 92 0.164 -7.815 5.484 1.00 0.00 C ATOM 648 O THR A 92 0.163 -7.353 4.343 1.00 0.00 O ATOM 649 CB THR A 92 2.624 -8.008 5.800 1.00 0.00 C ATOM 650 OG1 THR A 92 3.685 -8.944 5.936 1.00 0.00 O ATOM 651 CG2 THR A 92 2.755 -6.927 6.875 1.00 0.00 C ATOM 0 H THR A 92 1.517 -9.870 4.210 1.00 0.00 H new ATOM 0 HA THR A 92 1.132 -8.980 7.012 1.00 0.00 H new ATOM 0 HB THR A 92 2.670 -7.545 4.814 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.543 -8.483 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.709 -6.412 6.759 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.941 -6.210 6.771 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.709 -7.388 7.862 1.00 0.00 H new ATOM 659 N GLU A 93 -0.793 -7.561 6.371 1.00 0.00 N ATOM 660 CA GLU A 93 -1.924 -6.700 6.032 1.00 0.00 C ATOM 661 C GLU A 93 -1.534 -5.231 6.157 1.00 0.00 C ATOM 662 O GLU A 93 -1.009 -4.797 7.182 1.00 0.00 O ATOM 663 CB GLU A 93 -3.108 -6.980 6.959 1.00 0.00 C ATOM 664 CG GLU A 93 -3.792 -8.281 6.536 1.00 0.00 C ATOM 665 CD GLU A 93 -4.608 -8.829 7.702 1.00 0.00 C ATOM 666 OE1 GLU A 93 -4.058 -8.939 8.784 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.773 -9.131 7.494 1.00 0.00 O ATOM 0 H GLU A 93 -0.810 -7.934 7.320 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.210 -6.914 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.765 -7.056 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.818 -6.154 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.439 -8.102 5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.046 -9.012 6.225 1.00 0.00 H new ATOM 674 N ILE A 94 -1.805 -4.470 5.101 1.00 0.00 N ATOM 675 CA ILE A 94 -1.486 -3.044 5.098 1.00 0.00 C ATOM 676 C ILE A 94 -2.745 -2.226 5.362 1.00 0.00 C ATOM 677 O ILE A 94 -3.838 -2.585 4.923 1.00 0.00 O ATOM 678 CB ILE A 94 -0.893 -2.624 3.749 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.259 -3.569 3.367 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.373 -1.187 3.842 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.369 -3.520 4.426 1.00 0.00 C ATOM 0 H ILE A 94 -2.240 -4.811 4.244 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.754 -2.860 5.884 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.668 -2.679 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.116 -4.588 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.663 -3.285 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.048 -0.890 2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.195 -0.519 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.398 -1.128 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.176 -4.195 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.756 -2.504 4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.965 -3.827 5.391 1.00 0.00 H new ATOM 693 N ASN A 95 -2.582 -1.124 6.089 1.00 0.00 N ATOM 694 CA ASN A 95 -3.720 -0.267 6.410 1.00 0.00 C ATOM 695 C ASN A 95 -3.344 1.204 6.271 1.00 0.00 C ATOM 696 O ASN A 95 -2.289 1.638 6.732 1.00 0.00 O ATOM 697 CB ASN A 95 -4.196 -0.523 7.840 1.00 0.00 C ATOM 698 CG ASN A 95 -3.022 -0.376 8.803 1.00 0.00 C ATOM 699 OD1 ASN A 95 -2.258 -1.318 9.009 1.00 0.00 O ATOM 700 ND2 ASN A 95 -2.831 0.763 9.410 1.00 0.00 N ATOM 0 H ASN A 95 -1.687 -0.806 6.462 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.521 -0.503 5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.986 0.181 8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.621 -1.523 7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.048 0.872 10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.464 1.544 9.239 1.00 0.00 H new ATOM 707 N ALA A 96 -4.226 1.967 5.631 1.00 0.00 N ATOM 708 CA ALA A 96 -3.992 3.395 5.436 1.00 0.00 C ATOM 709 C ALA A 96 -3.900 4.107 6.791 1.00 0.00 C ATOM 710 O ALA A 96 -4.904 4.245 7.489 1.00 0.00 O ATOM 711 CB ALA A 96 -5.136 4.013 4.632 1.00 0.00 C ATOM 0 H ALA A 96 -5.104 1.624 5.241 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.054 3.516 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.950 5.078 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.201 3.526 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.074 3.876 5.170 1.00 0.00 H new ATOM 717 N PRO A 97 -2.704 4.569 7.184 1.00 0.00 N ATOM 718 CA PRO A 97 -2.513 5.268 8.469 1.00 0.00 C ATOM 719 C PRO A 97 -3.258 6.605 8.544 1.00 0.00 C ATOM 720 O PRO A 97 -3.387 7.193 9.618 1.00 0.00 O ATOM 721 CB PRO A 97 -1.002 5.491 8.543 1.00 0.00 C ATOM 722 CG PRO A 97 -0.551 5.468 7.125 1.00 0.00 C ATOM 723 CD PRO A 97 -1.432 4.466 6.442 1.00 0.00 C ATOM 0 HA PRO A 97 -2.912 4.684 9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.764 6.442 9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.514 4.711 9.127 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.647 6.452 6.666 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.498 5.183 7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.563 4.700 5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.015 3.460 6.497 1.00 0.00 H new ATOM 731 N THR A 98 -3.748 7.082 7.400 1.00 0.00 N ATOM 732 CA THR A 98 -4.474 8.349 7.368 1.00 0.00 C ATOM 733 C THR A 98 -5.727 8.226 6.508 1.00 0.00 C ATOM 734 O THR A 98 -5.690 7.673 5.408 1.00 0.00 O ATOM 735 CB THR A 98 -3.587 9.460 6.804 1.00 0.00 C ATOM 736 OG1 THR A 98 -2.719 8.915 5.819 1.00 0.00 O ATOM 737 CG2 THR A 98 -2.759 10.077 7.933 1.00 0.00 C ATOM 0 H THR A 98 -3.657 6.618 6.496 1.00 0.00 H new ATOM 0 HA THR A 98 -4.760 8.598 8.390 1.00 0.00 H new ATOM 0 HB THR A 98 -4.211 10.231 6.352 1.00 0.00 H new ATOM 0 HG1 THR A 98 -2.151 9.625 5.455 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.127 10.869 7.530 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.426 10.494 8.688 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.133 9.309 8.387 1.00 0.00 H new ATOM 745 N ASP A 99 -6.837 8.748 7.021 1.00 0.00 N ATOM 746 CA ASP A 99 -8.102 8.691 6.293 1.00 0.00 C ATOM 747 C ASP A 99 -7.998 9.463 4.983 1.00 0.00 C ATOM 748 O ASP A 99 -7.134 10.325 4.819 1.00 0.00 O ATOM 749 CB ASP A 99 -9.233 9.289 7.134 1.00 0.00 C ATOM 750 CG ASP A 99 -8.847 10.695 7.581 1.00 0.00 C ATOM 751 OD1 ASP A 99 -7.890 10.816 8.326 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.516 11.629 7.172 1.00 0.00 O ATOM 0 H ASP A 99 -6.888 9.211 7.928 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.321 7.644 6.083 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.155 9.321 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.426 8.660 8.003 1.00 0.00 H new ATOM 757 N GLY A 100 -8.891 9.144 4.051 1.00 0.00 N ATOM 758 CA GLY A 100 -8.895 9.814 2.753 1.00 0.00 C ATOM 759 C GLY A 100 -9.514 8.922 1.684 1.00 0.00 C ATOM 760 O GLY A 100 -10.304 8.025 1.983 1.00 0.00 O ATOM 0 H GLY A 100 -9.614 8.434 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.454 10.747 2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.875 10.074 2.470 1.00 0.00 H new ATOM 764 N LYS A 101 -9.147 9.180 0.432 1.00 0.00 N ATOM 765 CA LYS A 101 -9.672 8.397 -0.684 1.00 0.00 C ATOM 766 C LYS A 101 -8.541 7.979 -1.616 1.00 0.00 C ATOM 767 O LYS A 101 -7.561 8.703 -1.792 1.00 0.00 O ATOM 768 CB LYS A 101 -10.694 9.215 -1.476 1.00 0.00 C ATOM 769 CG LYS A 101 -11.511 8.282 -2.371 1.00 0.00 C ATOM 770 CD LYS A 101 -12.886 8.901 -2.632 1.00 0.00 C ATOM 771 CE LYS A 101 -12.780 9.917 -3.771 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.078 10.068 -4.488 1.00 0.00 N ATOM 0 H LYS A 101 -8.495 9.917 0.165 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.155 7.509 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.353 9.752 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.185 9.964 -2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.990 8.116 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.623 7.309 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.604 8.123 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.255 9.388 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.469 10.882 -3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.009 9.599 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.973 10.763 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.362 9.151 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.807 10.395 -3.822 1.00 0.00 H new ATOM 786 N VAL A 102 -8.687 6.798 -2.213 1.00 0.00 N ATOM 787 CA VAL A 102 -7.670 6.288 -3.128 1.00 0.00 C ATOM 788 C VAL A 102 -7.800 6.962 -4.491 1.00 0.00 C ATOM 789 O VAL A 102 -8.748 6.712 -5.235 1.00 0.00 O ATOM 790 CB VAL A 102 -7.815 4.773 -3.303 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.622 4.233 -4.097 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.862 4.096 -1.926 1.00 0.00 C ATOM 0 H VAL A 102 -9.490 6.183 -2.082 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.691 6.509 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.738 4.559 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.726 3.155 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.591 4.710 -5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.699 4.449 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.965 3.018 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.941 4.311 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.713 4.478 -1.362 1.00 0.00 H new ATOM 802 N GLU A 103 -6.835 7.821 -4.808 1.00 0.00 N ATOM 803 CA GLU A 103 -6.850 8.529 -6.084 1.00 0.00 C ATOM 804 C GLU A 103 -6.011 7.785 -7.121 1.00 0.00 C ATOM 805 O GLU A 103 -6.294 7.835 -8.318 1.00 0.00 O ATOM 806 CB GLU A 103 -6.304 9.952 -5.921 1.00 0.00 C ATOM 807 CG GLU A 103 -4.895 9.902 -5.322 1.00 0.00 C ATOM 808 CD GLU A 103 -4.257 11.284 -5.409 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.866 11.668 -6.499 1.00 0.00 O ATOM 810 OE2 GLU A 103 -4.166 11.939 -4.384 1.00 0.00 O ATOM 0 H GLU A 103 -6.041 8.042 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.884 8.579 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.280 10.455 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.963 10.532 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.941 9.576 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.286 9.174 -5.858 1.00 0.00 H new ATOM 817 N LYS A 104 -4.977 7.095 -6.649 1.00 0.00 N ATOM 818 CA LYS A 104 -4.103 6.343 -7.546 1.00 0.00 C ATOM 819 C LYS A 104 -3.388 5.231 -6.785 1.00 0.00 C ATOM 820 O LYS A 104 -2.813 5.458 -5.721 1.00 0.00 O ATOM 821 CB LYS A 104 -3.060 7.268 -8.177 1.00 0.00 C ATOM 822 CG LYS A 104 -2.760 6.805 -9.605 1.00 0.00 C ATOM 823 CD LYS A 104 -1.616 5.789 -9.583 1.00 0.00 C ATOM 824 CE LYS A 104 -1.627 4.979 -10.881 1.00 0.00 C ATOM 825 NZ LYS A 104 -1.697 5.867 -12.076 1.00 0.00 N ATOM 0 H LYS A 104 -4.725 7.040 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.721 5.906 -8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.427 8.294 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.146 7.262 -7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.650 6.357 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.490 7.659 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.661 6.303 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.723 5.124 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.729 4.364 -10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.479 4.300 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.450 5.323 -12.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.662 6.243 -12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.028 6.655 -11.962 1.00 0.00 H new ATOM 839 N VAL A 105 -3.433 4.025 -7.344 1.00 0.00 N ATOM 840 CA VAL A 105 -2.786 2.877 -6.711 1.00 0.00 C ATOM 841 C VAL A 105 -1.417 2.630 -7.338 1.00 0.00 C ATOM 842 O VAL A 105 -1.311 2.249 -8.503 1.00 0.00 O ATOM 843 CB VAL A 105 -3.643 1.617 -6.869 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.054 0.482 -6.023 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.074 1.911 -6.406 1.00 0.00 C ATOM 0 H VAL A 105 -3.905 3.817 -8.224 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.669 3.100 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.654 1.317 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.666 -0.413 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.037 0.271 -6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.039 0.780 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.684 1.015 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.063 2.213 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.494 2.714 -7.011 1.00 0.00 H new ATOM 855 N LEU A 106 -0.366 2.850 -6.547 1.00 0.00 N ATOM 856 CA LEU A 106 1.002 2.650 -7.027 1.00 0.00 C ATOM 857 C LEU A 106 1.489 1.218 -6.774 1.00 0.00 C ATOM 858 O LEU A 106 2.686 0.985 -6.611 1.00 0.00 O ATOM 859 CB LEU A 106 1.954 3.623 -6.331 1.00 0.00 C ATOM 860 CG LEU A 106 1.493 5.082 -6.294 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.105 5.782 -5.080 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.947 5.791 -7.573 1.00 0.00 C ATOM 0 H LEU A 106 -0.434 3.164 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 106 0.996 2.832 -8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.109 3.283 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.921 3.578 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 106 0.406 5.117 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.776 6.821 -5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.784 5.277 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.192 5.747 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.620 6.830 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.034 5.755 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.511 5.293 -8.439 1.00 0.00 H new ATOM 874 N VAL A 107 0.562 0.263 -6.743 1.00 0.00 N ATOM 875 CA VAL A 107 0.930 -1.132 -6.507 1.00 0.00 C ATOM 876 C VAL A 107 -0.122 -2.065 -7.098 1.00 0.00 C ATOM 877 O VAL A 107 -1.324 -1.831 -6.970 1.00 0.00 O ATOM 878 CB VAL A 107 1.053 -1.409 -5.008 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.241 -0.630 -4.439 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.230 -0.967 -4.300 1.00 0.00 C ATOM 0 H VAL A 107 -0.436 0.425 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 107 1.891 -1.312 -6.988 1.00 0.00 H new ATOM 0 HB VAL A 107 1.208 -2.476 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.328 -0.828 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.156 -0.943 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.087 0.437 -4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.142 -1.164 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.385 0.100 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.078 -1.521 -4.703 1.00 0.00 H new ATOM 890 N LYS A 108 0.345 -3.127 -7.747 1.00 0.00 N ATOM 891 CA LYS A 108 -0.563 -4.096 -8.357 1.00 0.00 C ATOM 892 C LYS A 108 -0.223 -5.509 -7.890 1.00 0.00 C ATOM 893 O LYS A 108 0.832 -5.747 -7.304 1.00 0.00 O ATOM 894 CB LYS A 108 -0.465 -4.038 -9.882 1.00 0.00 C ATOM 895 CG LYS A 108 0.996 -4.196 -10.307 1.00 0.00 C ATOM 896 CD LYS A 108 1.117 -3.977 -11.816 1.00 0.00 C ATOM 897 CE LYS A 108 2.293 -4.790 -12.358 1.00 0.00 C ATOM 898 NZ LYS A 108 3.583 -4.061 -12.190 1.00 0.00 N ATOM 0 H LYS A 108 1.336 -3.339 -7.864 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.578 -3.845 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -1.071 -4.828 -10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.860 -3.090 -10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.620 -3.479 -9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.357 -5.190 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.194 -4.277 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.264 -2.918 -12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.345 -5.748 -11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.131 -5.007 -13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.212 -4.280 -12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.402 -3.037 -12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.036 -4.357 -11.302 1.00 0.00 H new ATOM 912 N GLU A 109 -1.133 -6.443 -8.157 1.00 0.00 N ATOM 913 CA GLU A 109 -0.924 -7.835 -7.761 1.00 0.00 C ATOM 914 C GLU A 109 0.332 -8.401 -8.416 1.00 0.00 C ATOM 915 O GLU A 109 0.672 -8.052 -9.547 1.00 0.00 O ATOM 916 CB GLU A 109 -2.125 -8.692 -8.166 1.00 0.00 C ATOM 917 CG GLU A 109 -3.336 -8.312 -7.311 1.00 0.00 C ATOM 918 CD GLU A 109 -4.300 -9.491 -7.244 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.070 -9.655 -8.176 1.00 0.00 O ATOM 920 OE2 GLU A 109 -4.256 -10.211 -6.260 1.00 0.00 O ATOM 0 H GLU A 109 -2.013 -6.265 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.807 -7.858 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.351 -8.544 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.892 -9.749 -8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.014 -8.035 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.837 -7.443 -7.737 1.00 0.00 H new ATOM 927 N ARG A 110 1.017 -9.280 -7.688 1.00 0.00 N ATOM 928 CA ARG A 110 2.240 -9.898 -8.200 1.00 0.00 C ATOM 929 C ARG A 110 3.296 -8.830 -8.486 1.00 0.00 C ATOM 930 O ARG A 110 4.047 -8.923 -9.457 1.00 0.00 O ATOM 931 CB ARG A 110 1.946 -10.687 -9.486 1.00 0.00 C ATOM 932 CG ARG A 110 2.552 -12.091 -9.383 1.00 0.00 C ATOM 933 CD ARG A 110 3.960 -12.092 -9.985 1.00 0.00 C ATOM 934 NE ARG A 110 4.850 -12.948 -9.205 1.00 0.00 N ATOM 935 CZ ARG A 110 5.505 -13.956 -9.774 1.00 0.00 C ATOM 936 NH1 ARG A 110 4.845 -14.890 -10.402 1.00 0.00 N ATOM 937 NH2 ARG A 110 6.807 -14.012 -9.704 1.00 0.00 N ATOM 0 H ARG A 110 0.750 -9.579 -6.750 1.00 0.00 H new ATOM 0 HA ARG A 110 2.619 -10.583 -7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.870 -10.756 -9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.361 -10.164 -10.348 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.592 -12.404 -8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.921 -12.809 -9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.921 -12.443 -11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.352 -11.075 -10.009 1.00 0.00 H new ATOM 0 HE ARG A 110 4.971 -12.770 -8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.827 -14.847 -10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.347 -15.663 -10.839 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.323 -13.282 -9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.308 -14.785 -10.141 1.00 0.00 H new ATOM 951 N ASP A 111 3.341 -7.818 -7.625 1.00 0.00 N ATOM 952 CA ASP A 111 4.306 -6.735 -7.789 1.00 0.00 C ATOM 953 C ASP A 111 5.166 -6.593 -6.536 1.00 0.00 C ATOM 954 O ASP A 111 4.670 -6.684 -5.413 1.00 0.00 O ATOM 955 CB ASP A 111 3.587 -5.410 -8.051 1.00 0.00 C ATOM 956 CG ASP A 111 4.515 -4.469 -8.812 1.00 0.00 C ATOM 957 OD1 ASP A 111 4.934 -4.832 -9.899 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.792 -3.398 -8.297 1.00 0.00 O ATOM 0 H ASP A 111 2.728 -7.725 -6.815 1.00 0.00 H new ATOM 0 HA ASP A 111 4.941 -6.978 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.678 -5.585 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.285 -4.955 -7.108 1.00 0.00 H new ATOM 963 N ALA A 112 6.460 -6.371 -6.743 1.00 0.00 N ATOM 964 CA ALA A 112 7.386 -6.218 -5.623 1.00 0.00 C ATOM 965 C ALA A 112 7.509 -4.751 -5.229 1.00 0.00 C ATOM 966 O ALA A 112 7.710 -3.879 -6.075 1.00 0.00 O ATOM 967 CB ALA A 112 8.770 -6.752 -5.996 1.00 0.00 C ATOM 0 H ALA A 112 6.889 -6.293 -7.665 1.00 0.00 H new ATOM 0 HA ALA A 112 6.992 -6.788 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.447 -6.630 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.695 -7.809 -6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.155 -6.198 -6.852 1.00 0.00 H new ATOM 973 N VAL A 113 7.385 -4.488 -3.931 1.00 0.00 N ATOM 974 CA VAL A 113 7.484 -3.121 -3.427 1.00 0.00 C ATOM 975 C VAL A 113 8.619 -3.008 -2.415 1.00 0.00 C ATOM 976 O VAL A 113 8.996 -3.989 -1.772 1.00 0.00 O ATOM 977 CB VAL A 113 6.175 -2.701 -2.756 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.062 -2.636 -3.803 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.802 -3.726 -1.683 1.00 0.00 C ATOM 0 H VAL A 113 7.217 -5.195 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 113 7.684 -2.464 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 113 6.301 -1.720 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.129 -2.337 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.326 -1.908 -4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.936 -3.617 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.869 -3.428 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.676 -4.706 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.594 -3.775 -0.936 1.00 0.00 H new ATOM 989 N GLN A 114 9.158 -1.800 -2.277 1.00 0.00 N ATOM 990 CA GLN A 114 10.251 -1.569 -1.336 1.00 0.00 C ATOM 991 C GLN A 114 9.710 -1.022 -0.020 1.00 0.00 C ATOM 992 O GLN A 114 8.777 -0.219 -0.001 1.00 0.00 O ATOM 993 CB GLN A 114 11.257 -0.573 -1.916 1.00 0.00 C ATOM 994 CG GLN A 114 11.950 -1.195 -3.130 1.00 0.00 C ATOM 995 CD GLN A 114 11.139 -0.898 -4.387 1.00 0.00 C ATOM 996 OE1 GLN A 114 10.432 0.107 -4.453 1.00 0.00 O ATOM 997 NE2 GLN A 114 11.200 -1.721 -5.398 1.00 0.00 N ATOM 0 H GLN A 114 8.861 -0.975 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 114 10.749 -2.522 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.748 0.346 -2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.995 -0.304 -1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.958 -0.793 -3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.048 -2.272 -2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.786 -2.554 -5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.662 -1.531 -6.243 1.00 0.00 H new ATOM 1006 N GLY A 115 10.306 -1.469 1.082 1.00 0.00 N ATOM 1007 CA GLY A 115 9.875 -1.021 2.403 1.00 0.00 C ATOM 1008 C GLY A 115 10.061 0.486 2.552 1.00 0.00 C ATOM 1009 O GLY A 115 11.114 0.957 2.978 1.00 0.00 O ATOM 0 H GLY A 115 11.080 -2.133 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.827 -1.279 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.447 -1.540 3.172 1.00 0.00 H new ATOM 1013 N GLY A 116 9.021 1.235 2.194 1.00 0.00 N ATOM 1014 CA GLY A 116 9.077 2.690 2.292 1.00 0.00 C ATOM 1015 C GLY A 116 8.510 3.344 1.036 1.00 0.00 C ATOM 1016 O GLY A 116 7.957 4.443 1.089 1.00 0.00 O ATOM 0 H GLY A 116 8.140 0.864 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.514 3.021 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.109 3.009 2.438 1.00 0.00 H new ATOM 1020 N GLN A 117 8.653 2.658 -0.097 1.00 0.00 N ATOM 1021 CA GLN A 117 8.150 3.182 -1.368 1.00 0.00 C ATOM 1022 C GLN A 117 6.646 3.434 -1.290 1.00 0.00 C ATOM 1023 O GLN A 117 5.937 2.814 -0.496 1.00 0.00 O ATOM 1024 CB GLN A 117 8.433 2.194 -2.502 1.00 0.00 C ATOM 1025 CG GLN A 117 8.254 2.892 -3.856 1.00 0.00 C ATOM 1026 CD GLN A 117 6.902 2.518 -4.457 1.00 0.00 C ATOM 1027 OE1 GLN A 117 6.149 3.386 -4.894 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.549 1.262 -4.507 1.00 0.00 N ATOM 0 H GLN A 117 9.108 1.747 -0.162 1.00 0.00 H new ATOM 0 HA GLN A 117 8.662 4.123 -1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.448 1.806 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.758 1.341 -2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.319 3.973 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.056 2.601 -4.534 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.174 0.542 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.648 1.001 -4.909 1.00 0.00 H new ATOM 1037 N GLY A 118 6.169 4.355 -2.122 1.00 0.00 N ATOM 1038 CA GLY A 118 4.748 4.693 -2.140 1.00 0.00 C ATOM 1039 C GLY A 118 3.901 3.483 -2.522 1.00 0.00 C ATOM 1040 O GLY A 118 4.118 2.857 -3.560 1.00 0.00 O ATOM 0 H GLY A 118 6.739 4.877 -2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.445 5.058 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.572 5.502 -2.849 1.00 0.00 H new ATOM 1044 N LEU A 119 2.930 3.165 -1.672 1.00 0.00 N ATOM 1045 CA LEU A 119 2.047 2.031 -1.928 1.00 0.00 C ATOM 1046 C LEU A 119 0.773 2.501 -2.623 1.00 0.00 C ATOM 1047 O LEU A 119 0.455 2.068 -3.731 1.00 0.00 O ATOM 1048 CB LEU A 119 1.675 1.334 -0.619 1.00 0.00 C ATOM 1049 CG LEU A 119 2.806 0.551 0.053 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.286 -0.098 1.336 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.308 -0.535 -0.900 1.00 0.00 C ATOM 0 H LEU A 119 2.735 3.670 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 119 2.576 1.328 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.310 2.085 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.848 0.651 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 119 3.624 1.230 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.092 -0.655 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.927 0.675 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.468 -0.777 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.113 -1.094 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.490 -1.213 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.679 -0.073 -1.815 1.00 0.00 H new ATOM 1063 N ILE A 120 0.048 3.395 -1.956 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.193 3.927 -2.513 1.00 0.00 C ATOM 1065 C ILE A 120 -1.320 5.413 -2.191 1.00 0.00 C ATOM 1066 O ILE A 120 -0.958 5.860 -1.102 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.403 3.183 -1.939 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.212 1.676 -2.132 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.673 3.631 -2.665 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.341 0.923 -1.424 1.00 0.00 C ATOM 0 H ILE A 120 0.295 3.764 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.167 3.788 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.495 3.407 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.208 1.432 -3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.247 1.367 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.533 3.101 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.810 4.704 -2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.582 3.408 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.205 -0.150 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.323 1.158 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.300 1.224 -1.846 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.840 6.173 -3.150 1.00 0.00 N ATOM 1083 CA LYS A 121 -2.012 7.611 -2.958 1.00 0.00 C ATOM 1084 C LYS A 121 -3.367 7.905 -2.325 1.00 0.00 C ATOM 1085 O LYS A 121 -4.407 7.467 -2.815 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.916 8.347 -4.295 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.521 9.805 -4.046 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.662 10.308 -5.207 1.00 0.00 C ATOM 1089 CE LYS A 121 -0.768 11.831 -5.300 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.177 12.380 -6.312 1.00 0.00 N ATOM 0 H LYS A 121 -2.147 5.824 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.218 7.958 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.179 7.864 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.872 8.302 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -2.414 10.422 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.970 9.888 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.377 10.014 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.992 9.853 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.788 12.111 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -0.557 12.272 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 0.081 13.415 -6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.152 12.133 -6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.041 11.976 -7.245 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.343 8.654 -1.225 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.575 9.005 -0.526 1.00 0.00 C ATOM 1106 C ILE A 122 -4.917 10.473 -0.758 1.00 0.00 C ATOM 1107 O ILE A 122 -4.038 11.334 -0.786 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.429 8.755 0.980 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.912 7.328 1.224 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.784 8.944 1.677 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.887 6.297 0.639 1.00 0.00 C ATOM 0 H ILE A 122 -2.493 9.026 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.376 8.379 -0.919 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.716 9.469 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.929 7.208 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.790 7.157 2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.671 8.765 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.137 9.962 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.506 8.239 1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.506 5.292 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.861 6.407 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.987 6.459 -0.434 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.207 10.745 -0.922 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.666 12.112 -1.151 1.00 0.00 C ATOM 1125 C GLY A 123 -7.374 12.227 -2.496 1.00 0.00 C ATOM 1126 O GLY A 123 -6.900 12.980 -3.331 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.380 11.559 -2.674 1.00 0.00 O ATOM 0 H GLY A 123 -6.948 10.045 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.344 12.412 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.817 12.795 -1.122 1.00 0.00 H new TER 1131 GLY A 123