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 Set 1.1: A 81 THR OG1 : rot -22:sc= 0.818 USER MOD Set 1.2: A 95 ASN : amide:sc= -1.6 K(o=-0.78,f=-11!) 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 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) 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 -137:sc= -0.93 (180deg=-4.96!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= -0.0392 (180deg=-0.346) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 151:sc= -0.146 (180deg=-1.06) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 13.739 1.798 9.923 1.00 0.00 N ATOM 2 CA ALA A 47 12.798 2.942 9.764 1.00 0.00 C ATOM 3 C ALA A 47 13.384 3.937 8.771 1.00 0.00 C ATOM 4 O ALA A 47 14.235 4.756 9.118 1.00 0.00 O ATOM 5 CB ALA A 47 12.555 3.653 11.098 1.00 0.00 C ATOM 0 HA ALA A 47 11.846 2.554 9.402 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.864 4.483 10.948 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.127 2.950 11.813 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.500 4.034 11.485 1.00 0.00 H new ATOM 13 N GLY A 48 12.919 3.858 7.527 1.00 0.00 N ATOM 14 CA GLY A 48 13.402 4.757 6.483 1.00 0.00 C ATOM 15 C GLY A 48 12.260 5.595 5.920 1.00 0.00 C ATOM 16 O GLY A 48 11.096 5.397 6.266 1.00 0.00 O ATOM 0 H GLY A 48 12.215 3.187 7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.174 5.411 6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.863 4.178 5.683 1.00 0.00 H new ATOM 20 N ALA A 49 12.608 6.537 5.047 1.00 0.00 N ATOM 21 CA ALA A 49 11.605 7.404 4.437 1.00 0.00 C ATOM 22 C ALA A 49 11.009 6.742 3.198 1.00 0.00 C ATOM 23 O ALA A 49 9.818 6.872 2.917 1.00 0.00 O ATOM 24 CB ALA A 49 12.226 8.743 4.035 1.00 0.00 C ATOM 0 H ALA A 49 13.566 6.718 4.749 1.00 0.00 H new ATOM 0 HA ALA A 49 10.819 7.575 5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.463 9.376 3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.630 9.237 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.028 8.571 3.317 1.00 0.00 H new ATOM 30 N GLY A 50 11.855 6.027 2.460 1.00 0.00 N ATOM 31 CA GLY A 50 11.406 5.346 1.249 1.00 0.00 C ATOM 32 C GLY A 50 11.052 6.353 0.161 1.00 0.00 C ATOM 33 O GLY A 50 11.791 7.305 -0.088 1.00 0.00 O ATOM 0 H GLY A 50 12.844 5.905 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.189 4.677 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.537 4.728 1.475 1.00 0.00 H new ATOM 37 N LYS A 51 9.912 6.131 -0.486 1.00 0.00 N ATOM 38 CA LYS A 51 9.464 7.026 -1.549 1.00 0.00 C ATOM 39 C LYS A 51 7.998 7.399 -1.350 1.00 0.00 C ATOM 40 O LYS A 51 7.218 7.462 -2.302 1.00 0.00 O ATOM 41 CB LYS A 51 9.637 6.362 -2.918 1.00 0.00 C ATOM 42 CG LYS A 51 11.075 6.557 -3.403 1.00 0.00 C ATOM 43 CD LYS A 51 11.236 5.931 -4.790 1.00 0.00 C ATOM 44 CE LYS A 51 12.717 5.663 -5.061 1.00 0.00 C ATOM 45 NZ LYS A 51 12.904 4.796 -6.257 1.00 0.00 N ATOM 0 H LYS A 51 9.287 5.348 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 51 10.073 7.929 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.406 5.299 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.939 6.795 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.316 7.619 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.772 6.098 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.671 5.001 -4.848 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.831 6.598 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.238 6.609 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.167 5.186 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.919 4.634 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.427 3.885 -6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.496 5.263 -7.092 1.00 0.00 H new ATOM 59 N ALA A 52 7.631 7.649 -0.097 1.00 0.00 N ATOM 60 CA ALA A 52 6.256 8.017 0.227 1.00 0.00 C ATOM 61 C ALA A 52 6.224 8.950 1.433 1.00 0.00 C ATOM 62 O ALA A 52 7.257 9.248 2.034 1.00 0.00 O ATOM 63 CB ALA A 52 5.424 6.770 0.535 1.00 0.00 C ATOM 0 H ALA A 52 8.260 7.604 0.705 1.00 0.00 H new ATOM 0 HA ALA A 52 5.832 8.528 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.402 7.064 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.418 6.113 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.858 6.244 1.385 1.00 0.00 H new ATOM 69 N GLY A 53 5.024 9.409 1.781 1.00 0.00 N ATOM 70 CA GLY A 53 4.865 10.309 2.919 1.00 0.00 C ATOM 71 C GLY A 53 4.137 11.583 2.505 1.00 0.00 C ATOM 72 O GLY A 53 3.348 12.142 3.268 1.00 0.00 O ATOM 0 H GLY A 53 4.157 9.176 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.308 9.807 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.843 10.561 3.329 1.00 0.00 H new ATOM 76 N GLU A 54 4.411 12.036 1.285 1.00 0.00 N ATOM 77 CA GLU A 54 3.778 13.248 0.772 1.00 0.00 C ATOM 78 C GLU A 54 2.502 12.900 0.004 1.00 0.00 C ATOM 79 O GLU A 54 2.307 13.316 -1.139 1.00 0.00 O ATOM 80 CB GLU A 54 4.740 14.001 -0.151 1.00 0.00 C ATOM 81 CG GLU A 54 6.038 14.304 0.600 1.00 0.00 C ATOM 82 CD GLU A 54 5.792 15.418 1.611 1.00 0.00 C ATOM 83 OE1 GLU A 54 5.957 16.570 1.245 1.00 0.00 O ATOM 84 OE2 GLU A 54 5.444 15.104 2.737 1.00 0.00 O ATOM 0 H GLU A 54 5.060 11.588 0.638 1.00 0.00 H new ATOM 0 HA GLU A 54 3.522 13.884 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.952 13.404 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.281 14.928 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.394 13.408 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.816 14.601 -0.103 1.00 0.00 H new ATOM 91 N GLY A 55 1.633 12.129 0.651 1.00 0.00 N ATOM 92 CA GLY A 55 0.375 11.726 0.026 1.00 0.00 C ATOM 93 C GLY A 55 0.339 10.219 -0.195 1.00 0.00 C ATOM 94 O GLY A 55 -0.692 9.573 -0.001 1.00 0.00 O ATOM 0 H GLY A 55 1.773 11.774 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.462 12.026 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.256 12.241 -0.927 1.00 0.00 H new ATOM 98 N GLU A 56 1.476 9.665 -0.606 1.00 0.00 N ATOM 99 CA GLU A 56 1.566 8.229 -0.854 1.00 0.00 C ATOM 100 C GLU A 56 1.875 7.484 0.440 1.00 0.00 C ATOM 101 O GLU A 56 2.723 7.904 1.229 1.00 0.00 O ATOM 102 CB GLU A 56 2.664 7.929 -1.876 1.00 0.00 C ATOM 103 CG GLU A 56 2.401 8.720 -3.159 1.00 0.00 C ATOM 104 CD GLU A 56 1.515 7.901 -4.089 1.00 0.00 C ATOM 105 OE1 GLU A 56 0.633 7.221 -3.590 1.00 0.00 O ATOM 106 OE2 GLU A 56 1.729 7.965 -5.288 1.00 0.00 O ATOM 0 H GLU A 56 2.339 10.182 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 56 0.605 7.895 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.639 8.195 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.690 6.861 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.919 9.668 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.344 8.957 -3.653 1.00 0.00 H new ATOM 113 N ILE A 57 1.179 6.371 0.649 1.00 0.00 N ATOM 114 CA ILE A 57 1.386 5.567 1.851 1.00 0.00 C ATOM 115 C ILE A 57 2.657 4.718 1.708 1.00 0.00 C ATOM 116 O ILE A 57 2.746 3.883 0.810 1.00 0.00 O ATOM 117 CB ILE A 57 0.191 4.638 2.085 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.103 5.456 2.074 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.340 3.943 3.439 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.303 4.512 1.977 1.00 0.00 C ATOM 0 H ILE A 57 0.473 6.007 0.009 1.00 0.00 H new ATOM 0 HA ILE A 57 1.490 6.244 2.699 1.00 0.00 H new ATOM 0 HB ILE A 57 0.156 3.889 1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.173 6.058 2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.102 6.147 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.511 3.282 3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.260 3.359 3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.377 4.692 4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.224 5.094 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.234 3.929 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.307 3.839 2.834 1.00 0.00 H new ATOM 132 N PRO A 58 3.655 4.915 2.584 1.00 0.00 N ATOM 133 CA PRO A 58 4.909 4.148 2.522 1.00 0.00 C ATOM 134 C PRO A 58 4.722 2.695 2.951 1.00 0.00 C ATOM 135 O PRO A 58 4.066 2.407 3.952 1.00 0.00 O ATOM 136 CB PRO A 58 5.836 4.876 3.492 1.00 0.00 C ATOM 137 CG PRO A 58 4.929 5.563 4.452 1.00 0.00 C ATOM 138 CD PRO A 58 3.668 5.880 3.701 1.00 0.00 C ATOM 0 HA PRO A 58 5.299 4.099 1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.497 4.178 4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.471 5.591 2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.719 4.925 5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.390 6.473 4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.789 5.766 4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.669 6.908 3.338 1.00 0.00 H new ATOM 146 N ALA A 59 5.309 1.783 2.180 1.00 0.00 N ATOM 147 CA ALA A 59 5.202 0.359 2.484 1.00 0.00 C ATOM 148 C ALA A 59 5.909 0.039 3.804 1.00 0.00 C ATOM 149 O ALA A 59 6.898 0.682 4.158 1.00 0.00 O ATOM 150 CB ALA A 59 5.832 -0.475 1.368 1.00 0.00 C ATOM 0 H ALA A 59 5.858 2.001 1.349 1.00 0.00 H new ATOM 0 HA ALA A 59 4.144 0.112 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.743 -1.534 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.317 -0.274 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.885 -0.213 1.268 1.00 0.00 H new ATOM 156 N PRO A 60 5.412 -0.959 4.547 1.00 0.00 N ATOM 157 CA PRO A 60 6.009 -1.354 5.833 1.00 0.00 C ATOM 158 C PRO A 60 7.335 -2.088 5.653 1.00 0.00 C ATOM 159 O PRO A 60 8.252 -1.955 6.464 1.00 0.00 O ATOM 160 CB PRO A 60 4.970 -2.285 6.451 1.00 0.00 C ATOM 161 CG PRO A 60 4.206 -2.834 5.296 1.00 0.00 C ATOM 162 CD PRO A 60 4.238 -1.789 4.219 1.00 0.00 C ATOM 0 HA PRO A 60 6.239 -0.486 6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.445 -3.081 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.316 -1.746 7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.652 -3.765 4.945 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.180 -3.061 5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.334 -2.240 3.231 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.323 -1.197 4.212 1.00 0.00 H new ATOM 170 N LEU A 61 7.422 -2.869 4.580 1.00 0.00 N ATOM 171 CA LEU A 61 8.638 -3.627 4.298 1.00 0.00 C ATOM 172 C LEU A 61 8.654 -4.085 2.843 1.00 0.00 C ATOM 173 O LEU A 61 7.613 -4.161 2.190 1.00 0.00 O ATOM 174 CB LEU A 61 8.724 -4.854 5.206 1.00 0.00 C ATOM 175 CG LEU A 61 7.503 -5.779 5.179 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.711 -6.872 4.129 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.319 -6.426 6.555 1.00 0.00 C ATOM 0 H LEU A 61 6.674 -2.993 3.898 1.00 0.00 H new ATOM 0 HA LEU A 61 9.492 -2.976 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.603 -5.433 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.880 -4.516 6.231 1.00 0.00 H new ATOM 0 HG LEU A 61 6.616 -5.197 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.842 -7.529 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.840 -6.414 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.599 -7.452 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.450 -7.084 6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.207 -7.006 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.169 -5.649 7.305 1.00 0.00 H new ATOM 189 N ALA A 62 9.848 -4.392 2.344 1.00 0.00 N ATOM 190 CA ALA A 62 9.991 -4.844 0.964 1.00 0.00 C ATOM 191 C ALA A 62 9.350 -6.218 0.788 1.00 0.00 C ATOM 192 O ALA A 62 10.027 -7.245 0.815 1.00 0.00 O ATOM 193 CB ALA A 62 11.470 -4.928 0.578 1.00 0.00 C ATOM 0 H ALA A 62 10.721 -4.337 2.868 1.00 0.00 H new ATOM 0 HA ALA A 62 9.490 -4.123 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.558 -5.267 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.928 -3.944 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.978 -5.633 1.236 1.00 0.00 H new ATOM 199 N GLY A 63 8.032 -6.222 0.608 1.00 0.00 N ATOM 200 CA GLY A 63 7.302 -7.473 0.428 1.00 0.00 C ATOM 201 C GLY A 63 6.690 -7.548 -0.965 1.00 0.00 C ATOM 202 O GLY A 63 6.943 -6.696 -1.817 1.00 0.00 O ATOM 0 H GLY A 63 7.453 -5.383 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.975 -8.317 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.517 -7.552 1.180 1.00 0.00 H new ATOM 206 N THR A 64 5.878 -8.577 -1.189 1.00 0.00 N ATOM 207 CA THR A 64 5.232 -8.757 -2.484 1.00 0.00 C ATOM 208 C THR A 64 3.734 -8.492 -2.372 1.00 0.00 C ATOM 209 O THR A 64 3.080 -8.931 -1.425 1.00 0.00 O ATOM 210 CB THR A 64 5.448 -10.183 -2.998 1.00 0.00 C ATOM 211 OG1 THR A 64 6.832 -10.501 -2.934 1.00 0.00 O ATOM 212 CG2 THR A 64 4.967 -10.284 -4.447 1.00 0.00 C ATOM 0 H THR A 64 5.653 -9.292 -0.498 1.00 0.00 H new ATOM 0 HA THR A 64 5.677 -8.049 -3.183 1.00 0.00 H new ATOM 0 HB THR A 64 4.883 -10.882 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.973 -11.414 -3.261 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.121 -11.300 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.906 -10.038 -4.496 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.530 -9.586 -5.067 1.00 0.00 H new ATOM 220 N VAL A 65 3.198 -7.770 -3.352 1.00 0.00 N ATOM 221 CA VAL A 65 1.772 -7.451 -3.356 1.00 0.00 C ATOM 222 C VAL A 65 0.956 -8.701 -3.673 1.00 0.00 C ATOM 223 O VAL A 65 1.071 -9.277 -4.755 1.00 0.00 O ATOM 224 CB VAL A 65 1.465 -6.371 -4.398 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.005 -5.930 -4.265 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.378 -5.164 -4.167 1.00 0.00 C ATOM 0 H VAL A 65 3.721 -7.398 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 65 1.503 -7.080 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 65 1.636 -6.775 -5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.212 -5.162 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.650 -6.786 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.164 -5.528 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.160 -4.395 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.206 -4.764 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.419 -5.472 -4.260 1.00 0.00 H new ATOM 236 N SER A 66 0.134 -9.115 -2.715 1.00 0.00 N ATOM 237 CA SER A 66 -0.696 -10.301 -2.897 1.00 0.00 C ATOM 238 C SER A 66 -2.070 -9.919 -3.439 1.00 0.00 C ATOM 239 O SER A 66 -2.548 -10.494 -4.417 1.00 0.00 O ATOM 240 CB SER A 66 -0.874 -11.039 -1.570 1.00 0.00 C ATOM 241 OG SER A 66 -1.741 -12.149 -1.762 1.00 0.00 O ATOM 0 H SER A 66 0.025 -8.652 -1.813 1.00 0.00 H new ATOM 0 HA SER A 66 -0.193 -10.952 -3.612 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.092 -11.378 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.287 -10.366 -0.819 1.00 0.00 H new ATOM 0 HG SER A 66 -1.856 -12.625 -0.913 1.00 0.00 H new ATOM 247 N LYS A 67 -2.702 -8.945 -2.791 1.00 0.00 N ATOM 248 CA LYS A 67 -4.025 -8.498 -3.217 1.00 0.00 C ATOM 249 C LYS A 67 -4.276 -7.062 -2.770 1.00 0.00 C ATOM 250 O LYS A 67 -3.789 -6.623 -1.727 1.00 0.00 O ATOM 251 CB LYS A 67 -5.107 -9.404 -2.622 1.00 0.00 C ATOM 252 CG LYS A 67 -6.473 -9.026 -3.200 1.00 0.00 C ATOM 253 CD LYS A 67 -7.374 -10.263 -3.239 1.00 0.00 C ATOM 254 CE LYS A 67 -7.008 -11.123 -4.449 1.00 0.00 C ATOM 255 NZ LYS A 67 -7.943 -12.273 -4.601 1.00 0.00 N ATOM 0 H LYS A 67 -2.326 -8.455 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.064 -8.547 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.884 -10.447 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.121 -9.305 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.934 -8.247 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.354 -8.618 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.258 -10.840 -2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.420 -9.962 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.030 -10.512 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.989 -11.493 -4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.668 -12.837 -5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.903 -12.868 -3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.912 -11.918 -4.730 1.00 0.00 H new ATOM 269 N ILE A 68 -5.051 -6.336 -3.572 1.00 0.00 N ATOM 270 CA ILE A 68 -5.375 -4.948 -3.256 1.00 0.00 C ATOM 271 C ILE A 68 -6.798 -4.856 -2.715 1.00 0.00 C ATOM 272 O ILE A 68 -7.737 -5.389 -3.306 1.00 0.00 O ATOM 273 CB ILE A 68 -5.255 -4.068 -4.504 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.887 -4.287 -5.155 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.397 -2.599 -4.108 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.864 -3.619 -6.532 1.00 0.00 C ATOM 0 H ILE A 68 -5.463 -6.682 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.670 -4.596 -2.503 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.042 -4.333 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.101 -3.871 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.686 -5.354 -5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.312 -1.973 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.370 -2.440 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.610 -2.335 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.890 -3.775 -6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.640 -4.056 -7.161 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.046 -2.550 -6.421 1.00 0.00 H new ATOM 288 N LEU A 69 -6.947 -4.178 -1.581 1.00 0.00 N ATOM 289 CA LEU A 69 -8.261 -4.030 -0.963 1.00 0.00 C ATOM 290 C LEU A 69 -8.921 -2.724 -1.396 1.00 0.00 C ATOM 291 O LEU A 69 -10.146 -2.633 -1.481 1.00 0.00 O ATOM 292 CB LEU A 69 -8.139 -4.046 0.562 1.00 0.00 C ATOM 293 CG LEU A 69 -7.939 -5.428 1.188 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.449 -5.773 1.196 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.468 -5.420 2.623 1.00 0.00 C ATOM 0 H LEU A 69 -6.184 -3.727 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.877 -4.868 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.301 -3.410 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.038 -3.600 0.987 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.482 -6.172 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.306 -6.757 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.072 -5.779 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.906 -5.028 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.326 -6.404 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.926 -4.676 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.530 -5.174 2.618 1.00 0.00 H new ATOM 307 N VAL A 70 -8.100 -1.713 -1.664 1.00 0.00 N ATOM 308 CA VAL A 70 -8.624 -0.415 -2.086 1.00 0.00 C ATOM 309 C VAL A 70 -8.200 -0.101 -3.518 1.00 0.00 C ATOM 310 O VAL A 70 -7.106 -0.460 -3.950 1.00 0.00 O ATOM 311 CB VAL A 70 -8.129 0.695 -1.151 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.585 0.396 0.277 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.597 0.767 -1.187 1.00 0.00 C ATOM 0 H VAL A 70 -7.083 -1.763 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.712 -0.462 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.542 1.649 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.234 1.184 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.674 0.351 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.173 -0.561 0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.254 1.558 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.180 -0.187 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.267 0.981 -2.203 1.00 0.00 H new ATOM 323 N LYS A 71 -9.079 0.580 -4.245 1.00 0.00 N ATOM 324 CA LYS A 71 -8.788 0.945 -5.627 1.00 0.00 C ATOM 325 C LYS A 71 -9.260 2.367 -5.910 1.00 0.00 C ATOM 326 O LYS A 71 -10.005 2.957 -5.128 1.00 0.00 O ATOM 327 CB LYS A 71 -9.481 -0.015 -6.598 1.00 0.00 C ATOM 328 CG LYS A 71 -10.967 -0.119 -6.249 1.00 0.00 C ATOM 329 CD LYS A 71 -11.574 -1.336 -6.952 1.00 0.00 C ATOM 330 CE LYS A 71 -12.629 -1.979 -6.048 1.00 0.00 C ATOM 331 NZ LYS A 71 -12.675 -3.457 -6.234 1.00 0.00 N ATOM 0 H LYS A 71 -9.990 0.888 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.709 0.883 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.362 0.340 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.016 -0.999 -6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.092 -0.209 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.488 0.788 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.026 -1.035 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.793 -2.059 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.407 -1.748 -5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.608 -1.552 -6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.399 -3.863 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.910 -3.675 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.747 -3.865 -6.001 1.00 0.00 H new ATOM 345 N GLU A 72 -8.814 2.911 -7.040 1.00 0.00 N ATOM 346 CA GLU A 72 -9.191 4.271 -7.429 1.00 0.00 C ATOM 347 C GLU A 72 -10.710 4.412 -7.509 1.00 0.00 C ATOM 348 O GLU A 72 -11.343 3.935 -8.451 1.00 0.00 O ATOM 349 CB GLU A 72 -8.589 4.623 -8.791 1.00 0.00 C ATOM 350 CG GLU A 72 -7.173 5.168 -8.598 1.00 0.00 C ATOM 351 CD GLU A 72 -6.728 5.885 -9.869 1.00 0.00 C ATOM 352 OE1 GLU A 72 -7.418 6.804 -10.279 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.705 5.504 -10.413 1.00 0.00 O ATOM 0 H GLU A 72 -8.196 2.437 -7.699 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.806 4.952 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.566 3.740 -9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.210 5.364 -9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.148 5.855 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.486 4.354 -8.367 1.00 0.00 H new ATOM 360 N GLY A 73 -11.283 5.072 -6.507 1.00 0.00 N ATOM 361 CA GLY A 73 -12.729 5.273 -6.469 1.00 0.00 C ATOM 362 C GLY A 73 -13.290 4.915 -5.096 1.00 0.00 C ATOM 363 O GLY A 73 -14.279 5.493 -4.645 1.00 0.00 O ATOM 0 H GLY A 73 -10.776 5.473 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.963 6.312 -6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.206 4.659 -7.233 1.00 0.00 H new ATOM 367 N ASP A 74 -12.647 3.955 -4.437 1.00 0.00 N ATOM 368 CA ASP A 74 -13.091 3.526 -3.114 1.00 0.00 C ATOM 369 C ASP A 74 -12.458 4.391 -2.030 1.00 0.00 C ATOM 370 O ASP A 74 -11.309 4.816 -2.146 1.00 0.00 O ATOM 371 CB ASP A 74 -12.708 2.065 -2.869 1.00 0.00 C ATOM 372 CG ASP A 74 -13.481 1.167 -3.829 1.00 0.00 C ATOM 373 OD1 ASP A 74 -13.344 1.358 -5.026 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.198 0.303 -3.353 1.00 0.00 O ATOM 0 H ASP A 74 -11.826 3.464 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.175 3.631 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.636 1.930 -3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.929 1.788 -1.838 1.00 0.00 H new ATOM 379 N THR A 75 -13.223 4.646 -0.973 1.00 0.00 N ATOM 380 CA THR A 75 -12.732 5.461 0.135 1.00 0.00 C ATOM 381 C THR A 75 -12.134 4.573 1.220 1.00 0.00 C ATOM 382 O THR A 75 -12.546 3.427 1.400 1.00 0.00 O ATOM 383 CB THR A 75 -13.867 6.291 0.736 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.689 6.793 -0.308 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.283 7.458 1.533 1.00 0.00 C ATOM 0 H THR A 75 -14.177 4.304 -0.860 1.00 0.00 H new ATOM 0 HA THR A 75 -11.964 6.130 -0.253 1.00 0.00 H new ATOM 0 HB THR A 75 -14.463 5.664 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.418 7.324 0.076 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.093 8.048 1.961 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.653 7.072 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.685 8.087 0.873 1.00 0.00 H new ATOM 393 N VAL A 76 -11.156 5.114 1.941 1.00 0.00 N ATOM 394 CA VAL A 76 -10.505 4.359 3.008 1.00 0.00 C ATOM 395 C VAL A 76 -10.567 5.128 4.323 1.00 0.00 C ATOM 396 O VAL A 76 -10.888 6.316 4.353 1.00 0.00 O ATOM 397 CB VAL A 76 -9.041 4.092 2.659 1.00 0.00 C ATOM 398 CG1 VAL A 76 -8.968 3.166 1.444 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.345 5.414 2.332 1.00 0.00 C ATOM 0 H VAL A 76 -10.800 6.061 1.809 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.033 3.411 3.116 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.546 3.620 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.924 2.975 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.464 2.223 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.463 3.639 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.301 5.224 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.840 5.886 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.397 6.076 3.196 1.00 0.00 H new ATOM 409 N LYS A 77 -10.253 4.433 5.413 1.00 0.00 N ATOM 410 CA LYS A 77 -10.271 5.053 6.734 1.00 0.00 C ATOM 411 C LYS A 77 -8.961 4.777 7.463 1.00 0.00 C ATOM 412 O LYS A 77 -8.343 3.728 7.285 1.00 0.00 O ATOM 413 CB LYS A 77 -11.432 4.507 7.568 1.00 0.00 C ATOM 414 CG LYS A 77 -11.921 5.588 8.533 1.00 0.00 C ATOM 415 CD LYS A 77 -12.588 4.930 9.742 1.00 0.00 C ATOM 416 CE LYS A 77 -12.374 5.801 10.981 1.00 0.00 C ATOM 417 NZ LYS A 77 -13.502 6.755 11.176 1.00 0.00 N ATOM 0 H LYS A 77 -9.985 3.449 5.408 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.397 6.128 6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.246 4.192 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.111 3.626 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.084 6.206 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.627 6.248 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.654 4.800 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.169 3.937 9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.276 5.166 11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.440 6.355 10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.327 7.331 12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.579 7.376 10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.389 6.225 11.295 1.00 0.00 H new ATOM 431 N ALA A 78 -8.544 5.734 8.288 1.00 0.00 N ATOM 432 CA ALA A 78 -7.301 5.588 9.044 1.00 0.00 C ATOM 433 C ALA A 78 -7.371 4.373 9.964 1.00 0.00 C ATOM 434 O ALA A 78 -7.830 4.463 11.103 1.00 0.00 O ATOM 435 CB ALA A 78 -7.040 6.837 9.889 1.00 0.00 C ATOM 0 H ALA A 78 -9.041 6.610 8.450 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.489 5.454 8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.111 6.712 10.446 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.958 7.707 9.237 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.864 6.983 10.587 1.00 0.00 H new ATOM 441 N GLY A 79 -6.909 3.233 9.456 1.00 0.00 N ATOM 442 CA GLY A 79 -6.921 2.001 10.241 1.00 0.00 C ATOM 443 C GLY A 79 -7.381 0.818 9.393 1.00 0.00 C ATOM 444 O GLY A 79 -6.970 -0.321 9.619 1.00 0.00 O ATOM 0 H GLY A 79 -6.526 3.136 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.923 1.806 10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.584 2.118 11.099 1.00 0.00 H new ATOM 448 N GLN A 80 -8.242 1.098 8.419 1.00 0.00 N ATOM 449 CA GLN A 80 -8.756 0.047 7.544 1.00 0.00 C ATOM 450 C GLN A 80 -7.652 -0.480 6.631 1.00 0.00 C ATOM 451 O GLN A 80 -6.801 0.275 6.161 1.00 0.00 O ATOM 452 CB GLN A 80 -9.902 0.581 6.682 1.00 0.00 C ATOM 453 CG GLN A 80 -10.664 -0.591 6.061 1.00 0.00 C ATOM 454 CD GLN A 80 -11.549 -0.081 4.930 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.673 0.364 5.165 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.108 -0.120 3.703 1.00 0.00 N ATOM 0 H GLN A 80 -8.596 2.033 8.216 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.122 -0.764 8.175 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.576 1.186 7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.510 1.229 5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.963 -1.334 5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.273 -1.085 6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.177 -0.488 3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.694 0.218 2.939 1.00 0.00 H new ATOM 465 N THR A 81 -7.682 -1.786 6.382 1.00 0.00 N ATOM 466 CA THR A 81 -6.683 -2.412 5.519 1.00 0.00 C ATOM 467 C THR A 81 -6.815 -1.887 4.094 1.00 0.00 C ATOM 468 O THR A 81 -7.921 -1.718 3.580 1.00 0.00 O ATOM 469 CB THR A 81 -6.859 -3.933 5.511 1.00 0.00 C ATOM 470 OG1 THR A 81 -6.894 -4.411 6.849 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.691 -4.581 4.767 1.00 0.00 C ATOM 0 H THR A 81 -8.379 -2.427 6.761 1.00 0.00 H new ATOM 0 HA THR A 81 -5.695 -2.166 5.909 1.00 0.00 H new ATOM 0 HB THR A 81 -7.792 -4.188 5.008 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.464 -3.759 7.441 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.818 -5.664 4.762 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.665 -4.214 3.741 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.756 -4.328 5.267 1.00 0.00 H new ATOM 479 N VAL A 82 -5.673 -1.620 3.463 1.00 0.00 N ATOM 480 CA VAL A 82 -5.677 -1.101 2.096 1.00 0.00 C ATOM 481 C VAL A 82 -5.033 -2.087 1.122 1.00 0.00 C ATOM 482 O VAL A 82 -5.341 -2.084 -0.069 1.00 0.00 O ATOM 483 CB VAL A 82 -4.924 0.229 2.029 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.681 1.286 2.835 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.521 0.054 2.617 1.00 0.00 C ATOM 0 H VAL A 82 -4.746 -1.752 3.868 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.718 -0.953 1.808 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.847 0.548 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.144 2.233 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.680 1.414 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.758 0.965 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.985 1.002 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.599 -0.266 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.978 -0.699 2.045 1.00 0.00 H new ATOM 495 N LEU A 83 -4.130 -2.925 1.629 1.00 0.00 N ATOM 496 CA LEU A 83 -3.454 -3.895 0.770 1.00 0.00 C ATOM 497 C LEU A 83 -2.755 -4.966 1.601 1.00 0.00 C ATOM 498 O LEU A 83 -2.311 -4.713 2.722 1.00 0.00 O ATOM 499 CB LEU A 83 -2.415 -3.189 -0.103 1.00 0.00 C ATOM 500 CG LEU A 83 -1.778 -4.047 -1.202 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.459 -3.173 -2.416 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.483 -4.671 -0.676 1.00 0.00 C ATOM 0 H LEU A 83 -3.854 -2.953 2.610 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.209 -4.368 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.887 -2.324 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.622 -2.810 0.542 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.473 -4.834 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.006 -3.785 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.378 -2.725 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.765 -2.385 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.030 -5.281 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.209 -3.881 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.705 -5.296 0.189 1.00 0.00 H new ATOM 514 N VAL A 84 -2.655 -6.165 1.032 1.00 0.00 N ATOM 515 CA VAL A 84 -1.999 -7.274 1.718 1.00 0.00 C ATOM 516 C VAL A 84 -0.640 -7.551 1.082 1.00 0.00 C ATOM 517 O VAL A 84 -0.498 -7.536 -0.141 1.00 0.00 O ATOM 518 CB VAL A 84 -2.856 -8.541 1.639 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.242 -9.631 2.520 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.272 -8.230 2.131 1.00 0.00 C ATOM 0 H VAL A 84 -3.017 -6.392 0.106 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.867 -6.996 2.764 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.895 -8.887 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.853 -10.532 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.233 -9.854 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.202 -9.285 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.883 -9.131 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.230 -7.883 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.712 -7.454 1.505 1.00 0.00 H new ATOM 530 N LEU A 85 0.360 -7.799 1.923 1.00 0.00 N ATOM 531 CA LEU A 85 1.707 -8.073 1.427 1.00 0.00 C ATOM 532 C LEU A 85 2.130 -9.497 1.780 1.00 0.00 C ATOM 533 O LEU A 85 1.520 -10.152 2.624 1.00 0.00 O ATOM 534 CB LEU A 85 2.710 -7.085 2.029 1.00 0.00 C ATOM 535 CG LEU A 85 2.911 -5.790 1.238 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.978 -4.933 1.921 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.364 -6.130 -0.184 1.00 0.00 C ATOM 0 H LEU A 85 0.267 -7.816 2.939 1.00 0.00 H new ATOM 0 HA LEU A 85 1.695 -7.961 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.382 -6.828 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.674 -7.585 2.126 1.00 0.00 H new ATOM 0 HG LEU A 85 1.972 -5.237 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.120 -4.011 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.657 -4.692 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.918 -5.484 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.508 -5.210 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.303 -6.682 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.604 -6.741 -0.672 1.00 0.00 H new ATOM 549 N GLU A 86 3.187 -9.964 1.121 1.00 0.00 N ATOM 550 CA GLU A 86 3.694 -11.311 1.366 1.00 0.00 C ATOM 551 C GLU A 86 5.214 -11.292 1.487 1.00 0.00 C ATOM 552 O GLU A 86 5.931 -11.238 0.488 1.00 0.00 O ATOM 553 CB GLU A 86 3.297 -12.249 0.225 1.00 0.00 C ATOM 554 CG GLU A 86 1.935 -12.875 0.526 1.00 0.00 C ATOM 555 CD GLU A 86 1.752 -14.130 -0.319 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.331 -15.145 0.030 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.037 -14.057 -1.305 1.00 0.00 O ATOM 0 H GLU A 86 3.705 -9.435 0.419 1.00 0.00 H new ATOM 0 HA GLU A 86 3.258 -11.671 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.256 -11.698 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.048 -13.029 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.864 -13.124 1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.140 -12.161 0.312 1.00 0.00 H new ATOM 564 N ALA A 87 5.698 -11.337 2.726 1.00 0.00 N ATOM 565 CA ALA A 87 7.136 -11.324 2.972 1.00 0.00 C ATOM 566 C ALA A 87 7.472 -12.148 4.210 1.00 0.00 C ATOM 567 O ALA A 87 6.666 -12.267 5.132 1.00 0.00 O ATOM 568 CB ALA A 87 7.633 -9.891 3.177 1.00 0.00 C ATOM 0 H ALA A 87 5.122 -11.382 3.567 1.00 0.00 H new ATOM 0 HA ALA A 87 7.629 -11.757 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.708 -9.901 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.422 -9.301 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.124 -9.448 4.033 1.00 0.00 H new ATOM 574 N MET A 88 8.677 -12.715 4.221 1.00 0.00 N ATOM 575 CA MET A 88 9.119 -13.529 5.351 1.00 0.00 C ATOM 576 C MET A 88 8.193 -14.727 5.554 1.00 0.00 C ATOM 577 O MET A 88 8.028 -15.217 6.670 1.00 0.00 O ATOM 578 CB MET A 88 9.145 -12.696 6.634 1.00 0.00 C ATOM 579 CG MET A 88 10.167 -11.567 6.489 1.00 0.00 C ATOM 580 SD MET A 88 10.199 -10.581 8.006 1.00 0.00 S ATOM 581 CE MET A 88 11.306 -9.281 7.408 1.00 0.00 C ATOM 0 H MET A 88 9.359 -12.627 3.468 1.00 0.00 H new ATOM 0 HA MET A 88 10.124 -13.887 5.128 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.156 -12.282 6.832 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.403 -13.327 7.485 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.156 -11.981 6.291 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.909 -10.936 5.638 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.468 -8.548 8.199 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.261 -9.720 7.120 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.857 -8.790 6.545 1.00 0.00 H new ATOM 591 N LYS A 89 7.595 -15.195 4.459 1.00 0.00 N ATOM 592 CA LYS A 89 6.690 -16.341 4.525 1.00 0.00 C ATOM 593 C LYS A 89 5.515 -16.054 5.458 1.00 0.00 C ATOM 594 O LYS A 89 4.985 -16.956 6.105 1.00 0.00 O ATOM 595 CB LYS A 89 7.433 -17.580 5.029 1.00 0.00 C ATOM 596 CG LYS A 89 8.505 -17.980 4.014 1.00 0.00 C ATOM 597 CD LYS A 89 9.429 -19.031 4.633 1.00 0.00 C ATOM 598 CE LYS A 89 8.883 -20.429 4.336 1.00 0.00 C ATOM 599 NZ LYS A 89 9.940 -21.469 4.488 1.00 0.00 N ATOM 0 H LYS A 89 7.719 -14.803 3.525 1.00 0.00 H new ATOM 0 HA LYS A 89 6.313 -16.523 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.892 -17.374 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.733 -18.402 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.037 -18.377 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.082 -17.105 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.436 -18.929 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.501 -18.878 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.055 -20.649 5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.485 -20.458 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.538 -22.405 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.719 -21.272 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.302 -21.456 5.463 1.00 0.00 H new ATOM 613 N MET A 90 5.114 -14.787 5.517 1.00 0.00 N ATOM 614 CA MET A 90 3.996 -14.393 6.372 1.00 0.00 C ATOM 615 C MET A 90 3.209 -13.256 5.730 1.00 0.00 C ATOM 616 O MET A 90 3.781 -12.334 5.148 1.00 0.00 O ATOM 617 CB MET A 90 4.501 -13.941 7.745 1.00 0.00 C ATOM 618 CG MET A 90 5.557 -12.849 7.569 1.00 0.00 C ATOM 619 SD MET A 90 5.895 -12.073 9.169 1.00 0.00 S ATOM 620 CE MET A 90 7.492 -12.868 9.474 1.00 0.00 C ATOM 0 H MET A 90 5.539 -14.024 4.991 1.00 0.00 H new ATOM 0 HA MET A 90 3.346 -15.259 6.495 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.671 -13.565 8.343 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.925 -14.788 8.285 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.472 -13.276 7.159 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.207 -12.102 6.857 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.545 -13.190 10.514 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.598 -13.734 8.820 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.296 -12.160 9.272 1.00 0.00 H new ATOM 630 N GLU A 91 1.885 -13.336 5.841 1.00 0.00 N ATOM 631 CA GLU A 91 1.018 -12.310 5.266 1.00 0.00 C ATOM 632 C GLU A 91 1.017 -11.059 6.139 1.00 0.00 C ATOM 633 O GLU A 91 0.746 -11.120 7.337 1.00 0.00 O ATOM 634 CB GLU A 91 -0.415 -12.830 5.140 1.00 0.00 C ATOM 635 CG GLU A 91 -0.581 -13.555 3.804 1.00 0.00 C ATOM 636 CD GLU A 91 -1.957 -14.209 3.747 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.392 -14.720 4.767 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.558 -14.187 2.685 1.00 0.00 O ATOM 0 H GLU A 91 1.393 -14.092 6.318 1.00 0.00 H new ATOM 0 HA GLU A 91 1.403 -12.061 4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.641 -13.507 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.120 -12.002 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.467 -12.851 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.197 -14.310 3.689 1.00 0.00 H new ATOM 645 N THR A 92 1.321 -9.922 5.519 1.00 0.00 N ATOM 646 CA THR A 92 1.351 -8.655 6.242 1.00 0.00 C ATOM 647 C THR A 92 0.382 -7.663 5.608 1.00 0.00 C ATOM 648 O THR A 92 0.582 -7.212 4.481 1.00 0.00 O ATOM 649 CB THR A 92 2.761 -8.058 6.221 1.00 0.00 C ATOM 650 OG1 THR A 92 3.714 -9.092 6.427 1.00 0.00 O ATOM 651 CG2 THR A 92 2.891 -7.013 7.330 1.00 0.00 C ATOM 0 H THR A 92 1.548 -9.852 4.527 1.00 0.00 H new ATOM 0 HA THR A 92 1.056 -8.847 7.274 1.00 0.00 H new ATOM 0 HB THR A 92 2.941 -7.584 5.256 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.617 -8.712 6.412 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.895 -6.589 7.314 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.160 -6.221 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.711 -7.484 8.296 1.00 0.00 H new ATOM 659 N GLU A 93 -0.674 -7.331 6.347 1.00 0.00 N ATOM 660 CA GLU A 93 -1.675 -6.393 5.848 1.00 0.00 C ATOM 661 C GLU A 93 -1.272 -4.959 6.174 1.00 0.00 C ATOM 662 O GLU A 93 -0.716 -4.681 7.237 1.00 0.00 O ATOM 663 CB GLU A 93 -3.041 -6.682 6.477 1.00 0.00 C ATOM 664 CG GLU A 93 -3.654 -7.921 5.821 1.00 0.00 C ATOM 665 CD GLU A 93 -3.282 -9.159 6.628 1.00 0.00 C ATOM 666 OE1 GLU A 93 -2.115 -9.514 6.629 1.00 0.00 O ATOM 667 OE2 GLU A 93 -4.171 -9.736 7.233 1.00 0.00 O ATOM 0 H GLU A 93 -0.857 -7.693 7.283 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.740 -6.515 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.933 -6.842 7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.701 -5.825 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.738 -7.820 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.294 -8.019 4.797 1.00 0.00 H new ATOM 674 N ILE A 94 -1.560 -4.050 5.246 1.00 0.00 N ATOM 675 CA ILE A 94 -1.226 -2.642 5.441 1.00 0.00 C ATOM 676 C ILE A 94 -2.500 -1.801 5.485 1.00 0.00 C ATOM 677 O ILE A 94 -3.332 -1.855 4.579 1.00 0.00 O ATOM 678 CB ILE A 94 -0.318 -2.146 4.307 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.949 -3.001 4.269 1.00 0.00 C ATOM 680 CG2 ILE A 94 0.075 -0.684 4.550 1.00 0.00 C ATOM 681 CD1 ILE A 94 0.681 -4.281 3.479 1.00 0.00 C ATOM 0 H ILE A 94 -2.019 -4.260 4.360 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.697 -2.540 6.388 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.853 -2.223 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.763 -2.442 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.264 -3.247 5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.719 -0.341 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.823 -0.067 4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.608 -0.603 5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.585 -4.889 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.120 -4.843 3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.387 -4.025 2.461 1.00 0.00 H new ATOM 693 N ASN A 95 -2.638 -1.020 6.554 1.00 0.00 N ATOM 694 CA ASN A 95 -3.810 -0.165 6.716 1.00 0.00 C ATOM 695 C ASN A 95 -3.470 1.274 6.341 1.00 0.00 C ATOM 696 O ASN A 95 -2.317 1.696 6.423 1.00 0.00 O ATOM 697 CB ASN A 95 -4.303 -0.199 8.164 1.00 0.00 C ATOM 698 CG ASN A 95 -4.611 -1.638 8.563 1.00 0.00 C ATOM 699 OD1 ASN A 95 -5.616 -2.206 8.137 1.00 0.00 O ATOM 700 ND2 ASN A 95 -3.798 -2.267 9.367 1.00 0.00 N ATOM 0 H ASN A 95 -1.960 -0.962 7.314 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.595 -0.539 6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.546 0.219 8.827 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.195 0.418 8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.996 -3.229 9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.965 -1.797 9.720 1.00 0.00 H new ATOM 707 N ALA A 96 -4.489 2.020 5.926 1.00 0.00 N ATOM 708 CA ALA A 96 -4.289 3.413 5.537 1.00 0.00 C ATOM 709 C ALA A 96 -3.779 4.230 6.728 1.00 0.00 C ATOM 710 O ALA A 96 -4.215 4.022 7.860 1.00 0.00 O ATOM 711 CB ALA A 96 -5.602 4.022 5.040 1.00 0.00 C ATOM 0 H ALA A 96 -5.451 1.689 5.851 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.551 3.438 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.436 5.061 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.960 3.461 4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.347 3.979 5.835 1.00 0.00 H new ATOM 717 N PRO A 97 -2.851 5.170 6.492 1.00 0.00 N ATOM 718 CA PRO A 97 -2.296 6.009 7.566 1.00 0.00 C ATOM 719 C PRO A 97 -3.291 7.059 8.050 1.00 0.00 C ATOM 720 O PRO A 97 -3.308 7.427 9.225 1.00 0.00 O ATOM 721 CB PRO A 97 -1.086 6.679 6.920 1.00 0.00 C ATOM 722 CG PRO A 97 -1.378 6.689 5.460 1.00 0.00 C ATOM 723 CD PRO A 97 -2.260 5.505 5.182 1.00 0.00 C ATOM 0 HA PRO A 97 -2.046 5.421 8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.946 7.691 7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.170 6.129 7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.874 7.616 5.172 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.456 6.628 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.030 5.747 4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.688 4.669 4.779 1.00 0.00 H new ATOM 731 N THR A 98 -4.123 7.537 7.128 1.00 0.00 N ATOM 732 CA THR A 98 -5.123 8.546 7.466 1.00 0.00 C ATOM 733 C THR A 98 -6.366 8.371 6.601 1.00 0.00 C ATOM 734 O THR A 98 -6.304 7.814 5.505 1.00 0.00 O ATOM 735 CB THR A 98 -4.559 9.952 7.251 1.00 0.00 C ATOM 736 OG1 THR A 98 -4.262 10.135 5.873 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.284 10.125 8.077 1.00 0.00 C ATOM 0 H THR A 98 -4.125 7.246 6.151 1.00 0.00 H new ATOM 0 HA THR A 98 -5.389 8.420 8.515 1.00 0.00 H new ATOM 0 HB THR A 98 -5.295 10.691 7.566 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.902 11.036 5.733 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.884 11.127 7.923 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.513 9.984 9.133 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.545 9.387 7.765 1.00 0.00 H new ATOM 745 N ASP A 99 -7.497 8.855 7.105 1.00 0.00 N ATOM 746 CA ASP A 99 -8.754 8.747 6.369 1.00 0.00 C ATOM 747 C ASP A 99 -8.678 9.539 5.069 1.00 0.00 C ATOM 748 O ASP A 99 -8.080 10.614 5.013 1.00 0.00 O ATOM 749 CB ASP A 99 -9.916 9.280 7.210 1.00 0.00 C ATOM 750 CG ASP A 99 -9.593 10.690 7.695 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.663 11.602 6.888 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.281 10.836 8.865 1.00 0.00 O ATOM 0 H ASP A 99 -7.570 9.321 8.009 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.923 7.694 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.832 9.289 6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.093 8.623 8.062 1.00 0.00 H new ATOM 757 N GLY A 100 -9.292 8.995 4.023 1.00 0.00 N ATOM 758 CA GLY A 100 -9.290 9.657 2.721 1.00 0.00 C ATOM 759 C GLY A 100 -9.823 8.726 1.638 1.00 0.00 C ATOM 760 O GLY A 100 -10.568 7.787 1.918 1.00 0.00 O ATOM 0 H GLY A 100 -9.793 8.107 4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.902 10.558 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.277 9.972 2.470 1.00 0.00 H new ATOM 764 N LYS A 101 -9.433 8.999 0.396 1.00 0.00 N ATOM 765 CA LYS A 101 -9.878 8.181 -0.729 1.00 0.00 C ATOM 766 C LYS A 101 -8.701 7.850 -1.644 1.00 0.00 C ATOM 767 O LYS A 101 -7.740 8.613 -1.745 1.00 0.00 O ATOM 768 CB LYS A 101 -10.945 8.921 -1.539 1.00 0.00 C ATOM 769 CG LYS A 101 -11.544 7.975 -2.582 1.00 0.00 C ATOM 770 CD LYS A 101 -12.847 8.569 -3.122 1.00 0.00 C ATOM 771 CE LYS A 101 -12.540 9.842 -3.910 1.00 0.00 C ATOM 772 NZ LYS A 101 -11.756 9.544 -5.143 1.00 0.00 N ATOM 0 H LYS A 101 -8.816 9.772 0.144 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.300 7.259 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.728 9.291 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.506 9.789 -2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.837 7.821 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.734 6.999 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.351 7.845 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.525 8.793 -2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.472 10.338 -4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.982 10.535 -3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.822 10.348 -5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.760 9.384 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.138 8.692 -5.600 1.00 0.00 H new ATOM 786 N VAL A 102 -8.790 6.702 -2.310 1.00 0.00 N ATOM 787 CA VAL A 102 -7.729 6.274 -3.218 1.00 0.00 C ATOM 788 C VAL A 102 -7.833 7.023 -4.543 1.00 0.00 C ATOM 789 O VAL A 102 -8.767 6.814 -5.318 1.00 0.00 O ATOM 790 CB VAL A 102 -7.824 4.768 -3.483 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.599 4.308 -4.277 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.874 4.018 -2.150 1.00 0.00 C ATOM 0 H VAL A 102 -9.577 6.057 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.771 6.497 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.728 4.558 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.668 3.236 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.560 4.841 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.695 4.519 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.942 2.946 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.970 4.230 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.746 4.343 -1.582 1.00 0.00 H new ATOM 802 N GLU A 103 -6.863 7.898 -4.794 1.00 0.00 N ATOM 803 CA GLU A 103 -6.856 8.676 -6.030 1.00 0.00 C ATOM 804 C GLU A 103 -6.020 7.978 -7.101 1.00 0.00 C ATOM 805 O GLU A 103 -6.297 8.092 -8.294 1.00 0.00 O ATOM 806 CB GLU A 103 -6.287 10.077 -5.786 1.00 0.00 C ATOM 807 CG GLU A 103 -4.922 9.971 -5.101 1.00 0.00 C ATOM 808 CD GLU A 103 -4.212 11.319 -5.172 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.846 11.718 -6.266 1.00 0.00 O ATOM 810 OE2 GLU A 103 -4.046 11.934 -4.131 1.00 0.00 O ATOM 0 H GLU A 103 -6.081 8.085 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.887 8.761 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.189 10.609 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.972 10.654 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.047 9.668 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.318 9.204 -5.586 1.00 0.00 H new ATOM 817 N LYS A 104 -4.995 7.253 -6.660 1.00 0.00 N ATOM 818 CA LYS A 104 -4.123 6.538 -7.589 1.00 0.00 C ATOM 819 C LYS A 104 -3.455 5.360 -6.885 1.00 0.00 C ATOM 820 O LYS A 104 -3.235 5.385 -5.674 1.00 0.00 O ATOM 821 CB LYS A 104 -3.041 7.478 -8.142 1.00 0.00 C ATOM 822 CG LYS A 104 -3.426 7.940 -9.550 1.00 0.00 C ATOM 823 CD LYS A 104 -3.273 6.773 -10.532 1.00 0.00 C ATOM 824 CE LYS A 104 -1.892 6.826 -11.198 1.00 0.00 C ATOM 825 NZ LYS A 104 -2.008 7.032 -12.669 1.00 0.00 N ATOM 0 H LYS A 104 -4.749 7.145 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.733 6.169 -8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.925 8.340 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.079 6.965 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.454 8.302 -9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.793 8.772 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.396 5.826 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.054 6.821 -11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.306 7.634 -10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.354 5.899 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.058 7.063 -13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.547 6.248 -13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.500 7.929 -12.856 1.00 0.00 H new ATOM 839 N VAL A 105 -3.134 4.329 -7.661 1.00 0.00 N ATOM 840 CA VAL A 105 -2.487 3.142 -7.105 1.00 0.00 C ATOM 841 C VAL A 105 -1.284 2.748 -7.955 1.00 0.00 C ATOM 842 O VAL A 105 -1.427 2.338 -9.108 1.00 0.00 O ATOM 843 CB VAL A 105 -3.467 1.968 -7.050 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.828 0.802 -6.294 1.00 0.00 C ATOM 845 CG2 VAL A 105 -4.745 2.403 -6.327 1.00 0.00 C ATOM 0 H VAL A 105 -3.308 4.289 -8.665 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.157 3.381 -6.094 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.711 1.653 -8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.527 -0.033 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.918 0.491 -6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.583 1.117 -5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.443 1.567 -6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.500 2.719 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.203 3.233 -6.865 1.00 0.00 H new ATOM 855 N LEU A 106 -0.096 2.875 -7.373 1.00 0.00 N ATOM 856 CA LEU A 106 1.130 2.528 -8.083 1.00 0.00 C ATOM 857 C LEU A 106 1.408 1.033 -7.962 1.00 0.00 C ATOM 858 O LEU A 106 1.952 0.412 -8.874 1.00 0.00 O ATOM 859 CB LEU A 106 2.319 3.302 -7.510 1.00 0.00 C ATOM 860 CG LEU A 106 2.041 4.765 -7.154 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.975 5.204 -6.024 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.285 5.643 -8.385 1.00 0.00 C ATOM 0 H LEU A 106 0.044 3.212 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 106 0.997 2.792 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.668 2.788 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.134 3.270 -8.233 1.00 0.00 H new ATOM 0 HG LEU A 106 1.006 4.869 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.776 6.246 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.804 4.579 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.011 5.100 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.088 6.685 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.321 5.538 -8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.620 5.332 -9.191 1.00 0.00 H new ATOM 874 N VAL A 107 1.027 0.464 -6.821 1.00 0.00 N ATOM 875 CA VAL A 107 1.240 -0.961 -6.584 1.00 0.00 C ATOM 876 C VAL A 107 0.156 -1.788 -7.273 1.00 0.00 C ATOM 877 O VAL A 107 -1.006 -1.384 -7.341 1.00 0.00 O ATOM 878 CB VAL A 107 1.237 -1.265 -5.081 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.353 -0.467 -4.404 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.115 -0.873 -4.465 1.00 0.00 C ATOM 0 H VAL A 107 0.574 0.961 -6.054 1.00 0.00 H new ATOM 0 HA VAL A 107 2.211 -1.229 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 107 1.400 -2.332 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.355 -0.680 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.314 -0.751 -4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.186 0.598 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.106 -1.093 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.287 0.193 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.912 -1.440 -4.946 1.00 0.00 H new ATOM 890 N LYS A 108 0.550 -2.954 -7.778 1.00 0.00 N ATOM 891 CA LYS A 108 -0.394 -3.836 -8.457 1.00 0.00 C ATOM 892 C LYS A 108 -0.231 -5.268 -7.958 1.00 0.00 C ATOM 893 O LYS A 108 0.771 -5.612 -7.330 1.00 0.00 O ATOM 894 CB LYS A 108 -0.164 -3.807 -9.969 1.00 0.00 C ATOM 895 CG LYS A 108 -0.518 -2.421 -10.513 1.00 0.00 C ATOM 896 CD LYS A 108 -2.021 -2.350 -10.792 1.00 0.00 C ATOM 897 CE LYS A 108 -2.297 -2.817 -12.223 1.00 0.00 C ATOM 898 NZ LYS A 108 -2.615 -4.272 -12.268 1.00 0.00 N ATOM 0 H LYS A 108 1.506 -3.307 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.402 -3.484 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.876 -4.043 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.775 -4.567 -10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.234 -1.653 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.042 -2.224 -11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.563 -2.976 -10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.379 -1.330 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.129 -2.248 -12.639 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.427 -2.614 -12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.245 -4.465 -13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.736 -4.816 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.087 -4.552 -11.384 1.00 0.00 H new ATOM 912 N GLU A 109 -1.228 -6.100 -8.244 1.00 0.00 N ATOM 913 CA GLU A 109 -1.187 -7.498 -7.820 1.00 0.00 C ATOM 914 C GLU A 109 0.007 -8.211 -8.448 1.00 0.00 C ATOM 915 O GLU A 109 0.381 -7.938 -9.588 1.00 0.00 O ATOM 916 CB GLU A 109 -2.472 -8.220 -8.230 1.00 0.00 C ATOM 917 CG GLU A 109 -3.584 -7.893 -7.231 1.00 0.00 C ATOM 918 CD GLU A 109 -4.880 -8.562 -7.674 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.038 -9.741 -7.402 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.696 -7.886 -8.279 1.00 0.00 O ATOM 0 H GLU A 109 -2.066 -5.836 -8.762 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.091 -7.517 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.769 -7.914 -9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.302 -9.296 -8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.306 -8.239 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.723 -6.814 -7.166 1.00 0.00 H new ATOM 927 N ARG A 110 0.600 -9.128 -7.688 1.00 0.00 N ATOM 928 CA ARG A 110 1.756 -9.880 -8.175 1.00 0.00 C ATOM 929 C ARG A 110 2.915 -8.936 -8.482 1.00 0.00 C ATOM 930 O ARG A 110 3.683 -9.154 -9.419 1.00 0.00 O ATOM 931 CB ARG A 110 1.396 -10.662 -9.442 1.00 0.00 C ATOM 932 CG ARG A 110 2.297 -11.894 -9.556 1.00 0.00 C ATOM 933 CD ARG A 110 1.529 -13.026 -10.239 1.00 0.00 C ATOM 934 NE ARG A 110 2.433 -13.857 -11.030 1.00 0.00 N ATOM 935 CZ ARG A 110 2.765 -13.518 -12.272 1.00 0.00 C ATOM 936 NH1 ARG A 110 1.833 -13.278 -13.154 1.00 0.00 N ATOM 937 NH2 ARG A 110 4.022 -13.425 -12.609 1.00 0.00 N ATOM 0 H ARG A 110 0.304 -9.368 -6.742 1.00 0.00 H new ATOM 0 HA ARG A 110 2.055 -10.579 -7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.350 -10.966 -9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.517 -10.028 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.193 -11.651 -10.128 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.627 -12.209 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.028 -13.637 -9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.753 -12.610 -10.882 1.00 0.00 H new ATOM 0 HE ARG A 110 2.816 -14.711 -10.623 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.850 -13.351 -12.890 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.087 -13.018 -14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.750 -13.612 -11.920 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.277 -13.165 -13.562 1.00 0.00 H new ATOM 951 N ASP A 111 3.032 -7.883 -7.679 1.00 0.00 N ATOM 952 CA ASP A 111 4.101 -6.906 -7.868 1.00 0.00 C ATOM 953 C ASP A 111 4.912 -6.749 -6.585 1.00 0.00 C ATOM 954 O ASP A 111 4.384 -6.879 -5.480 1.00 0.00 O ATOM 955 CB ASP A 111 3.521 -5.546 -8.260 1.00 0.00 C ATOM 956 CG ASP A 111 4.607 -4.699 -8.916 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.406 -5.258 -9.649 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.625 -3.503 -8.674 1.00 0.00 O ATOM 0 H ASP A 111 2.407 -7.684 -6.898 1.00 0.00 H new ATOM 0 HA ASP A 111 4.749 -7.267 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.685 -5.680 -8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.131 -5.037 -7.378 1.00 0.00 H new ATOM 963 N ALA A 112 6.201 -6.466 -6.744 1.00 0.00 N ATOM 964 CA ALA A 112 7.081 -6.293 -5.591 1.00 0.00 C ATOM 965 C ALA A 112 7.143 -4.825 -5.183 1.00 0.00 C ATOM 966 O ALA A 112 7.164 -3.931 -6.029 1.00 0.00 O ATOM 967 CB ALA A 112 8.495 -6.779 -5.918 1.00 0.00 C ATOM 0 H ALA A 112 6.657 -6.352 -7.649 1.00 0.00 H new ATOM 0 HA ALA A 112 6.676 -6.882 -4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.137 -6.643 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.464 -7.836 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.892 -6.205 -6.755 1.00 0.00 H new ATOM 973 N VAL A 113 7.172 -4.587 -3.874 1.00 0.00 N ATOM 974 CA VAL A 113 7.232 -3.223 -3.358 1.00 0.00 C ATOM 975 C VAL A 113 8.460 -3.044 -2.472 1.00 0.00 C ATOM 976 O VAL A 113 8.990 -4.007 -1.918 1.00 0.00 O ATOM 977 CB VAL A 113 5.977 -2.903 -2.542 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.756 -2.907 -3.463 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.795 -3.961 -1.451 1.00 0.00 C ATOM 0 H VAL A 113 7.155 -5.313 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 113 7.294 -2.543 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 113 6.083 -1.920 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.862 -2.679 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.885 -2.155 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.650 -3.890 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.902 -3.734 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.689 -4.943 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.665 -3.960 -0.795 1.00 0.00 H new ATOM 989 N GLN A 114 8.906 -1.798 -2.344 1.00 0.00 N ATOM 990 CA GLN A 114 10.075 -1.499 -1.520 1.00 0.00 C ATOM 991 C GLN A 114 9.642 -0.952 -0.164 1.00 0.00 C ATOM 992 O GLN A 114 8.700 -0.166 -0.068 1.00 0.00 O ATOM 993 CB GLN A 114 10.969 -0.469 -2.213 1.00 0.00 C ATOM 994 CG GLN A 114 11.990 -1.190 -3.095 1.00 0.00 C ATOM 995 CD GLN A 114 13.074 -0.208 -3.527 1.00 0.00 C ATOM 996 OE1 GLN A 114 12.778 0.837 -4.107 1.00 0.00 O ATOM 997 NE2 GLN A 114 14.325 -0.482 -3.275 1.00 0.00 N ATOM 0 H GLN A 114 8.482 -0.987 -2.794 1.00 0.00 H new ATOM 0 HA GLN A 114 10.634 -2.424 -1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.363 0.206 -2.817 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.482 0.142 -1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.435 -2.022 -2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.496 -1.611 -3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.571 -1.348 -2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 114 15.057 0.169 -3.558 1.00 0.00 H new ATOM 1006 N GLY A 115 10.342 -1.378 0.884 1.00 0.00 N ATOM 1007 CA GLY A 115 10.024 -0.925 2.236 1.00 0.00 C ATOM 1008 C GLY A 115 10.166 0.589 2.348 1.00 0.00 C ATOM 1009 O GLY A 115 11.267 1.114 2.507 1.00 0.00 O ATOM 0 H GLY A 115 11.125 -2.029 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.006 -1.219 2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.687 -1.411 2.952 1.00 0.00 H new ATOM 1013 N GLY A 116 9.035 1.284 2.260 1.00 0.00 N ATOM 1014 CA GLY A 116 9.042 2.742 2.349 1.00 0.00 C ATOM 1015 C GLY A 116 8.448 3.371 1.091 1.00 0.00 C ATOM 1016 O GLY A 116 7.905 4.475 1.132 1.00 0.00 O ATOM 0 H GLY A 116 8.113 0.868 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.472 3.059 3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.063 3.096 2.489 1.00 0.00 H new ATOM 1020 N GLN A 117 8.558 2.658 -0.030 1.00 0.00 N ATOM 1021 CA GLN A 117 8.030 3.160 -1.297 1.00 0.00 C ATOM 1022 C GLN A 117 6.526 3.407 -1.194 1.00 0.00 C ATOM 1023 O GLN A 117 5.802 2.653 -0.546 1.00 0.00 O ATOM 1024 CB GLN A 117 8.290 2.154 -2.421 1.00 0.00 C ATOM 1025 CG GLN A 117 8.011 2.812 -3.776 1.00 0.00 C ATOM 1026 CD GLN A 117 7.392 1.791 -4.725 1.00 0.00 C ATOM 1027 OE1 GLN A 117 6.295 2.001 -5.243 1.00 0.00 O ATOM 1028 NE2 GLN A 117 8.035 0.686 -4.984 1.00 0.00 N ATOM 0 H GLN A 117 9.003 1.742 -0.087 1.00 0.00 H new ATOM 0 HA GLN A 117 8.537 4.099 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.322 1.807 -2.380 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.654 1.278 -2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.337 3.659 -3.648 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.937 3.202 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.944 0.512 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.629 -0.004 -5.616 1.00 0.00 H new ATOM 1037 N GLY A 118 6.070 4.474 -1.844 1.00 0.00 N ATOM 1038 CA GLY A 118 4.651 4.818 -1.822 1.00 0.00 C ATOM 1039 C GLY A 118 3.817 3.712 -2.458 1.00 0.00 C ATOM 1040 O GLY A 118 4.014 3.357 -3.621 1.00 0.00 O ATOM 0 H GLY A 118 6.655 5.109 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.327 4.979 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.491 5.754 -2.357 1.00 0.00 H new ATOM 1044 N LEU A 119 2.883 3.172 -1.682 1.00 0.00 N ATOM 1045 CA LEU A 119 2.019 2.104 -2.177 1.00 0.00 C ATOM 1046 C LEU A 119 0.789 2.690 -2.862 1.00 0.00 C ATOM 1047 O LEU A 119 0.493 2.375 -4.016 1.00 0.00 O ATOM 1048 CB LEU A 119 1.566 1.205 -1.026 1.00 0.00 C ATOM 1049 CG LEU A 119 2.693 0.547 -0.225 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.098 -0.214 0.961 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.455 -0.428 -1.124 1.00 0.00 C ATOM 0 H LEU A 119 2.705 3.452 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 119 2.590 1.515 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 119 0.956 1.797 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.925 0.422 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 119 3.375 1.315 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.900 -0.683 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.554 0.479 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.416 -0.982 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.257 -0.897 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.773 -1.196 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.879 0.113 -1.970 1.00 0.00 H new ATOM 1063 N ILE A 120 0.076 3.547 -2.137 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.124 4.176 -2.682 1.00 0.00 C ATOM 1065 C ILE A 120 -1.210 5.632 -2.232 1.00 0.00 C ATOM 1066 O ILE A 120 -0.746 5.991 -1.151 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.380 3.434 -2.214 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.237 1.941 -2.523 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.605 3.987 -2.946 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.412 1.178 -1.909 1.00 0.00 C ATOM 0 H ILE A 120 0.304 3.820 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.063 4.133 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.503 3.575 -1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.211 1.783 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.296 1.564 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.498 3.458 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.710 5.050 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.481 3.847 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.310 0.115 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.418 1.326 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.346 1.548 -2.331 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.810 6.464 -3.078 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.953 7.883 -2.762 1.00 0.00 C ATOM 1084 C LYS A 121 -3.344 8.164 -2.201 1.00 0.00 C ATOM 1085 O LYS A 121 -4.356 7.816 -2.808 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.739 8.736 -4.013 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.145 10.088 -3.614 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.963 10.955 -4.861 1.00 0.00 C ATOM 1089 CE LYS A 121 -1.047 12.432 -4.475 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.255 12.931 -3.947 1.00 0.00 N ATOM 0 H LYS A 121 -2.201 6.186 -3.978 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.200 8.139 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.071 8.224 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.686 8.882 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.801 10.589 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.186 9.943 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.000 10.744 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.731 10.717 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.338 13.021 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -1.823 12.569 -3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 0.165 13.936 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.520 12.384 -3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.990 12.822 -4.675 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.380 8.799 -1.033 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.653 9.124 -0.392 1.00 0.00 C ATOM 1106 C ILE A 122 -4.984 10.600 -0.589 1.00 0.00 C ATOM 1107 O ILE A 122 -4.097 11.453 -0.616 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.593 8.821 1.109 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.082 7.388 1.334 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.989 8.974 1.719 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -5.018 6.373 0.662 1.00 0.00 C ATOM 0 H ILE A 122 -2.553 9.096 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.428 8.512 -0.853 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.910 9.521 1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.075 7.287 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -4.018 7.182 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.945 8.758 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.342 9.994 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.675 8.278 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.642 5.364 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -6.018 6.463 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.060 6.570 -0.409 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.275 10.891 -0.726 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.719 12.269 -0.920 1.00 0.00 C ATOM 1125 C GLY A 123 -7.922 12.579 -0.037 1.00 0.00 C ATOM 1126 O GLY A 123 -8.427 11.659 0.587 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.322 13.731 0.004 1.00 0.00 O ATOM 0 H GLY A 123 -7.025 10.200 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.904 12.955 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.980 12.428 -1.966 1.00 0.00 H new TER 1131 GLY A 123