USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 500 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 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 160:sc= -1.21 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -122:sc= 0.00558 (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= -0.0249 K(o=-0.025,f=-3.1!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.836 K(o=-0.84,f=-0.12) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.286 9.411 -0.354 1.00 0.00 N ATOM 99 CA GLU A 56 1.527 8.004 -0.665 1.00 0.00 C ATOM 100 C GLU A 56 1.762 7.208 0.614 1.00 0.00 C ATOM 101 O GLU A 56 2.514 7.626 1.494 1.00 0.00 O ATOM 102 CB GLU A 56 2.749 7.858 -1.574 1.00 0.00 C ATOM 103 CG GLU A 56 2.564 8.723 -2.823 1.00 0.00 C ATOM 104 CD GLU A 56 3.925 9.020 -3.444 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.500 8.115 -4.026 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.372 10.149 -3.328 1.00 0.00 O ATOM 0 HA GLU A 56 0.646 7.617 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.650 8.160 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.881 6.814 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.928 8.208 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.061 9.654 -2.562 1.00 0.00 H new ATOM 113 N ILE A 57 1.107 6.054 0.706 1.00 0.00 N ATOM 114 CA ILE A 57 1.247 5.199 1.881 1.00 0.00 C ATOM 115 C ILE A 57 2.546 4.385 1.796 1.00 0.00 C ATOM 116 O ILE A 57 2.669 3.500 0.949 1.00 0.00 O ATOM 117 CB ILE A 57 0.063 4.232 1.981 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.248 5.022 1.918 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.131 3.472 3.307 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.426 4.050 1.829 1.00 0.00 C ATOM 0 H ILE A 57 0.479 5.692 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 57 1.272 5.838 2.764 1.00 0.00 H new ATOM 0 HB ILE A 57 0.105 3.524 1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.348 5.652 2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.244 5.685 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.712 2.785 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.063 2.909 3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.091 4.180 4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.359 4.612 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.327 3.439 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.433 3.405 2.708 1.00 0.00 H new ATOM 132 N PRO A 58 3.529 4.667 2.665 1.00 0.00 N ATOM 133 CA PRO A 58 4.808 3.939 2.660 1.00 0.00 C ATOM 134 C PRO A 58 4.664 2.512 3.183 1.00 0.00 C ATOM 135 O PRO A 58 4.065 2.277 4.232 1.00 0.00 O ATOM 136 CB PRO A 58 5.703 4.756 3.589 1.00 0.00 C ATOM 137 CG PRO A 58 4.766 5.473 4.497 1.00 0.00 C ATOM 138 CD PRO A 58 3.501 5.698 3.721 1.00 0.00 C ATOM 0 HA PRO A 58 5.207 3.839 1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.381 4.113 4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.320 5.456 3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.570 4.885 5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.193 6.421 4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.621 5.592 4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.469 6.701 3.296 1.00 0.00 H new ATOM 146 N ALA A 59 5.221 1.563 2.436 1.00 0.00 N ATOM 147 CA ALA A 59 5.152 0.160 2.830 1.00 0.00 C ATOM 148 C ALA A 59 5.975 -0.079 4.098 1.00 0.00 C ATOM 149 O ALA A 59 6.993 0.576 4.316 1.00 0.00 O ATOM 150 CB ALA A 59 5.686 -0.738 1.713 1.00 0.00 C ATOM 0 H ALA A 59 5.720 1.737 1.564 1.00 0.00 H new ATOM 0 HA ALA A 59 4.107 -0.084 3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.627 -1.781 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.088 -0.594 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.724 -0.480 1.504 1.00 0.00 H new ATOM 156 N PRO A 60 5.545 -1.021 4.949 1.00 0.00 N ATOM 157 CA PRO A 60 6.257 -1.333 6.197 1.00 0.00 C ATOM 158 C PRO A 60 7.567 -2.079 5.947 1.00 0.00 C ATOM 159 O PRO A 60 8.511 -1.987 6.731 1.00 0.00 O ATOM 160 CB PRO A 60 5.280 -2.217 6.969 1.00 0.00 C ATOM 161 CG PRO A 60 4.410 -2.834 5.928 1.00 0.00 C ATOM 162 CD PRO A 60 4.343 -1.861 4.786 1.00 0.00 C ATOM 0 HA PRO A 60 6.540 -0.427 6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.807 -2.978 7.544 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.693 -1.632 7.677 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.819 -3.789 5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.415 -3.034 6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.345 -2.375 3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.432 -1.264 4.826 1.00 0.00 H new ATOM 170 N LEU A 61 7.610 -2.820 4.843 1.00 0.00 N ATOM 171 CA LEU A 61 8.807 -3.580 4.494 1.00 0.00 C ATOM 172 C LEU A 61 8.758 -4.010 3.032 1.00 0.00 C ATOM 173 O LEU A 61 7.691 -4.054 2.418 1.00 0.00 O ATOM 174 CB LEU A 61 8.927 -4.824 5.375 1.00 0.00 C ATOM 175 CG LEU A 61 7.666 -5.686 5.467 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.522 -6.517 4.191 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.777 -6.622 6.674 1.00 0.00 C ATOM 0 H LEU A 61 6.839 -2.910 4.181 1.00 0.00 H new ATOM 0 HA LEU A 61 9.672 -2.937 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.741 -5.441 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.207 -4.511 6.381 1.00 0.00 H new ATOM 0 HG LEU A 61 6.793 -5.043 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.624 -7.131 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.445 -5.852 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.394 -7.161 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.880 -7.237 6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.649 -7.265 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.881 -6.031 7.584 1.00 0.00 H new ATOM 189 N ALA A 62 9.927 -4.326 2.482 1.00 0.00 N ATOM 190 CA ALA A 62 10.012 -4.753 1.088 1.00 0.00 C ATOM 191 C ALA A 62 9.499 -6.182 0.938 1.00 0.00 C ATOM 192 O ALA A 62 10.199 -7.144 1.254 1.00 0.00 O ATOM 193 CB ALA A 62 11.458 -4.687 0.594 1.00 0.00 C ATOM 0 H ALA A 62 10.820 -4.295 2.974 1.00 0.00 H new ATOM 0 HA ALA A 62 9.396 -4.081 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.502 -5.009 -0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.823 -3.663 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.081 -5.342 1.203 1.00 0.00 H new ATOM 199 N GLY A 63 8.266 -6.308 0.454 1.00 0.00 N ATOM 200 CA GLY A 63 7.664 -7.626 0.266 1.00 0.00 C ATOM 201 C GLY A 63 7.099 -7.766 -1.144 1.00 0.00 C ATOM 202 O GLY A 63 7.692 -7.297 -2.116 1.00 0.00 O ATOM 0 H GLY A 63 7.670 -5.524 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.410 -8.400 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.870 -7.776 0.998 1.00 0.00 H new ATOM 206 N THR A 64 5.945 -8.421 -1.243 1.00 0.00 N ATOM 207 CA THR A 64 5.305 -8.623 -2.540 1.00 0.00 C ATOM 208 C THR A 64 3.800 -8.391 -2.434 1.00 0.00 C ATOM 209 O THR A 64 3.149 -8.850 -1.495 1.00 0.00 O ATOM 210 CB THR A 64 5.555 -10.047 -3.043 1.00 0.00 C ATOM 211 OG1 THR A 64 6.945 -10.332 -2.974 1.00 0.00 O ATOM 212 CG2 THR A 64 5.078 -10.170 -4.491 1.00 0.00 C ATOM 0 H THR A 64 5.439 -8.817 -0.451 1.00 0.00 H new ATOM 0 HA THR A 64 5.734 -7.908 -3.242 1.00 0.00 H new ATOM 0 HB THR A 64 5.006 -10.755 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.108 -11.244 -3.294 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.257 -11.184 -4.848 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.012 -9.949 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.625 -9.464 -5.116 1.00 0.00 H new ATOM 220 N VAL A 65 3.256 -7.672 -3.412 1.00 0.00 N ATOM 221 CA VAL A 65 1.824 -7.380 -3.427 1.00 0.00 C ATOM 222 C VAL A 65 1.029 -8.652 -3.710 1.00 0.00 C ATOM 223 O VAL A 65 1.195 -9.286 -4.752 1.00 0.00 O ATOM 224 CB VAL A 65 1.500 -6.338 -4.500 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.039 -5.902 -4.368 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.411 -5.119 -4.320 1.00 0.00 C ATOM 0 H VAL A 65 3.778 -7.284 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 65 1.548 -6.987 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 65 1.662 -6.773 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.190 -5.160 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.612 -6.767 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.123 -5.468 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.181 -4.377 -5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.249 -4.686 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.453 -5.426 -4.415 1.00 0.00 H new ATOM 236 N SER A 66 0.166 -9.018 -2.767 1.00 0.00 N ATOM 237 CA SER A 66 -0.649 -10.220 -2.923 1.00 0.00 C ATOM 238 C SER A 66 -2.035 -9.868 -3.453 1.00 0.00 C ATOM 239 O SER A 66 -2.490 -10.420 -4.455 1.00 0.00 O ATOM 240 CB SER A 66 -0.798 -10.944 -1.584 1.00 0.00 C ATOM 241 OG SER A 66 -1.417 -10.074 -0.646 1.00 0.00 O ATOM 0 H SER A 66 0.013 -8.508 -1.897 1.00 0.00 H new ATOM 0 HA SER A 66 -0.145 -10.872 -3.636 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.396 -11.846 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.179 -11.258 -1.217 1.00 0.00 H new ATOM 0 HG SER A 66 -1.802 -10.601 0.085 1.00 0.00 H new ATOM 247 N LYS A 67 -2.705 -8.945 -2.768 1.00 0.00 N ATOM 248 CA LYS A 67 -4.043 -8.532 -3.181 1.00 0.00 C ATOM 249 C LYS A 67 -4.319 -7.095 -2.748 1.00 0.00 C ATOM 250 O LYS A 67 -3.825 -6.635 -1.719 1.00 0.00 O ATOM 251 CB LYS A 67 -5.099 -9.453 -2.561 1.00 0.00 C ATOM 252 CG LYS A 67 -6.477 -9.121 -3.141 1.00 0.00 C ATOM 253 CD LYS A 67 -7.414 -10.313 -2.946 1.00 0.00 C ATOM 254 CE LYS A 67 -8.529 -10.262 -3.991 1.00 0.00 C ATOM 255 NZ LYS A 67 -9.312 -11.530 -4.011 1.00 0.00 N ATOM 0 H LYS A 67 -2.350 -8.474 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.095 -8.597 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.850 -10.495 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.111 -9.332 -1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.887 -8.239 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.389 -8.884 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.857 -11.246 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.840 -10.294 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.194 -9.425 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.099 -10.082 -4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.061 -11.464 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.681 -12.324 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.742 -11.687 -3.077 1.00 0.00 H new ATOM 269 N ILE A 68 -5.120 -6.397 -3.547 1.00 0.00 N ATOM 270 CA ILE A 68 -5.468 -5.011 -3.243 1.00 0.00 C ATOM 271 C ILE A 68 -6.892 -4.936 -2.699 1.00 0.00 C ATOM 272 O ILE A 68 -7.811 -5.552 -3.239 1.00 0.00 O ATOM 273 CB ILE A 68 -5.366 -4.142 -4.499 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.991 -4.336 -5.145 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.542 -2.671 -4.120 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.996 -3.729 -6.549 1.00 0.00 C ATOM 0 H ILE A 68 -5.538 -6.763 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.768 -4.641 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.146 -4.433 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.221 -3.863 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.749 -5.397 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.469 -2.053 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.520 -2.528 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.763 -2.381 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.017 -3.867 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.755 -4.223 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.219 -2.664 -6.484 1.00 0.00 H new ATOM 288 N LEU A 69 -7.063 -4.177 -1.621 1.00 0.00 N ATOM 289 CA LEU A 69 -8.380 -4.034 -1.007 1.00 0.00 C ATOM 290 C LEU A 69 -9.042 -2.732 -1.445 1.00 0.00 C ATOM 291 O LEU A 69 -10.266 -2.649 -1.553 1.00 0.00 O ATOM 292 CB LEU A 69 -8.261 -4.044 0.519 1.00 0.00 C ATOM 293 CG LEU A 69 -7.631 -5.302 1.119 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.557 -5.161 2.639 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.486 -6.520 0.761 1.00 0.00 C ATOM 0 H LEU A 69 -6.317 -3.657 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.992 -4.875 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.671 -3.181 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.256 -3.918 0.945 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.626 -5.432 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.108 -6.058 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.949 -4.293 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.562 -5.031 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.038 -7.417 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.491 -6.390 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.539 -6.622 -0.323 1.00 0.00 H new ATOM 307 N VAL A 70 -8.222 -1.715 -1.697 1.00 0.00 N ATOM 308 CA VAL A 70 -8.747 -0.419 -2.121 1.00 0.00 C ATOM 309 C VAL A 70 -8.334 -0.117 -3.559 1.00 0.00 C ATOM 310 O VAL A 70 -7.240 -0.473 -3.997 1.00 0.00 O ATOM 311 CB VAL A 70 -8.235 0.696 -1.204 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.715 0.438 0.226 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.703 0.727 -1.226 1.00 0.00 C ATOM 0 H VAL A 70 -7.206 -1.760 -1.617 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.834 -0.463 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.619 1.654 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.352 1.230 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.805 0.421 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.331 -0.522 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.346 1.522 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.315 -0.230 -0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.357 0.911 -2.243 1.00 0.00 H new ATOM 323 N LYS A 71 -9.225 0.549 -4.287 1.00 0.00 N ATOM 324 CA LYS A 71 -8.948 0.903 -5.675 1.00 0.00 C ATOM 325 C LYS A 71 -9.412 2.328 -5.958 1.00 0.00 C ATOM 326 O LYS A 71 -10.185 2.907 -5.194 1.00 0.00 O ATOM 327 CB LYS A 71 -9.661 -0.061 -6.629 1.00 0.00 C ATOM 328 CG LYS A 71 -11.168 -0.062 -6.341 1.00 0.00 C ATOM 329 CD LYS A 71 -11.889 0.816 -7.366 1.00 0.00 C ATOM 330 CE LYS A 71 -12.108 0.019 -8.653 1.00 0.00 C ATOM 331 NZ LYS A 71 -12.203 0.917 -9.840 1.00 0.00 N ATOM 0 H LYS A 71 -10.136 0.852 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.872 0.833 -5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.480 0.236 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.259 -1.067 -6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.555 -1.080 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.356 0.309 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.846 1.151 -6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.300 1.709 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.287 -0.684 -8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.021 -0.570 -8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.115 0.767 -10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.133 1.908 -9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.428 0.704 -10.500 1.00 0.00 H new ATOM 345 N GLU A 72 -8.929 2.888 -7.064 1.00 0.00 N ATOM 346 CA GLU A 72 -9.297 4.252 -7.443 1.00 0.00 C ATOM 347 C GLU A 72 -10.812 4.375 -7.603 1.00 0.00 C ATOM 348 O GLU A 72 -11.381 3.947 -8.607 1.00 0.00 O ATOM 349 CB GLU A 72 -8.624 4.641 -8.761 1.00 0.00 C ATOM 350 CG GLU A 72 -7.109 4.709 -8.558 1.00 0.00 C ATOM 351 CD GLU A 72 -6.418 4.806 -9.915 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.347 5.903 -10.444 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.970 3.782 -10.404 1.00 0.00 O ATOM 0 H GLU A 72 -8.288 2.425 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.961 4.922 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.866 3.912 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.000 5.605 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.852 5.572 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.763 3.824 -8.024 1.00 0.00 H new ATOM 360 N GLY A 73 -11.453 4.961 -6.597 1.00 0.00 N ATOM 361 CA GLY A 73 -12.902 5.135 -6.628 1.00 0.00 C ATOM 362 C GLY A 73 -13.513 4.875 -5.252 1.00 0.00 C ATOM 363 O GLY A 73 -14.556 5.431 -4.907 1.00 0.00 O ATOM 0 H GLY A 73 -10.998 5.320 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.144 6.147 -6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.338 4.454 -7.358 1.00 0.00 H new ATOM 367 N ASP A 74 -12.852 4.024 -4.468 1.00 0.00 N ATOM 368 CA ASP A 74 -13.343 3.699 -3.131 1.00 0.00 C ATOM 369 C ASP A 74 -12.659 4.575 -2.085 1.00 0.00 C ATOM 370 O ASP A 74 -11.525 5.017 -2.269 1.00 0.00 O ATOM 371 CB ASP A 74 -13.073 2.230 -2.803 1.00 0.00 C ATOM 372 CG ASP A 74 -14.066 1.350 -3.555 1.00 0.00 C ATOM 373 OD1 ASP A 74 -15.246 1.654 -3.515 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.630 0.384 -4.161 1.00 0.00 O ATOM 0 H ASP A 74 -11.986 3.553 -4.731 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.417 3.883 -3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.053 1.966 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.163 2.063 -1.730 1.00 0.00 H new ATOM 379 N THR A 75 -13.364 4.818 -0.982 1.00 0.00 N ATOM 380 CA THR A 75 -12.817 5.641 0.093 1.00 0.00 C ATOM 381 C THR A 75 -12.247 4.760 1.199 1.00 0.00 C ATOM 382 O THR A 75 -12.743 3.663 1.458 1.00 0.00 O ATOM 383 CB THR A 75 -13.904 6.541 0.684 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.835 6.888 -0.332 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.266 7.812 1.250 1.00 0.00 C ATOM 0 H THR A 75 -14.304 4.461 -0.810 1.00 0.00 H new ATOM 0 HA THR A 75 -12.023 6.259 -0.326 1.00 0.00 H new ATOM 0 HB THR A 75 -14.420 6.009 1.484 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.533 7.463 0.046 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.042 8.452 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.553 7.545 2.030 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.748 8.345 0.453 1.00 0.00 H new ATOM 393 N VAL A 76 -11.196 5.252 1.848 1.00 0.00 N ATOM 394 CA VAL A 76 -10.560 4.502 2.927 1.00 0.00 C ATOM 395 C VAL A 76 -10.572 5.312 4.220 1.00 0.00 C ATOM 396 O VAL A 76 -10.884 6.502 4.221 1.00 0.00 O ATOM 397 CB VAL A 76 -9.112 4.167 2.566 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.092 3.191 1.388 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.373 5.449 2.177 1.00 0.00 C ATOM 0 H VAL A 76 -10.770 6.157 1.649 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.122 3.579 3.070 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.621 3.710 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.060 2.952 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.618 2.277 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.584 3.647 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.341 5.210 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.865 5.906 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.386 6.145 3.016 1.00 0.00 H new ATOM 409 N LYS A 77 -10.228 4.648 5.320 1.00 0.00 N ATOM 410 CA LYS A 77 -10.201 5.311 6.621 1.00 0.00 C ATOM 411 C LYS A 77 -8.877 5.036 7.330 1.00 0.00 C ATOM 412 O LYS A 77 -8.213 4.034 7.067 1.00 0.00 O ATOM 413 CB LYS A 77 -11.351 4.816 7.499 1.00 0.00 C ATOM 414 CG LYS A 77 -12.572 5.716 7.298 1.00 0.00 C ATOM 415 CD LYS A 77 -12.513 6.885 8.283 1.00 0.00 C ATOM 416 CE LYS A 77 -13.564 7.928 7.901 1.00 0.00 C ATOM 417 NZ LYS A 77 -14.846 7.700 8.627 1.00 0.00 N ATOM 0 H LYS A 77 -9.967 3.662 5.338 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.309 6.383 6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.600 3.786 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.051 4.821 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.597 6.090 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.487 5.144 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.691 6.529 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.520 7.334 8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.188 8.926 8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.741 7.891 6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.538 8.424 8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.216 6.757 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.680 7.760 9.652 1.00 0.00 H new ATOM 431 N ALA A 78 -8.505 5.939 8.232 1.00 0.00 N ATOM 432 CA ALA A 78 -7.258 5.790 8.978 1.00 0.00 C ATOM 433 C ALA A 78 -7.287 4.516 9.817 1.00 0.00 C ATOM 434 O ALA A 78 -7.929 4.462 10.867 1.00 0.00 O ATOM 435 CB ALA A 78 -7.038 6.990 9.900 1.00 0.00 C ATOM 0 H ALA A 78 -9.043 6.774 8.463 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.441 5.732 8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.104 6.862 10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.987 7.902 9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.866 7.063 10.606 1.00 0.00 H new ATOM 441 N GLY A 79 -6.582 3.492 9.345 1.00 0.00 N ATOM 442 CA GLY A 79 -6.532 2.220 10.061 1.00 0.00 C ATOM 443 C GLY A 79 -7.089 1.088 9.204 1.00 0.00 C ATOM 444 O GLY A 79 -6.669 -0.063 9.323 1.00 0.00 O ATOM 0 H GLY A 79 -6.043 3.516 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.503 1.996 10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.104 2.296 10.986 1.00 0.00 H new ATOM 448 N GLN A 80 -8.043 1.427 8.341 1.00 0.00 N ATOM 449 CA GLN A 80 -8.657 0.428 7.467 1.00 0.00 C ATOM 450 C GLN A 80 -7.612 -0.196 6.547 1.00 0.00 C ATOM 451 O GLN A 80 -6.695 0.475 6.078 1.00 0.00 O ATOM 452 CB GLN A 80 -9.754 1.067 6.613 1.00 0.00 C ATOM 453 CG GLN A 80 -10.707 -0.019 6.110 1.00 0.00 C ATOM 454 CD GLN A 80 -11.903 0.631 5.421 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.264 1.767 5.731 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.546 -0.029 4.497 1.00 0.00 N ATOM 0 H GLN A 80 -8.405 2.374 8.227 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.091 -0.347 8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.303 1.804 7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.311 1.596 5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.188 -0.679 5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.045 -0.635 6.943 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.247 -0.970 4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.348 0.396 4.031 1.00 0.00 H new ATOM 465 N THR A 81 -7.767 -1.494 6.295 1.00 0.00 N ATOM 466 CA THR A 81 -6.836 -2.210 5.426 1.00 0.00 C ATOM 467 C THR A 81 -6.971 -1.719 3.989 1.00 0.00 C ATOM 468 O THR A 81 -8.076 -1.484 3.499 1.00 0.00 O ATOM 469 CB THR A 81 -7.112 -3.714 5.469 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.447 -4.094 6.797 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.865 -4.477 5.018 1.00 0.00 C ATOM 0 H THR A 81 -8.520 -2.067 6.676 1.00 0.00 H new ATOM 0 HA THR A 81 -5.824 -2.019 5.783 1.00 0.00 H new ATOM 0 HB THR A 81 -7.941 -3.951 4.802 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.626 -5.057 6.826 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.063 -5.548 5.049 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.608 -4.185 4.000 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.034 -4.242 5.683 1.00 0.00 H new ATOM 479 N VAL A 82 -5.832 -1.555 3.323 1.00 0.00 N ATOM 480 CA VAL A 82 -5.834 -1.077 1.942 1.00 0.00 C ATOM 481 C VAL A 82 -5.221 -2.110 0.997 1.00 0.00 C ATOM 482 O VAL A 82 -5.629 -2.225 -0.159 1.00 0.00 O ATOM 483 CB VAL A 82 -5.041 0.225 1.829 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.758 1.331 2.606 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.641 0.021 2.414 1.00 0.00 C ATOM 0 H VAL A 82 -4.907 -1.743 3.709 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.872 -0.907 1.657 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.962 0.510 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.192 2.259 2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.756 1.478 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.838 1.046 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.074 0.949 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.723 -0.265 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.127 -0.766 1.862 1.00 0.00 H new ATOM 495 N LEU A 83 -4.231 -2.853 1.488 1.00 0.00 N ATOM 496 CA LEU A 83 -3.573 -3.857 0.653 1.00 0.00 C ATOM 497 C LEU A 83 -2.828 -4.878 1.509 1.00 0.00 C ATOM 498 O LEU A 83 -2.395 -4.582 2.623 1.00 0.00 O ATOM 499 CB LEU A 83 -2.580 -3.180 -0.296 1.00 0.00 C ATOM 500 CG LEU A 83 -1.752 -4.123 -1.178 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.514 -3.476 -2.545 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.401 -4.397 -0.508 1.00 0.00 C ATOM 0 H LEU A 83 -3.872 -2.782 2.440 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.343 -4.373 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.132 -2.498 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.896 -2.573 0.297 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.294 -5.060 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.925 -4.149 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.472 -3.280 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.975 -2.538 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.187 -5.067 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.137 -3.458 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.565 -4.861 0.465 1.00 0.00 H new ATOM 514 N VAL A 84 -2.683 -6.085 0.967 1.00 0.00 N ATOM 515 CA VAL A 84 -1.984 -7.153 1.675 1.00 0.00 C ATOM 516 C VAL A 84 -0.613 -7.387 1.045 1.00 0.00 C ATOM 517 O VAL A 84 -0.451 -7.296 -0.172 1.00 0.00 O ATOM 518 CB VAL A 84 -2.789 -8.454 1.616 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.134 -9.505 2.516 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.219 -8.192 2.098 1.00 0.00 C ATOM 0 H VAL A 84 -3.037 -6.346 0.047 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.865 -6.851 2.716 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.811 -8.819 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.709 -10.430 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.116 -9.693 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.110 -9.141 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.792 -9.118 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.196 -7.826 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.688 -7.446 1.457 1.00 0.00 H new ATOM 530 N LEU A 85 0.374 -7.689 1.886 1.00 0.00 N ATOM 531 CA LEU A 85 1.729 -7.932 1.398 1.00 0.00 C ATOM 532 C LEU A 85 2.189 -9.337 1.775 1.00 0.00 C ATOM 533 O LEU A 85 1.608 -9.984 2.646 1.00 0.00 O ATOM 534 CB LEU A 85 2.702 -6.907 1.987 1.00 0.00 C ATOM 535 CG LEU A 85 2.825 -5.597 1.203 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.623 -4.580 2.024 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.547 -5.863 -0.120 1.00 0.00 C ATOM 0 H LEU A 85 0.263 -7.771 2.897 1.00 0.00 H new ATOM 0 HA LEU A 85 1.719 -7.836 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.387 -6.674 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.689 -7.365 2.055 1.00 0.00 H new ATOM 0 HG LEU A 85 1.830 -5.199 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.710 -3.648 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.110 -4.391 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.618 -4.976 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.636 -4.932 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.541 -6.261 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.979 -6.586 -0.706 1.00 0.00 H new ATOM 549 N GLU A 86 3.242 -9.801 1.104 1.00 0.00 N ATOM 550 CA GLU A 86 3.778 -11.134 1.372 1.00 0.00 C ATOM 551 C GLU A 86 5.296 -11.082 1.500 1.00 0.00 C ATOM 552 O GLU A 86 6.016 -10.986 0.504 1.00 0.00 O ATOM 553 CB GLU A 86 3.406 -12.097 0.242 1.00 0.00 C ATOM 554 CG GLU A 86 2.035 -12.712 0.525 1.00 0.00 C ATOM 555 CD GLU A 86 2.200 -13.932 1.424 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.935 -13.835 2.393 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.589 -14.947 1.131 1.00 0.00 O ATOM 0 H GLU A 86 3.736 -9.281 0.379 1.00 0.00 H new ATOM 0 HA GLU A 86 3.347 -11.488 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.389 -11.567 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.158 -12.882 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.388 -11.978 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.553 -12.999 -0.410 1.00 0.00 H new ATOM 630 N GLU A 91 2.082 -13.340 5.492 1.00 0.00 N ATOM 631 CA GLU A 91 1.248 -12.286 4.921 1.00 0.00 C ATOM 632 C GLU A 91 1.187 -11.083 5.858 1.00 0.00 C ATOM 633 O GLU A 91 0.928 -11.219 7.053 1.00 0.00 O ATOM 634 CB GLU A 91 -0.173 -12.803 4.680 1.00 0.00 C ATOM 635 CG GLU A 91 -0.179 -13.726 3.459 1.00 0.00 C ATOM 636 CD GLU A 91 -1.366 -14.680 3.547 1.00 0.00 C ATOM 637 OE1 GLU A 91 -1.493 -15.344 4.562 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.128 -14.734 2.596 1.00 0.00 O ATOM 0 HA GLU A 91 1.692 -11.983 3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.530 -13.341 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.854 -11.967 4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.240 -13.136 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.752 -14.291 3.412 1.00 0.00 H new ATOM 645 N THR A 92 1.430 -9.900 5.298 1.00 0.00 N ATOM 646 CA THR A 92 1.402 -8.672 6.088 1.00 0.00 C ATOM 647 C THR A 92 0.277 -7.759 5.607 1.00 0.00 C ATOM 648 O THR A 92 0.253 -7.335 4.453 1.00 0.00 O ATOM 649 CB THR A 92 2.734 -7.929 5.969 1.00 0.00 C ATOM 650 OG1 THR A 92 3.803 -8.863 6.039 1.00 0.00 O ATOM 651 CG2 THR A 92 2.863 -6.920 7.112 1.00 0.00 C ATOM 0 H THR A 92 1.646 -9.766 4.310 1.00 0.00 H new ATOM 0 HA THR A 92 1.231 -8.943 7.130 1.00 0.00 H new ATOM 0 HB THR A 92 2.771 -7.402 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.657 -8.389 5.961 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.812 -6.392 7.026 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.043 -6.204 7.059 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.825 -7.445 8.067 1.00 0.00 H new ATOM 659 N GLU A 93 -0.655 -7.464 6.509 1.00 0.00 N ATOM 660 CA GLU A 93 -1.785 -6.603 6.170 1.00 0.00 C ATOM 661 C GLU A 93 -1.389 -5.133 6.268 1.00 0.00 C ATOM 662 O GLU A 93 -0.808 -4.695 7.261 1.00 0.00 O ATOM 663 CB GLU A 93 -2.959 -6.864 7.116 1.00 0.00 C ATOM 664 CG GLU A 93 -3.295 -8.357 7.112 1.00 0.00 C ATOM 665 CD GLU A 93 -4.163 -8.687 8.321 1.00 0.00 C ATOM 666 OE1 GLU A 93 -3.723 -8.432 9.430 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.257 -9.190 8.122 1.00 0.00 O ATOM 0 H GLU A 93 -0.652 -7.804 7.471 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.083 -6.831 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.706 -6.540 8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.827 -6.284 6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.818 -8.620 6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.379 -8.947 7.137 1.00 0.00 H new ATOM 674 N ILE A 94 -1.714 -4.374 5.224 1.00 0.00 N ATOM 675 CA ILE A 94 -1.393 -2.948 5.198 1.00 0.00 C ATOM 676 C ILE A 94 -2.656 -2.122 5.426 1.00 0.00 C ATOM 677 O ILE A 94 -3.754 -2.526 5.045 1.00 0.00 O ATOM 678 CB ILE A 94 -0.778 -2.552 3.849 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.337 -3.542 3.462 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.198 -1.137 3.946 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.439 -3.549 4.528 1.00 0.00 C ATOM 0 H ILE A 94 -2.195 -4.717 4.392 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.672 -2.752 5.992 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.554 -2.577 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.079 -4.544 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.759 -3.265 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.239 -0.856 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.992 -0.435 4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.572 -1.112 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.219 -4.253 4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.866 -2.550 4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.016 -3.848 5.487 1.00 0.00 H new ATOM 693 N ASN A 95 -2.487 -0.962 6.053 1.00 0.00 N ATOM 694 CA ASN A 95 -3.624 -0.086 6.329 1.00 0.00 C ATOM 695 C ASN A 95 -3.265 1.366 6.035 1.00 0.00 C ATOM 696 O ASN A 95 -2.107 1.770 6.143 1.00 0.00 O ATOM 697 CB ASN A 95 -4.054 -0.206 7.792 1.00 0.00 C ATOM 698 CG ASN A 95 -2.851 0.031 8.698 1.00 0.00 C ATOM 699 OD1 ASN A 95 -2.740 1.080 9.331 1.00 0.00 O ATOM 700 ND2 ASN A 95 -1.936 -0.893 8.800 1.00 0.00 N ATOM 0 H ASN A 95 -1.587 -0.609 6.377 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.446 -0.395 5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.837 0.520 8.012 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.474 -1.194 7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.128 -0.746 9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.029 -1.763 8.275 1.00 0.00 H new ATOM 707 N ALA A 96 -4.275 2.147 5.665 1.00 0.00 N ATOM 708 CA ALA A 96 -4.063 3.557 5.356 1.00 0.00 C ATOM 709 C ALA A 96 -3.606 4.312 6.608 1.00 0.00 C ATOM 710 O ALA A 96 -4.041 4.002 7.717 1.00 0.00 O ATOM 711 CB ALA A 96 -5.355 4.188 4.834 1.00 0.00 C ATOM 0 H ALA A 96 -5.240 1.831 5.572 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.292 3.625 4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.181 5.240 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.673 3.670 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.133 4.104 5.593 1.00 0.00 H new ATOM 717 N PRO A 97 -2.726 5.310 6.448 1.00 0.00 N ATOM 718 CA PRO A 97 -2.222 6.099 7.583 1.00 0.00 C ATOM 719 C PRO A 97 -3.267 7.075 8.118 1.00 0.00 C ATOM 720 O PRO A 97 -3.337 7.337 9.318 1.00 0.00 O ATOM 721 CB PRO A 97 -1.033 6.860 7.004 1.00 0.00 C ATOM 722 CG PRO A 97 -1.302 6.954 5.541 1.00 0.00 C ATOM 723 CD PRO A 97 -2.142 5.763 5.172 1.00 0.00 C ATOM 0 HA PRO A 97 -1.960 5.463 8.429 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.943 7.850 7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.097 6.336 7.199 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.822 7.882 5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.369 6.958 4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.917 6.032 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.539 4.980 4.712 1.00 0.00 H new ATOM 731 N THR A 98 -4.079 7.608 7.210 1.00 0.00 N ATOM 732 CA THR A 98 -5.122 8.555 7.596 1.00 0.00 C ATOM 733 C THR A 98 -6.352 8.380 6.711 1.00 0.00 C ATOM 734 O THR A 98 -6.304 7.705 5.683 1.00 0.00 O ATOM 735 CB THR A 98 -4.615 9.993 7.466 1.00 0.00 C ATOM 736 OG1 THR A 98 -4.065 10.184 6.169 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.540 10.255 8.522 1.00 0.00 C ATOM 0 H THR A 98 -4.037 7.404 6.212 1.00 0.00 H new ATOM 0 HA THR A 98 -5.389 8.358 8.634 1.00 0.00 H new ATOM 0 HB THR A 98 -5.443 10.686 7.616 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.741 11.105 6.083 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.180 11.279 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.963 10.109 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.710 9.564 8.376 1.00 0.00 H new ATOM 745 N ASP A 99 -7.455 8.997 7.123 1.00 0.00 N ATOM 746 CA ASP A 99 -8.696 8.905 6.361 1.00 0.00 C ATOM 747 C ASP A 99 -8.565 9.655 5.039 1.00 0.00 C ATOM 748 O ASP A 99 -7.929 10.706 4.966 1.00 0.00 O ATOM 749 CB ASP A 99 -9.862 9.497 7.155 1.00 0.00 C ATOM 750 CG ASP A 99 -9.508 10.910 7.605 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.676 11.823 6.813 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.073 11.060 8.735 1.00 0.00 O ATOM 0 H ASP A 99 -7.516 9.560 7.971 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.891 7.851 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.762 9.515 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.080 8.872 8.021 1.00 0.00 H new ATOM 757 N GLY A 100 -9.173 9.100 3.995 1.00 0.00 N ATOM 758 CA GLY A 100 -9.119 9.723 2.676 1.00 0.00 C ATOM 759 C GLY A 100 -9.676 8.786 1.611 1.00 0.00 C ATOM 760 O GLY A 100 -10.413 7.846 1.912 1.00 0.00 O ATOM 0 H GLY A 100 -9.703 8.230 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.690 10.652 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.089 9.984 2.434 1.00 0.00 H new ATOM 764 N LYS A 101 -9.315 9.053 0.359 1.00 0.00 N ATOM 765 CA LYS A 101 -9.783 8.227 -0.751 1.00 0.00 C ATOM 766 C LYS A 101 -8.623 7.871 -1.675 1.00 0.00 C ATOM 767 O LYS A 101 -7.668 8.634 -1.821 1.00 0.00 O ATOM 768 CB LYS A 101 -10.850 8.971 -1.557 1.00 0.00 C ATOM 769 CG LYS A 101 -11.477 8.019 -2.577 1.00 0.00 C ATOM 770 CD LYS A 101 -12.491 8.782 -3.433 1.00 0.00 C ATOM 771 CE LYS A 101 -13.320 7.789 -4.247 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.405 8.477 -5.003 1.00 0.00 N ATOM 0 H LYS A 101 -8.707 9.826 0.089 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.211 7.315 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.618 9.362 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.405 9.826 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.703 7.587 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.968 7.192 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.143 9.381 -2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.974 9.473 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.672 7.256 -4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.755 7.044 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.949 7.776 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.037 8.965 -4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.987 9.171 -5.656 1.00 0.00 H new ATOM 786 N VAL A 102 -8.719 6.699 -2.298 1.00 0.00 N ATOM 787 CA VAL A 102 -7.672 6.245 -3.211 1.00 0.00 C ATOM 788 C VAL A 102 -7.756 7.003 -4.532 1.00 0.00 C ATOM 789 O VAL A 102 -8.654 6.772 -5.341 1.00 0.00 O ATOM 790 CB VAL A 102 -7.812 4.745 -3.482 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.605 4.253 -4.284 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.880 3.988 -2.153 1.00 0.00 C ATOM 0 H VAL A 102 -9.501 6.053 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.707 6.438 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.724 4.566 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.707 3.185 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.555 4.789 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.692 4.434 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.980 2.920 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.968 4.170 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.740 4.334 -1.581 1.00 0.00 H new ATOM 802 N GLU A 103 -6.807 7.912 -4.739 1.00 0.00 N ATOM 803 CA GLU A 103 -6.780 8.702 -5.968 1.00 0.00 C ATOM 804 C GLU A 103 -5.895 8.037 -7.018 1.00 0.00 C ATOM 805 O GLU A 103 -6.125 8.173 -8.218 1.00 0.00 O ATOM 806 CB GLU A 103 -6.254 10.114 -5.690 1.00 0.00 C ATOM 807 CG GLU A 103 -4.901 10.030 -4.977 1.00 0.00 C ATOM 808 CD GLU A 103 -4.219 11.393 -5.020 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.504 11.645 -5.976 1.00 0.00 O ATOM 810 OE2 GLU A 103 -4.420 12.164 -4.097 1.00 0.00 O ATOM 0 H GLU A 103 -6.055 8.119 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.801 8.764 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.150 10.664 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.967 10.663 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.042 9.714 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.271 9.281 -5.456 1.00 0.00 H new ATOM 817 N LYS A 104 -4.877 7.316 -6.552 1.00 0.00 N ATOM 818 CA LYS A 104 -3.962 6.633 -7.463 1.00 0.00 C ATOM 819 C LYS A 104 -3.257 5.485 -6.749 1.00 0.00 C ATOM 820 O LYS A 104 -2.673 5.665 -5.681 1.00 0.00 O ATOM 821 CB LYS A 104 -2.911 7.609 -7.997 1.00 0.00 C ATOM 822 CG LYS A 104 -2.174 6.970 -9.175 1.00 0.00 C ATOM 823 CD LYS A 104 -0.769 7.568 -9.284 1.00 0.00 C ATOM 824 CE LYS A 104 -0.356 7.639 -10.755 1.00 0.00 C ATOM 825 NZ LYS A 104 0.528 8.811 -11.014 1.00 0.00 N ATOM 0 H LYS A 104 -4.667 7.191 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.547 6.239 -8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.388 8.537 -8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.204 7.866 -7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.112 5.891 -9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.726 7.141 -10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.751 8.564 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.059 6.959 -8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.162 6.721 -11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.245 7.706 -11.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.791 8.832 -12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.023 9.687 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.387 8.733 -10.433 1.00 0.00 H new ATOM 839 N VAL A 105 -3.318 4.303 -7.353 1.00 0.00 N ATOM 840 CA VAL A 105 -2.680 3.126 -6.769 1.00 0.00 C ATOM 841 C VAL A 105 -1.346 2.850 -7.457 1.00 0.00 C ATOM 842 O VAL A 105 -1.303 2.458 -8.624 1.00 0.00 O ATOM 843 CB VAL A 105 -3.579 1.894 -6.914 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.993 0.729 -6.110 1.00 0.00 C ATOM 845 CG2 VAL A 105 -4.982 2.219 -6.390 1.00 0.00 C ATOM 0 H VAL A 105 -3.797 4.134 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.513 3.327 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.638 1.614 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.635 -0.145 -6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.996 0.494 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.930 1.008 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.621 1.342 -6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.921 2.502 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.403 3.044 -6.964 1.00 0.00 H new ATOM 855 N LEU A 106 -0.257 3.060 -6.721 1.00 0.00 N ATOM 856 CA LEU A 106 1.084 2.834 -7.265 1.00 0.00 C ATOM 857 C LEU A 106 1.559 1.396 -7.022 1.00 0.00 C ATOM 858 O LEU A 106 2.759 1.147 -6.899 1.00 0.00 O ATOM 859 CB LEU A 106 2.085 3.797 -6.628 1.00 0.00 C ATOM 860 CG LEU A 106 1.716 5.279 -6.716 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.401 6.045 -5.583 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.178 5.840 -8.062 1.00 0.00 C ATOM 0 H LEU A 106 -0.274 3.384 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 106 1.028 3.008 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.202 3.531 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.055 3.653 -7.103 1.00 0.00 H new ATOM 0 HG LEU A 106 0.635 5.389 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.138 7.101 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.072 5.646 -4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.482 5.935 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.915 6.896 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.259 5.729 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.690 5.295 -8.870 1.00 0.00 H new ATOM 874 N VAL A 107 0.621 0.455 -6.956 1.00 0.00 N ATOM 875 CA VAL A 107 0.975 -0.943 -6.728 1.00 0.00 C ATOM 876 C VAL A 107 -0.110 -1.861 -7.278 1.00 0.00 C ATOM 877 O VAL A 107 -1.301 -1.563 -7.186 1.00 0.00 O ATOM 878 CB VAL A 107 1.145 -1.217 -5.232 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.359 -0.451 -4.705 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.110 -0.761 -4.485 1.00 0.00 C ATOM 0 H VAL A 107 -0.379 0.632 -7.056 1.00 0.00 H new ATOM 0 HA VAL A 107 1.916 -1.139 -7.242 1.00 0.00 H new ATOM 0 HB VAL A 107 1.295 -2.285 -5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.479 -0.647 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.253 -0.776 -5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.212 0.617 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.010 -0.956 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.260 0.307 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.975 -1.309 -4.859 1.00 0.00 H new ATOM 890 N LYS A 108 0.315 -2.982 -7.852 1.00 0.00 N ATOM 891 CA LYS A 108 -0.629 -3.942 -8.416 1.00 0.00 C ATOM 892 C LYS A 108 -0.392 -5.328 -7.828 1.00 0.00 C ATOM 893 O LYS A 108 0.547 -5.540 -7.061 1.00 0.00 O ATOM 894 CB LYS A 108 -0.476 -4.014 -9.937 1.00 0.00 C ATOM 895 CG LYS A 108 -0.979 -2.712 -10.565 1.00 0.00 C ATOM 896 CD LYS A 108 -2.443 -2.877 -10.982 1.00 0.00 C ATOM 897 CE LYS A 108 -2.737 -1.971 -12.179 1.00 0.00 C ATOM 898 NZ LYS A 108 -4.187 -1.633 -12.263 1.00 0.00 N ATOM 0 H LYS A 108 1.296 -3.247 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.637 -3.608 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.569 -4.177 -10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.039 -4.861 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.883 -1.892 -9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.370 -2.455 -11.432 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.644 -3.917 -11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.100 -2.623 -10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.153 -1.055 -12.096 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.424 -2.467 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.353 -1.018 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.742 -2.507 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.479 -1.139 -11.396 1.00 0.00 H new ATOM 912 N GLU A 109 -1.255 -6.270 -8.195 1.00 0.00 N ATOM 913 CA GLU A 109 -1.131 -7.637 -7.699 1.00 0.00 C ATOM 914 C GLU A 109 0.047 -8.339 -8.365 1.00 0.00 C ATOM 915 O GLU A 109 0.380 -8.066 -9.518 1.00 0.00 O ATOM 916 CB GLU A 109 -2.409 -8.428 -7.981 1.00 0.00 C ATOM 917 CG GLU A 109 -3.543 -7.898 -7.103 1.00 0.00 C ATOM 918 CD GLU A 109 -4.628 -8.962 -6.972 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.279 -10.129 -6.906 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.790 -8.595 -6.940 1.00 0.00 O ATOM 0 H GLU A 109 -2.040 -6.115 -8.827 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.965 -7.591 -6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.679 -8.340 -9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.245 -9.487 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.160 -7.632 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.960 -6.990 -7.539 1.00 0.00 H new ATOM 927 N ARG A 110 0.675 -9.250 -7.624 1.00 0.00 N ATOM 928 CA ARG A 110 1.819 -9.993 -8.146 1.00 0.00 C ATOM 929 C ARG A 110 2.961 -9.043 -8.497 1.00 0.00 C ATOM 930 O ARG A 110 3.708 -9.269 -9.448 1.00 0.00 O ATOM 931 CB ARG A 110 1.423 -10.783 -9.398 1.00 0.00 C ATOM 932 CG ARG A 110 2.317 -12.018 -9.526 1.00 0.00 C ATOM 933 CD ARG A 110 1.809 -13.115 -8.590 1.00 0.00 C ATOM 934 NE ARG A 110 2.491 -13.048 -7.300 1.00 0.00 N ATOM 935 CZ ARG A 110 3.639 -13.689 -7.097 1.00 0.00 C ATOM 936 NH1 ARG A 110 3.645 -14.985 -6.950 1.00 0.00 N ATOM 937 NH2 ARG A 110 4.759 -13.020 -7.045 1.00 0.00 N ATOM 0 H ARG A 110 0.413 -9.490 -6.668 1.00 0.00 H new ATOM 0 HA ARG A 110 2.149 -10.685 -7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.377 -11.083 -9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.523 -10.155 -10.284 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.317 -12.375 -10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.347 -11.762 -9.278 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.734 -13.008 -8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.973 -14.092 -9.044 1.00 0.00 H new ATOM 0 HE ARG A 110 2.081 -12.501 -6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.770 -15.507 -6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.525 -15.477 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.753 -12.007 -7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.639 -13.511 -6.889 1.00 0.00 H new ATOM 951 N ASP A 111 3.088 -7.975 -7.713 1.00 0.00 N ATOM 952 CA ASP A 111 4.145 -6.994 -7.945 1.00 0.00 C ATOM 953 C ASP A 111 5.007 -6.839 -6.697 1.00 0.00 C ATOM 954 O ASP A 111 4.535 -7.009 -5.573 1.00 0.00 O ATOM 955 CB ASP A 111 3.546 -5.634 -8.310 1.00 0.00 C ATOM 956 CG ASP A 111 3.074 -5.660 -9.761 1.00 0.00 C ATOM 957 OD1 ASP A 111 2.025 -6.229 -10.012 1.00 0.00 O ATOM 958 OD2 ASP A 111 3.769 -5.109 -10.598 1.00 0.00 O ATOM 0 H ASP A 111 2.480 -7.768 -6.921 1.00 0.00 H new ATOM 0 HA ASP A 111 4.760 -7.351 -8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.711 -5.403 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.289 -4.848 -8.172 1.00 0.00 H new ATOM 963 N ALA A 112 6.279 -6.514 -6.908 1.00 0.00 N ATOM 964 CA ALA A 112 7.205 -6.338 -5.793 1.00 0.00 C ATOM 965 C ALA A 112 7.223 -4.883 -5.337 1.00 0.00 C ATOM 966 O ALA A 112 7.280 -3.961 -6.152 1.00 0.00 O ATOM 967 CB ALA A 112 8.621 -6.749 -6.202 1.00 0.00 C ATOM 0 H ALA A 112 6.689 -6.368 -7.830 1.00 0.00 H new ATOM 0 HA ALA A 112 6.866 -6.971 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.298 -6.611 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.623 -7.797 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.952 -6.132 -7.037 1.00 0.00 H new ATOM 973 N VAL A 113 7.178 -4.688 -4.023 1.00 0.00 N ATOM 974 CA VAL A 113 7.191 -3.342 -3.458 1.00 0.00 C ATOM 975 C VAL A 113 8.385 -3.172 -2.525 1.00 0.00 C ATOM 976 O VAL A 113 8.862 -4.134 -1.923 1.00 0.00 O ATOM 977 CB VAL A 113 5.902 -3.076 -2.677 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.712 -3.080 -3.639 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.708 -4.171 -1.625 1.00 0.00 C ATOM 0 H VAL A 113 7.133 -5.438 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 113 7.267 -2.630 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 113 5.970 -2.106 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.794 -2.891 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.849 -2.302 -4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.645 -4.051 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.790 -3.982 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.641 -5.141 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.555 -4.171 -0.939 1.00 0.00 H new ATOM 989 N GLN A 114 8.862 -1.936 -2.409 1.00 0.00 N ATOM 990 CA GLN A 114 10.003 -1.651 -1.544 1.00 0.00 C ATOM 991 C GLN A 114 9.527 -1.104 -0.202 1.00 0.00 C ATOM 992 O GLN A 114 8.586 -0.314 -0.135 1.00 0.00 O ATOM 993 CB GLN A 114 10.931 -0.628 -2.202 1.00 0.00 C ATOM 994 CG GLN A 114 11.968 -1.354 -3.059 1.00 0.00 C ATOM 995 CD GLN A 114 13.218 -0.492 -3.188 1.00 0.00 C ATOM 996 OE1 GLN A 114 14.077 -0.498 -2.306 1.00 0.00 O ATOM 997 NE2 GLN A 114 13.373 0.258 -4.244 1.00 0.00 N ATOM 0 H GLN A 114 8.482 -1.125 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 114 10.548 -2.582 -1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.352 0.060 -2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.429 -0.030 -1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.221 -2.313 -2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.556 -1.565 -4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.661 0.263 -4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.206 0.839 -4.339 1.00 0.00 H new ATOM 1006 N GLY A 115 10.191 -1.537 0.869 1.00 0.00 N ATOM 1007 CA GLY A 115 9.831 -1.086 2.212 1.00 0.00 C ATOM 1008 C GLY A 115 9.945 0.430 2.325 1.00 0.00 C ATOM 1009 O GLY A 115 11.043 0.986 2.334 1.00 0.00 O ATOM 0 H GLY A 115 10.972 -2.192 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.812 -1.396 2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.483 -1.560 2.946 1.00 0.00 H new ATOM 1013 N GLY A 116 8.796 1.092 2.404 1.00 0.00 N ATOM 1014 CA GLY A 116 8.774 2.548 2.511 1.00 0.00 C ATOM 1015 C GLY A 116 8.253 3.182 1.222 1.00 0.00 C ATOM 1016 O GLY A 116 7.706 4.286 1.237 1.00 0.00 O ATOM 0 H GLY A 116 7.876 0.651 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.143 2.846 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.778 2.916 2.722 1.00 0.00 H new ATOM 1020 N GLN A 117 8.429 2.475 0.105 1.00 0.00 N ATOM 1021 CA GLN A 117 7.973 2.980 -1.190 1.00 0.00 C ATOM 1022 C GLN A 117 6.474 3.268 -1.164 1.00 0.00 C ATOM 1023 O GLN A 117 5.703 2.570 -0.505 1.00 0.00 O ATOM 1024 CB GLN A 117 8.264 1.964 -2.295 1.00 0.00 C ATOM 1025 CG GLN A 117 8.136 2.642 -3.660 1.00 0.00 C ATOM 1026 CD GLN A 117 8.254 1.596 -4.763 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.327 1.034 -4.982 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.204 1.299 -5.478 1.00 0.00 N ATOM 0 H GLN A 117 8.879 1.560 0.070 1.00 0.00 H new ATOM 0 HA GLN A 117 8.513 3.905 -1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.267 1.556 -2.173 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.569 1.127 -2.226 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.178 3.156 -3.734 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.913 3.397 -3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.315 1.765 -5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.272 0.601 -6.219 1.00 0.00 H new ATOM 1037 N GLY A 118 6.072 4.309 -1.888 1.00 0.00 N ATOM 1038 CA GLY A 118 4.663 4.690 -1.943 1.00 0.00 C ATOM 1039 C GLY A 118 3.821 3.575 -2.550 1.00 0.00 C ATOM 1040 O GLY A 118 4.005 3.194 -3.706 1.00 0.00 O ATOM 0 H GLY A 118 6.695 4.899 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.304 4.917 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.551 5.599 -2.534 1.00 0.00 H new ATOM 1044 N LEU A 119 2.888 3.059 -1.754 1.00 0.00 N ATOM 1045 CA LEU A 119 2.012 1.988 -2.217 1.00 0.00 C ATOM 1046 C LEU A 119 0.776 2.574 -2.892 1.00 0.00 C ATOM 1047 O LEU A 119 0.463 2.252 -4.038 1.00 0.00 O ATOM 1048 CB LEU A 119 1.574 1.108 -1.046 1.00 0.00 C ATOM 1049 CG LEU A 119 2.703 0.364 -0.328 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.146 -0.333 0.915 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.304 -0.681 -1.271 1.00 0.00 C ATOM 0 H LEU A 119 2.720 3.362 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 119 2.567 1.382 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.053 1.731 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.854 0.376 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 119 3.475 1.074 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.950 -0.863 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.716 0.410 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.374 -1.044 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.108 -1.212 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.532 -1.391 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.701 -0.186 -2.157 1.00 0.00 H new ATOM 1063 N ILE A 120 0.079 3.443 -2.166 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.124 4.078 -2.701 1.00 0.00 C ATOM 1065 C ILE A 120 -1.213 5.523 -2.221 1.00 0.00 C ATOM 1066 O ILE A 120 -0.754 5.858 -1.130 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.381 3.327 -2.257 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.228 1.835 -2.565 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.593 3.879 -3.011 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.428 1.067 -2.005 1.00 0.00 C ATOM 0 H ILE A 120 0.322 3.722 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.060 4.053 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.522 3.461 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.156 1.682 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.305 1.456 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.490 3.346 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.706 4.941 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.447 3.744 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.316 0.006 -2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.480 1.209 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.344 1.438 -2.464 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.810 6.376 -3.049 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.956 7.785 -2.696 1.00 0.00 C ATOM 1084 C LYS A 121 -3.343 8.045 -2.117 1.00 0.00 C ATOM 1085 O LYS A 121 -4.356 7.653 -2.695 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.753 8.673 -3.926 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.595 10.129 -3.481 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.843 10.915 -4.556 1.00 0.00 C ATOM 1089 CE LYS A 121 -0.626 12.351 -4.076 1.00 0.00 C ATOM 1090 NZ LYS A 121 -0.421 13.284 -5.221 1.00 0.00 N ATOM 0 H LYS A 121 -2.196 6.121 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.198 8.025 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.870 8.352 -4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.603 8.578 -4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -2.574 10.575 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -1.053 10.174 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.116 10.441 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.410 10.913 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.487 12.674 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.240 12.388 -3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.277 14.249 -4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.415 12.989 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.258 13.266 -5.838 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.375 8.709 -0.966 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.643 9.016 -0.310 1.00 0.00 C ATOM 1106 C ILE A 122 -4.958 10.504 -0.430 1.00 0.00 C ATOM 1107 O ILE A 122 -4.064 11.349 -0.388 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.588 8.633 1.173 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.103 7.181 1.319 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.981 8.777 1.794 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -5.053 6.220 0.592 1.00 0.00 C ATOM 0 H ILE A 122 -2.547 9.042 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.425 8.439 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.893 9.296 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.097 7.085 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -4.045 6.915 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.939 8.504 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.317 9.810 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.680 8.120 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.694 5.197 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -6.052 6.303 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.089 6.476 -0.467 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.243 10.811 -0.577 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.676 12.201 -0.702 1.00 0.00 C ATOM 1125 C GLY A 123 -8.057 12.281 -1.344 1.00 0.00 C ATOM 1126 O GLY A 123 -8.142 12.759 -2.463 1.00 0.00 O ATOM 1127 OXT GLY A 123 -9.010 11.864 -0.706 1.00 0.00 O ATOM 0 H GLY A 123 -6.997 10.125 -0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.699 12.669 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.957 12.758 -1.303 1.00 0.00 H new