USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=8 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 -103:sc= 0.249 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 81 THR OG1 : rot 180:sc= 0.00719 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.8!) 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+ 172:sc= 0 (180deg=-0.0839) 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=-0.44) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000623) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.402 9.431 -0.565 1.00 0.00 N ATOM 99 CA GLU A 56 1.605 8.010 -0.829 1.00 0.00 C ATOM 100 C GLU A 56 1.870 7.261 0.473 1.00 0.00 C ATOM 101 O GLU A 56 2.693 7.676 1.288 1.00 0.00 O ATOM 102 CB GLU A 56 2.789 7.801 -1.773 1.00 0.00 C ATOM 103 CG GLU A 56 2.599 8.652 -3.030 1.00 0.00 C ATOM 104 CD GLU A 56 3.907 8.706 -3.811 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.177 7.768 -4.543 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.621 9.685 -3.666 1.00 0.00 O ATOM 0 HA GLU A 56 0.699 7.623 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.718 8.075 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.870 6.748 -2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.809 8.230 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.285 9.659 -2.756 1.00 0.00 H new ATOM 113 N ILE A 57 1.163 6.150 0.656 1.00 0.00 N ATOM 114 CA ILE A 57 1.327 5.343 1.864 1.00 0.00 C ATOM 115 C ILE A 57 2.583 4.471 1.750 1.00 0.00 C ATOM 116 O ILE A 57 2.624 3.544 0.940 1.00 0.00 O ATOM 117 CB ILE A 57 0.111 4.436 2.069 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.168 5.277 2.026 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.214 3.742 3.430 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.387 4.353 1.991 1.00 0.00 C ATOM 0 H ILE A 57 0.478 5.789 -0.008 1.00 0.00 H new ATOM 0 HA ILE A 57 1.424 6.018 2.714 1.00 0.00 H new ATOM 0 HB ILE A 57 0.082 3.687 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.217 5.928 2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.162 5.922 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.652 3.096 3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.124 3.142 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.244 4.493 4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.297 4.952 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.339 3.721 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.395 3.727 2.883 1.00 0.00 H new ATOM 132 N PRO A 58 3.625 4.749 2.551 1.00 0.00 N ATOM 133 CA PRO A 58 4.871 3.967 2.510 1.00 0.00 C ATOM 134 C PRO A 58 4.696 2.568 3.095 1.00 0.00 C ATOM 135 O PRO A 58 3.986 2.374 4.081 1.00 0.00 O ATOM 136 CB PRO A 58 5.845 4.780 3.358 1.00 0.00 C ATOM 137 CG PRO A 58 4.986 5.571 4.283 1.00 0.00 C ATOM 138 CD PRO A 58 3.697 5.826 3.557 1.00 0.00 C ATOM 0 HA PRO A 58 5.213 3.811 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.525 4.131 3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.460 5.431 2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.808 5.024 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.470 6.509 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.845 5.793 4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.693 6.810 3.087 1.00 0.00 H new ATOM 146 N ALA A 59 5.354 1.593 2.474 1.00 0.00 N ATOM 147 CA ALA A 59 5.267 0.211 2.938 1.00 0.00 C ATOM 148 C ALA A 59 6.135 0.014 4.185 1.00 0.00 C ATOM 149 O ALA A 59 7.203 0.612 4.303 1.00 0.00 O ATOM 150 CB ALA A 59 5.735 -0.752 1.847 1.00 0.00 C ATOM 0 H ALA A 59 5.948 1.731 1.656 1.00 0.00 H new ATOM 0 HA ALA A 59 4.225 0.001 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.663 -1.777 2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.106 -0.635 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.770 -0.531 1.586 1.00 0.00 H new ATOM 156 N PRO A 60 5.688 -0.827 5.128 1.00 0.00 N ATOM 157 CA PRO A 60 6.442 -1.091 6.364 1.00 0.00 C ATOM 158 C PRO A 60 7.682 -1.953 6.126 1.00 0.00 C ATOM 159 O PRO A 60 8.623 -1.939 6.919 1.00 0.00 O ATOM 160 CB PRO A 60 5.445 -1.830 7.253 1.00 0.00 C ATOM 161 CG PRO A 60 4.479 -2.464 6.312 1.00 0.00 C ATOM 162 CD PRO A 60 4.427 -1.594 5.089 1.00 0.00 C ATOM 0 HA PRO A 60 6.819 -0.167 6.803 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.945 -2.578 7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.940 -1.144 7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.797 -3.474 6.054 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.493 -2.547 6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.353 -2.191 4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.560 -0.934 5.108 1.00 0.00 H new ATOM 170 N LEU A 61 7.673 -2.705 5.027 1.00 0.00 N ATOM 171 CA LEU A 61 8.803 -3.570 4.702 1.00 0.00 C ATOM 172 C LEU A 61 8.767 -3.963 3.229 1.00 0.00 C ATOM 173 O LEU A 61 7.767 -3.761 2.541 1.00 0.00 O ATOM 174 CB LEU A 61 8.769 -4.838 5.557 1.00 0.00 C ATOM 175 CG LEU A 61 7.417 -5.552 5.619 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.322 -6.567 4.479 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.286 -6.279 6.960 1.00 0.00 C ATOM 0 H LEU A 61 6.906 -2.733 4.355 1.00 0.00 H new ATOM 0 HA LEU A 61 9.720 -3.018 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.512 -5.536 5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.071 -4.580 6.572 1.00 0.00 H new ATOM 0 HG LEU A 61 6.615 -4.820 5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.359 -7.075 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.416 -6.051 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.123 -7.299 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.323 -6.788 7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.088 -7.011 7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.353 -5.557 7.774 1.00 0.00 H new ATOM 189 N ALA A 62 9.873 -4.529 2.752 1.00 0.00 N ATOM 190 CA ALA A 62 9.963 -4.949 1.358 1.00 0.00 C ATOM 191 C ALA A 62 9.406 -6.360 1.189 1.00 0.00 C ATOM 192 O ALA A 62 9.902 -7.315 1.787 1.00 0.00 O ATOM 193 CB ALA A 62 11.417 -4.928 0.883 1.00 0.00 C ATOM 0 H ALA A 62 10.712 -4.706 3.305 1.00 0.00 H new ATOM 0 HA ALA A 62 9.377 -4.252 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.464 -5.244 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.815 -3.917 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.010 -5.607 1.495 1.00 0.00 H new ATOM 199 N GLY A 63 8.369 -6.478 0.365 1.00 0.00 N ATOM 200 CA GLY A 63 7.748 -7.777 0.119 1.00 0.00 C ATOM 201 C GLY A 63 7.113 -7.816 -1.267 1.00 0.00 C ATOM 202 O GLY A 63 7.660 -7.279 -2.230 1.00 0.00 O ATOM 0 H GLY A 63 7.944 -5.700 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.496 -8.565 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.990 -7.973 0.878 1.00 0.00 H new ATOM 206 N THR A 64 5.952 -8.458 -1.357 1.00 0.00 N ATOM 207 CA THR A 64 5.249 -8.560 -2.633 1.00 0.00 C ATOM 208 C THR A 64 3.755 -8.326 -2.438 1.00 0.00 C ATOM 209 O THR A 64 3.173 -8.732 -1.432 1.00 0.00 O ATOM 210 CB THR A 64 5.461 -9.944 -3.253 1.00 0.00 C ATOM 211 OG1 THR A 64 6.832 -10.304 -3.145 1.00 0.00 O ATOM 212 CG2 THR A 64 5.054 -9.911 -4.727 1.00 0.00 C ATOM 0 H THR A 64 5.482 -8.910 -0.573 1.00 0.00 H new ATOM 0 HA THR A 64 5.652 -7.798 -3.301 1.00 0.00 H new ATOM 0 HB THR A 64 4.850 -10.677 -2.726 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.970 -11.190 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.205 -10.896 -5.168 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.003 -9.634 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.664 -9.179 -5.257 1.00 0.00 H new ATOM 220 N VAL A 65 3.141 -7.665 -3.415 1.00 0.00 N ATOM 221 CA VAL A 65 1.711 -7.380 -3.346 1.00 0.00 C ATOM 222 C VAL A 65 0.910 -8.674 -3.465 1.00 0.00 C ATOM 223 O VAL A 65 1.118 -9.469 -4.383 1.00 0.00 O ATOM 224 CB VAL A 65 1.300 -6.424 -4.470 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.169 -6.027 -4.301 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.172 -5.165 -4.414 1.00 0.00 C ATOM 0 H VAL A 65 3.605 -7.320 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 65 1.502 -6.911 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 65 1.433 -6.922 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.457 -5.347 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.794 -6.919 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.304 -5.532 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.880 -4.484 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.038 -4.672 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.219 -5.442 -4.537 1.00 0.00 H new ATOM 236 N SER A 66 -0.005 -8.878 -2.522 1.00 0.00 N ATOM 237 CA SER A 66 -0.831 -10.081 -2.524 1.00 0.00 C ATOM 238 C SER A 66 -2.193 -9.798 -3.148 1.00 0.00 C ATOM 239 O SER A 66 -2.575 -10.413 -4.143 1.00 0.00 O ATOM 240 CB SER A 66 -1.034 -10.594 -1.098 1.00 0.00 C ATOM 241 OG SER A 66 0.078 -11.397 -0.726 1.00 0.00 O ATOM 0 H SER A 66 -0.192 -8.233 -1.754 1.00 0.00 H new ATOM 0 HA SER A 66 -0.314 -10.839 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.139 -9.756 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.954 -11.175 -1.036 1.00 0.00 H new ATOM 0 HG SER A 66 -0.173 -12.343 -0.770 1.00 0.00 H new ATOM 247 N LYS A 67 -2.925 -8.862 -2.549 1.00 0.00 N ATOM 248 CA LYS A 67 -4.251 -8.510 -3.056 1.00 0.00 C ATOM 249 C LYS A 67 -4.562 -7.045 -2.769 1.00 0.00 C ATOM 250 O LYS A 67 -4.138 -6.491 -1.755 1.00 0.00 O ATOM 251 CB LYS A 67 -5.330 -9.378 -2.401 1.00 0.00 C ATOM 252 CG LYS A 67 -4.919 -10.852 -2.462 1.00 0.00 C ATOM 253 CD LYS A 67 -6.100 -11.730 -2.043 1.00 0.00 C ATOM 254 CE LYS A 67 -6.924 -12.103 -3.276 1.00 0.00 C ATOM 255 NZ LYS A 67 -8.350 -12.358 -2.922 1.00 0.00 N ATOM 0 H LYS A 67 -2.630 -8.340 -1.724 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.249 -8.682 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.474 -9.074 -1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.283 -9.235 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.601 -11.110 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.068 -11.031 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.739 -12.631 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.723 -11.199 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.868 -11.299 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.499 -12.991 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.881 -12.608 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.404 -13.142 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.761 -11.502 -2.498 1.00 0.00 H new ATOM 269 N ILE A 68 -5.315 -6.427 -3.674 1.00 0.00 N ATOM 270 CA ILE A 68 -5.689 -5.024 -3.512 1.00 0.00 C ATOM 271 C ILE A 68 -7.135 -4.919 -3.036 1.00 0.00 C ATOM 272 O ILE A 68 -8.054 -5.432 -3.676 1.00 0.00 O ATOM 273 CB ILE A 68 -5.542 -4.270 -4.835 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.140 -4.504 -5.405 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.749 -2.773 -4.598 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.059 -3.922 -6.816 1.00 0.00 C ATOM 0 H ILE A 68 -5.676 -6.869 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.024 -4.579 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.288 -4.633 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.393 -4.036 -4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.918 -5.571 -5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.644 -2.237 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.747 -2.603 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.004 -2.410 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.061 -4.089 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.796 -4.410 -7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.262 -2.852 -6.780 1.00 0.00 H new ATOM 288 N LEU A 69 -7.326 -4.252 -1.902 1.00 0.00 N ATOM 289 CA LEU A 69 -8.665 -4.088 -1.343 1.00 0.00 C ATOM 290 C LEU A 69 -9.279 -2.768 -1.796 1.00 0.00 C ATOM 291 O LEU A 69 -10.438 -2.715 -2.206 1.00 0.00 O ATOM 292 CB LEU A 69 -8.612 -4.113 0.184 1.00 0.00 C ATOM 293 CG LEU A 69 -8.222 -5.456 0.806 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.701 -5.529 0.947 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.869 -5.585 2.187 1.00 0.00 C ATOM 0 H LEU A 69 -6.580 -3.820 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.280 -4.914 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.901 -3.357 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.590 -3.824 0.569 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.567 -6.268 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.422 -6.485 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.240 -5.436 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.356 -4.718 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.592 -6.541 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.524 -4.774 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.953 -5.532 2.087 1.00 0.00 H new ATOM 307 N VAL A 70 -8.491 -1.700 -1.713 1.00 0.00 N ATOM 308 CA VAL A 70 -8.972 -0.381 -2.113 1.00 0.00 C ATOM 309 C VAL A 70 -8.576 -0.077 -3.556 1.00 0.00 C ATOM 310 O VAL A 70 -7.495 -0.449 -4.012 1.00 0.00 O ATOM 311 CB VAL A 70 -8.401 0.702 -1.191 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.847 0.428 0.247 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.869 0.690 -1.255 1.00 0.00 C ATOM 0 H VAL A 70 -7.528 -1.720 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.059 -0.383 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.767 1.677 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.443 1.196 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.936 0.441 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.481 -0.549 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.471 1.463 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.499 -0.284 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.546 0.883 -2.278 1.00 0.00 H new ATOM 323 N LYS A 71 -9.465 0.611 -4.265 1.00 0.00 N ATOM 324 CA LYS A 71 -9.203 0.969 -5.654 1.00 0.00 C ATOM 325 C LYS A 71 -9.542 2.437 -5.892 1.00 0.00 C ATOM 326 O LYS A 71 -10.208 3.076 -5.078 1.00 0.00 O ATOM 327 CB LYS A 71 -10.036 0.101 -6.601 1.00 0.00 C ATOM 328 CG LYS A 71 -11.518 0.216 -6.235 1.00 0.00 C ATOM 329 CD LYS A 71 -12.374 -0.238 -7.420 1.00 0.00 C ATOM 330 CE LYS A 71 -13.647 0.608 -7.488 1.00 0.00 C ATOM 331 NZ LYS A 71 -14.098 0.800 -8.896 1.00 0.00 N ATOM 0 H LYS A 71 -10.365 0.929 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.145 0.801 -5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.880 0.418 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.715 -0.938 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.736 -0.396 -5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.760 1.246 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.810 -0.140 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.631 -1.292 -7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.438 0.125 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.466 1.579 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.963 1.377 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.352 1.283 -9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.294 -0.126 -9.327 1.00 0.00 H new ATOM 345 N GLU A 72 -9.070 2.965 -7.019 1.00 0.00 N ATOM 346 CA GLU A 72 -9.323 4.363 -7.362 1.00 0.00 C ATOM 347 C GLU A 72 -10.824 4.632 -7.456 1.00 0.00 C ATOM 348 O GLU A 72 -11.470 4.292 -8.446 1.00 0.00 O ATOM 349 CB GLU A 72 -8.668 4.709 -8.703 1.00 0.00 C ATOM 350 CG GLU A 72 -8.127 6.140 -8.659 1.00 0.00 C ATOM 351 CD GLU A 72 -8.247 6.773 -10.041 1.00 0.00 C ATOM 352 OE1 GLU A 72 -8.047 6.066 -11.014 1.00 0.00 O ATOM 353 OE2 GLU A 72 -8.536 7.957 -10.105 1.00 0.00 O ATOM 0 H GLU A 72 -8.516 2.452 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.895 4.984 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.859 4.010 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.394 4.609 -9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.683 6.728 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.085 6.136 -8.338 1.00 0.00 H new ATOM 360 N GLY A 73 -11.369 5.248 -6.410 1.00 0.00 N ATOM 361 CA GLY A 73 -12.796 5.561 -6.382 1.00 0.00 C ATOM 362 C GLY A 73 -13.388 5.265 -5.007 1.00 0.00 C ATOM 363 O GLY A 73 -14.323 5.932 -4.562 1.00 0.00 O ATOM 0 H GLY A 73 -10.852 5.538 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.948 6.612 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.316 4.976 -7.141 1.00 0.00 H new ATOM 367 N ASP A 74 -12.836 4.256 -4.341 1.00 0.00 N ATOM 368 CA ASP A 74 -13.317 3.876 -3.016 1.00 0.00 C ATOM 369 C ASP A 74 -12.652 4.730 -1.941 1.00 0.00 C ATOM 370 O ASP A 74 -11.516 5.177 -2.097 1.00 0.00 O ATOM 371 CB ASP A 74 -13.014 2.402 -2.738 1.00 0.00 C ATOM 372 CG ASP A 74 -13.884 1.526 -3.633 1.00 0.00 C ATOM 373 OD1 ASP A 74 -13.852 1.727 -4.836 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.569 0.668 -3.102 1.00 0.00 O ATOM 0 H ASP A 74 -12.063 3.691 -4.692 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.395 4.036 -2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.960 2.195 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.205 2.172 -1.690 1.00 0.00 H new ATOM 379 N THR A 75 -13.376 4.950 -0.847 1.00 0.00 N ATOM 380 CA THR A 75 -12.849 5.752 0.254 1.00 0.00 C ATOM 381 C THR A 75 -12.257 4.850 1.331 1.00 0.00 C ATOM 382 O THR A 75 -12.778 3.770 1.612 1.00 0.00 O ATOM 383 CB THR A 75 -13.958 6.606 0.873 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.699 7.237 -0.161 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.340 7.668 1.783 1.00 0.00 C ATOM 0 H THR A 75 -14.319 4.589 -0.699 1.00 0.00 H new ATOM 0 HA THR A 75 -12.071 6.403 -0.145 1.00 0.00 H new ATOM 0 HB THR A 75 -14.621 5.971 1.460 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.411 7.783 0.233 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.131 8.275 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.772 7.182 2.576 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.676 8.305 1.199 1.00 0.00 H new ATOM 393 N VAL A 76 -11.160 5.304 1.932 1.00 0.00 N ATOM 394 CA VAL A 76 -10.501 4.528 2.979 1.00 0.00 C ATOM 395 C VAL A 76 -10.450 5.320 4.280 1.00 0.00 C ATOM 396 O VAL A 76 -10.466 6.551 4.278 1.00 0.00 O ATOM 397 CB VAL A 76 -9.075 4.165 2.561 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.121 3.222 1.359 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.316 5.438 2.182 1.00 0.00 C ATOM 0 H VAL A 76 -10.713 6.195 1.715 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.078 3.616 3.132 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.567 3.672 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.105 2.963 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.662 2.315 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.628 3.714 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.300 5.181 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.823 5.931 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.283 6.111 3.039 1.00 0.00 H new ATOM 409 N LYS A 77 -10.384 4.597 5.394 1.00 0.00 N ATOM 410 CA LYS A 77 -10.327 5.237 6.704 1.00 0.00 C ATOM 411 C LYS A 77 -9.005 4.910 7.393 1.00 0.00 C ATOM 412 O LYS A 77 -8.409 3.858 7.156 1.00 0.00 O ATOM 413 CB LYS A 77 -11.483 4.758 7.586 1.00 0.00 C ATOM 414 CG LYS A 77 -11.956 5.907 8.481 1.00 0.00 C ATOM 415 CD LYS A 77 -13.133 6.622 7.815 1.00 0.00 C ATOM 416 CE LYS A 77 -13.402 7.945 8.535 1.00 0.00 C ATOM 417 NZ LYS A 77 -14.486 8.719 7.865 1.00 0.00 N ATOM 0 H LYS A 77 -10.369 3.577 5.417 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.407 6.314 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.306 4.405 6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.162 3.915 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.255 5.523 9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.140 6.609 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.912 6.807 6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.021 5.991 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.681 7.747 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.489 8.540 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.644 9.610 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.209 8.928 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.363 8.160 7.865 1.00 0.00 H new ATOM 431 N ALA A 78 -8.552 5.824 8.246 1.00 0.00 N ATOM 432 CA ALA A 78 -7.295 5.627 8.965 1.00 0.00 C ATOM 433 C ALA A 78 -7.360 4.370 9.828 1.00 0.00 C ATOM 434 O ALA A 78 -7.867 4.394 10.950 1.00 0.00 O ATOM 435 CB ALA A 78 -6.999 6.830 9.863 1.00 0.00 C ATOM 0 H ALA A 78 -9.030 6.700 8.456 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.501 5.518 8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.060 6.667 10.391 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.921 7.729 9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.806 6.951 10.586 1.00 0.00 H new ATOM 441 N GLY A 79 -6.836 3.270 9.292 1.00 0.00 N ATOM 442 CA GLY A 79 -6.836 2.005 10.022 1.00 0.00 C ATOM 443 C GLY A 79 -7.371 0.872 9.151 1.00 0.00 C ATOM 444 O GLY A 79 -6.972 -0.283 9.298 1.00 0.00 O ATOM 0 H GLY A 79 -6.411 3.228 8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.823 1.770 10.349 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.448 2.099 10.919 1.00 0.00 H new ATOM 448 N GLN A 80 -8.281 1.214 8.243 1.00 0.00 N ATOM 449 CA GLN A 80 -8.868 0.216 7.354 1.00 0.00 C ATOM 450 C GLN A 80 -7.806 -0.369 6.428 1.00 0.00 C ATOM 451 O GLN A 80 -6.942 0.346 5.920 1.00 0.00 O ATOM 452 CB GLN A 80 -9.979 0.839 6.507 1.00 0.00 C ATOM 453 CG GLN A 80 -11.005 -0.235 6.140 1.00 0.00 C ATOM 454 CD GLN A 80 -12.347 0.424 5.842 1.00 0.00 C ATOM 455 OE1 GLN A 80 -13.292 0.306 6.622 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.489 1.119 4.747 1.00 0.00 N ATOM 0 H GLN A 80 -8.625 2.164 8.104 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.285 -0.578 7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.462 1.645 7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.558 1.279 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.663 -0.798 5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.111 -0.947 6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.706 1.217 4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.383 1.564 4.538 1.00 0.00 H new ATOM 465 N THR A 81 -7.882 -1.680 6.215 1.00 0.00 N ATOM 466 CA THR A 81 -6.924 -2.359 5.345 1.00 0.00 C ATOM 467 C THR A 81 -7.085 -1.877 3.908 1.00 0.00 C ATOM 468 O THR A 81 -8.199 -1.734 3.406 1.00 0.00 O ATOM 469 CB THR A 81 -7.136 -3.874 5.394 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.376 -4.273 6.736 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.889 -4.583 4.865 1.00 0.00 C ATOM 0 H THR A 81 -8.589 -2.289 6.628 1.00 0.00 H new ATOM 0 HA THR A 81 -5.919 -2.126 5.697 1.00 0.00 H new ATOM 0 HB THR A 81 -7.993 -4.142 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.514 -5.243 6.769 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.041 -5.662 4.900 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.705 -4.276 3.835 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.030 -4.317 5.482 1.00 0.00 H new ATOM 479 N VAL A 82 -5.956 -1.620 3.253 1.00 0.00 N ATOM 480 CA VAL A 82 -5.982 -1.142 1.872 1.00 0.00 C ATOM 481 C VAL A 82 -5.356 -2.161 0.920 1.00 0.00 C ATOM 482 O VAL A 82 -5.722 -2.236 -0.253 1.00 0.00 O ATOM 483 CB VAL A 82 -5.223 0.183 1.752 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.934 1.254 2.582 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.794 0.006 2.271 1.00 0.00 C ATOM 0 H VAL A 82 -5.023 -1.732 3.649 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.026 -0.996 1.596 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.194 0.489 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.395 2.197 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.952 1.384 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.963 0.945 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.256 0.950 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.822 -0.301 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.285 -0.757 1.682 1.00 0.00 H new ATOM 495 N LEU A 83 -4.402 -2.938 1.427 1.00 0.00 N ATOM 496 CA LEU A 83 -3.734 -3.935 0.594 1.00 0.00 C ATOM 497 C LEU A 83 -2.959 -4.930 1.456 1.00 0.00 C ATOM 498 O LEU A 83 -2.512 -4.606 2.555 1.00 0.00 O ATOM 499 CB LEU A 83 -2.768 -3.243 -0.371 1.00 0.00 C ATOM 500 CG LEU A 83 -1.907 -4.172 -1.235 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.673 -3.534 -2.608 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.559 -4.404 -0.544 1.00 0.00 C ATOM 0 H LEU A 83 -4.078 -2.899 2.393 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.495 -4.475 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.345 -2.596 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.106 -2.599 0.208 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.422 -5.124 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.061 -4.198 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.631 -3.369 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.160 -2.580 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.055 -5.064 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.048 -3.450 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.724 -4.863 0.431 1.00 0.00 H new ATOM 514 N VAL A 84 -2.803 -6.147 0.937 1.00 0.00 N ATOM 515 CA VAL A 84 -2.076 -7.186 1.661 1.00 0.00 C ATOM 516 C VAL A 84 -0.722 -7.436 1.003 1.00 0.00 C ATOM 517 O VAL A 84 -0.607 -7.449 -0.223 1.00 0.00 O ATOM 518 CB VAL A 84 -2.875 -8.492 1.675 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.190 -9.502 2.599 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.292 -8.218 2.188 1.00 0.00 C ATOM 0 H VAL A 84 -3.166 -6.435 0.028 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.928 -6.845 2.686 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.923 -8.897 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.760 -10.431 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.180 -9.699 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.142 -9.096 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.861 -9.147 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.241 -7.813 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.783 -7.499 1.533 1.00 0.00 H new ATOM 530 N LEU A 85 0.302 -7.631 1.829 1.00 0.00 N ATOM 531 CA LEU A 85 1.647 -7.876 1.315 1.00 0.00 C ATOM 532 C LEU A 85 2.166 -9.226 1.799 1.00 0.00 C ATOM 533 O LEU A 85 1.666 -9.788 2.774 1.00 0.00 O ATOM 534 CB LEU A 85 2.604 -6.768 1.771 1.00 0.00 C ATOM 535 CG LEU A 85 2.814 -5.628 0.770 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.148 -4.339 1.523 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.971 -5.983 -0.168 1.00 0.00 C ATOM 0 H LEU A 85 0.229 -7.625 2.846 1.00 0.00 H new ATOM 0 HA LEU A 85 1.598 -7.882 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.227 -6.346 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.572 -7.216 1.993 1.00 0.00 H new ATOM 0 HG LEU A 85 1.903 -5.483 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.297 -3.529 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.326 -4.086 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.059 -4.483 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.123 -5.173 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.881 -6.128 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.735 -6.901 -0.706 1.00 0.00 H new ATOM 549 N GLU A 86 3.177 -9.739 1.104 1.00 0.00 N ATOM 550 CA GLU A 86 3.765 -11.025 1.467 1.00 0.00 C ATOM 551 C GLU A 86 5.287 -10.924 1.481 1.00 0.00 C ATOM 552 O GLU A 86 5.912 -10.601 0.471 1.00 0.00 O ATOM 553 CB GLU A 86 3.344 -12.107 0.470 1.00 0.00 C ATOM 554 CG GLU A 86 2.086 -12.812 0.984 1.00 0.00 C ATOM 555 CD GLU A 86 1.712 -13.944 0.033 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.462 -14.903 -0.040 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.680 -13.834 -0.609 1.00 0.00 O ATOM 0 H GLU A 86 3.603 -9.289 0.294 1.00 0.00 H new ATOM 0 HA GLU A 86 3.408 -11.293 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.151 -11.662 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.150 -12.829 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.261 -13.207 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.264 -12.101 1.061 1.00 0.00 H new ATOM 630 N GLU A 91 2.356 -13.006 5.774 1.00 0.00 N ATOM 631 CA GLU A 91 1.385 -12.061 5.230 1.00 0.00 C ATOM 632 C GLU A 91 1.242 -10.857 6.153 1.00 0.00 C ATOM 633 O GLU A 91 1.004 -11.001 7.353 1.00 0.00 O ATOM 634 CB GLU A 91 0.018 -12.730 5.069 1.00 0.00 C ATOM 635 CG GLU A 91 0.064 -13.713 3.898 1.00 0.00 C ATOM 636 CD GLU A 91 -1.356 -14.027 3.439 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.186 -14.297 4.290 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.592 -13.989 2.243 1.00 0.00 O ATOM 0 HA GLU A 91 1.745 -11.732 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.253 -13.253 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.749 -11.976 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.638 -13.287 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.571 -14.630 4.199 1.00 0.00 H new ATOM 645 N THR A 92 1.389 -9.666 5.581 1.00 0.00 N ATOM 646 CA THR A 92 1.275 -8.437 6.363 1.00 0.00 C ATOM 647 C THR A 92 0.140 -7.570 5.827 1.00 0.00 C ATOM 648 O THR A 92 0.092 -7.250 4.639 1.00 0.00 O ATOM 649 CB THR A 92 2.581 -7.643 6.308 1.00 0.00 C ATOM 650 OG1 THR A 92 3.679 -8.531 6.462 1.00 0.00 O ATOM 651 CG2 THR A 92 2.597 -6.608 7.434 1.00 0.00 C ATOM 0 H THR A 92 1.585 -9.525 4.590 1.00 0.00 H new ATOM 0 HA THR A 92 1.065 -8.713 7.396 1.00 0.00 H new ATOM 0 HB THR A 92 2.658 -7.133 5.348 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.517 -8.024 6.425 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.528 -6.042 7.395 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.754 -5.928 7.315 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.521 -7.115 8.396 1.00 0.00 H new ATOM 659 N GLU A 93 -0.772 -7.195 6.718 1.00 0.00 N ATOM 660 CA GLU A 93 -1.907 -6.363 6.330 1.00 0.00 C ATOM 661 C GLU A 93 -1.502 -4.892 6.302 1.00 0.00 C ATOM 662 O GLU A 93 -0.918 -4.376 7.255 1.00 0.00 O ATOM 663 CB GLU A 93 -3.065 -6.543 7.312 1.00 0.00 C ATOM 664 CG GLU A 93 -3.549 -7.994 7.272 1.00 0.00 C ATOM 665 CD GLU A 93 -4.033 -8.406 8.658 1.00 0.00 C ATOM 666 OE1 GLU A 93 -3.376 -8.054 9.623 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.055 -9.069 8.734 1.00 0.00 O ATOM 0 H GLU A 93 -0.749 -7.451 7.705 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.226 -6.672 5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.744 -6.284 8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.882 -5.869 7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.356 -8.100 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.741 -8.649 6.947 1.00 0.00 H new ATOM 674 N ILE A 94 -1.820 -4.225 5.197 1.00 0.00 N ATOM 675 CA ILE A 94 -1.485 -2.809 5.051 1.00 0.00 C ATOM 676 C ILE A 94 -2.740 -1.955 5.186 1.00 0.00 C ATOM 677 O ILE A 94 -3.675 -2.071 4.395 1.00 0.00 O ATOM 678 CB ILE A 94 -0.845 -2.536 3.684 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.249 -3.579 3.389 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.234 -1.131 3.677 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.343 -3.524 4.463 1.00 0.00 C ATOM 0 H ILE A 94 -2.303 -4.634 4.397 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.775 -2.552 5.837 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.612 -2.605 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.189 -4.576 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.684 -3.391 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.221 -0.937 2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.014 -0.394 3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.527 -1.061 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.109 -4.267 4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.793 -2.531 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.906 -3.735 5.439 1.00 0.00 H new ATOM 693 N ASN A 95 -2.750 -1.093 6.199 1.00 0.00 N ATOM 694 CA ASN A 95 -3.896 -0.220 6.431 1.00 0.00 C ATOM 695 C ASN A 95 -3.529 1.227 6.128 1.00 0.00 C ATOM 696 O ASN A 95 -2.368 1.626 6.239 1.00 0.00 O ATOM 697 CB ASN A 95 -4.364 -0.322 7.884 1.00 0.00 C ATOM 698 CG ASN A 95 -3.187 -0.062 8.818 1.00 0.00 C ATOM 699 OD1 ASN A 95 -2.494 0.948 8.689 1.00 0.00 O ATOM 700 ND2 ASN A 95 -2.916 -0.921 9.763 1.00 0.00 N ATOM 0 H ASN A 95 -1.986 -0.981 6.866 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.701 -0.539 5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.158 0.400 8.073 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.781 -1.311 8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.131 -0.755 10.393 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.489 -1.758 9.871 1.00 0.00 H new ATOM 707 N ALA A 96 -4.530 2.011 5.740 1.00 0.00 N ATOM 708 CA ALA A 96 -4.303 3.417 5.421 1.00 0.00 C ATOM 709 C ALA A 96 -3.796 4.168 6.655 1.00 0.00 C ATOM 710 O ALA A 96 -4.237 3.902 7.773 1.00 0.00 O ATOM 711 CB ALA A 96 -5.597 4.071 4.936 1.00 0.00 C ATOM 0 H ALA A 96 -5.497 1.701 5.639 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.554 3.467 4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.410 5.119 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.951 3.558 4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.354 4.003 5.717 1.00 0.00 H new ATOM 717 N PRO A 97 -2.863 5.114 6.473 1.00 0.00 N ATOM 718 CA PRO A 97 -2.309 5.893 7.591 1.00 0.00 C ATOM 719 C PRO A 97 -3.299 6.927 8.121 1.00 0.00 C ATOM 720 O PRO A 97 -3.323 7.232 9.313 1.00 0.00 O ATOM 721 CB PRO A 97 -1.088 6.583 6.990 1.00 0.00 C ATOM 722 CG PRO A 97 -1.367 6.670 5.528 1.00 0.00 C ATOM 723 CD PRO A 97 -2.263 5.514 5.185 1.00 0.00 C ATOM 0 HA PRO A 97 -2.071 5.258 8.445 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.943 7.573 7.423 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.179 6.014 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.847 7.617 5.282 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.441 6.624 4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.028 5.805 4.465 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.700 4.695 4.738 1.00 0.00 H new ATOM 731 N THR A 98 -4.116 7.461 7.218 1.00 0.00 N ATOM 732 CA THR A 98 -5.109 8.462 7.598 1.00 0.00 C ATOM 733 C THR A 98 -6.341 8.354 6.705 1.00 0.00 C ATOM 734 O THR A 98 -6.290 7.774 5.620 1.00 0.00 O ATOM 735 CB THR A 98 -4.525 9.870 7.474 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.615 9.909 6.385 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.794 10.237 8.768 1.00 0.00 C ATOM 0 H THR A 98 -4.111 7.221 6.227 1.00 0.00 H new ATOM 0 HA THR A 98 -5.393 8.278 8.634 1.00 0.00 H new ATOM 0 HB THR A 98 -5.330 10.584 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.241 10.811 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.378 11.241 8.679 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.495 10.207 9.603 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.988 9.525 8.945 1.00 0.00 H new ATOM 745 N ASP A 99 -7.449 8.918 7.174 1.00 0.00 N ATOM 746 CA ASP A 99 -8.693 8.881 6.409 1.00 0.00 C ATOM 747 C ASP A 99 -8.539 9.657 5.106 1.00 0.00 C ATOM 748 O ASP A 99 -7.878 10.694 5.057 1.00 0.00 O ATOM 749 CB ASP A 99 -9.841 9.490 7.219 1.00 0.00 C ATOM 750 CG ASP A 99 -9.444 10.880 7.704 1.00 0.00 C ATOM 751 OD1 ASP A 99 -8.455 10.979 8.412 1.00 0.00 O ATOM 752 OD2 ASP A 99 -10.134 11.825 7.359 1.00 0.00 O ATOM 0 H ASP A 99 -7.513 9.401 8.070 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.920 7.838 6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.740 9.551 6.606 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.078 8.851 8.070 1.00 0.00 H new ATOM 757 N GLY A 100 -9.160 9.142 4.049 1.00 0.00 N ATOM 758 CA GLY A 100 -9.088 9.795 2.744 1.00 0.00 C ATOM 759 C GLY A 100 -9.691 8.910 1.659 1.00 0.00 C ATOM 760 O GLY A 100 -10.564 8.084 1.924 1.00 0.00 O ATOM 0 H GLY A 100 -9.713 8.285 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.618 10.747 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.049 10.018 2.501 1.00 0.00 H new ATOM 764 N LYS A 101 -9.216 9.095 0.430 1.00 0.00 N ATOM 765 CA LYS A 101 -9.716 8.311 -0.698 1.00 0.00 C ATOM 766 C LYS A 101 -8.568 7.919 -1.625 1.00 0.00 C ATOM 767 O LYS A 101 -7.599 8.659 -1.784 1.00 0.00 O ATOM 768 CB LYS A 101 -10.746 9.115 -1.493 1.00 0.00 C ATOM 769 CG LYS A 101 -11.496 8.186 -2.449 1.00 0.00 C ATOM 770 CD LYS A 101 -12.220 9.020 -3.508 1.00 0.00 C ATOM 771 CE LYS A 101 -13.377 9.779 -2.858 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.805 10.937 -3.693 1.00 0.00 N ATOM 0 H LYS A 101 -8.493 9.773 0.190 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.186 7.411 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.448 9.598 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.250 9.907 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.798 7.498 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.213 7.579 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.526 9.721 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.596 8.373 -4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.220 9.104 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.075 10.132 -1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.591 11.431 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.007 11.593 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.116 10.597 -4.625 1.00 0.00 H new ATOM 786 N VAL A 102 -8.693 6.743 -2.236 1.00 0.00 N ATOM 787 CA VAL A 102 -7.663 6.257 -3.150 1.00 0.00 C ATOM 788 C VAL A 102 -7.733 7.010 -4.476 1.00 0.00 C ATOM 789 O VAL A 102 -8.653 6.813 -5.270 1.00 0.00 O ATOM 790 CB VAL A 102 -7.844 4.759 -3.413 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.652 4.230 -4.214 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.928 4.012 -2.079 1.00 0.00 C ATOM 0 H VAL A 102 -9.488 6.115 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.691 6.427 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.762 4.601 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.783 3.164 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.589 4.759 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.734 4.390 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.057 2.946 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.010 4.173 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.777 4.385 -1.506 1.00 0.00 H new ATOM 802 N GLU A 103 -6.750 7.877 -4.702 1.00 0.00 N ATOM 803 CA GLU A 103 -6.708 8.661 -5.934 1.00 0.00 C ATOM 804 C GLU A 103 -5.890 7.944 -7.008 1.00 0.00 C ATOM 805 O GLU A 103 -6.118 8.128 -8.204 1.00 0.00 O ATOM 806 CB GLU A 103 -6.091 10.038 -5.673 1.00 0.00 C ATOM 807 CG GLU A 103 -4.709 9.869 -5.042 1.00 0.00 C ATOM 808 CD GLU A 103 -3.952 11.192 -5.112 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.425 11.495 -6.170 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.913 11.883 -4.108 1.00 0.00 O ATOM 0 H GLU A 103 -5.980 8.054 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.733 8.781 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.010 10.594 -6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.736 10.617 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.808 9.549 -4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.152 9.091 -5.564 1.00 0.00 H new ATOM 817 N LYS A 104 -4.932 7.128 -6.571 1.00 0.00 N ATOM 818 CA LYS A 104 -4.087 6.393 -7.508 1.00 0.00 C ATOM 819 C LYS A 104 -3.409 5.220 -6.808 1.00 0.00 C ATOM 820 O LYS A 104 -2.905 5.351 -5.692 1.00 0.00 O ATOM 821 CB LYS A 104 -3.014 7.312 -8.097 1.00 0.00 C ATOM 822 CG LYS A 104 -2.722 6.901 -9.543 1.00 0.00 C ATOM 823 CD LYS A 104 -1.584 5.879 -9.564 1.00 0.00 C ATOM 824 CE LYS A 104 -1.405 5.344 -10.986 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.928 6.410 -11.913 1.00 0.00 N ATOM 0 H LYS A 104 -4.724 6.961 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.722 6.018 -8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.350 8.348 -8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.103 7.253 -7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.616 6.475 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.450 7.776 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.659 6.341 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.805 5.059 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.692 4.520 -10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.352 4.943 -11.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.688 5.988 -12.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.678 7.119 -12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.085 6.868 -11.511 1.00 0.00 H new ATOM 839 N VAL A 105 -3.403 4.069 -7.476 1.00 0.00 N ATOM 840 CA VAL A 105 -2.782 2.874 -6.909 1.00 0.00 C ATOM 841 C VAL A 105 -1.425 2.624 -7.560 1.00 0.00 C ATOM 842 O VAL A 105 -1.341 2.231 -8.724 1.00 0.00 O ATOM 843 CB VAL A 105 -3.673 1.647 -7.130 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.102 0.448 -6.363 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.090 1.948 -6.629 1.00 0.00 C ATOM 0 H VAL A 105 -3.816 3.938 -8.400 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.651 3.038 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.705 1.411 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.738 -0.422 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.096 0.232 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.066 0.681 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.724 1.076 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.057 2.186 -5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.498 2.797 -7.178 1.00 0.00 H new ATOM 855 N LEU A 106 -0.360 2.856 -6.793 1.00 0.00 N ATOM 856 CA LEU A 106 0.998 2.653 -7.299 1.00 0.00 C ATOM 857 C LEU A 106 1.494 1.227 -7.029 1.00 0.00 C ATOM 858 O LEU A 106 2.689 1.005 -6.838 1.00 0.00 O ATOM 859 CB LEU A 106 1.963 3.643 -6.642 1.00 0.00 C ATOM 860 CG LEU A 106 1.588 5.120 -6.790 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.158 5.910 -5.611 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.171 5.664 -8.096 1.00 0.00 C ATOM 0 H LEU A 106 -0.409 3.182 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 106 0.969 2.816 -8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.032 3.407 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.956 3.493 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 106 0.503 5.221 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.892 6.962 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.746 5.522 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.243 5.810 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.905 6.716 -8.203 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.256 5.564 -8.079 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.768 5.100 -8.937 1.00 0.00 H new ATOM 874 N VAL A 107 0.574 0.264 -7.014 1.00 0.00 N ATOM 875 CA VAL A 107 0.945 -1.126 -6.765 1.00 0.00 C ATOM 876 C VAL A 107 -0.090 -2.068 -7.372 1.00 0.00 C ATOM 877 O VAL A 107 -1.286 -1.777 -7.379 1.00 0.00 O ATOM 878 CB VAL A 107 1.039 -1.396 -5.263 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.202 -0.600 -4.671 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.265 -0.968 -4.587 1.00 0.00 C ATOM 0 H VAL A 107 -0.422 0.418 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 107 1.917 -1.302 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 107 1.206 -2.460 -5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.268 -0.794 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.132 -0.902 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.037 0.464 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.200 -1.160 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.430 0.096 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.096 -1.535 -5.007 1.00 0.00 H new ATOM 890 N LYS A 108 0.383 -3.203 -7.876 1.00 0.00 N ATOM 891 CA LYS A 108 -0.511 -4.187 -8.481 1.00 0.00 C ATOM 892 C LYS A 108 -0.232 -5.574 -7.913 1.00 0.00 C ATOM 893 O LYS A 108 0.792 -5.804 -7.272 1.00 0.00 O ATOM 894 CB LYS A 108 -0.323 -4.221 -9.999 1.00 0.00 C ATOM 895 CG LYS A 108 -0.881 -2.934 -10.613 1.00 0.00 C ATOM 896 CD LYS A 108 0.250 -1.917 -10.782 1.00 0.00 C ATOM 897 CE LYS A 108 -0.131 -0.907 -11.867 1.00 0.00 C ATOM 898 NZ LYS A 108 0.887 0.176 -11.983 1.00 0.00 N ATOM 0 H LYS A 108 1.369 -3.464 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.537 -3.898 -8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.734 -4.324 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.833 -5.088 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.339 -3.148 -11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.662 -2.522 -9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.434 -1.402 -9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.175 -2.427 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.231 -1.419 -12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.103 -0.472 -11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.600 0.844 -12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.963 0.679 -11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.809 -0.239 -12.228 1.00 0.00 H new ATOM 912 N GLU A 109 -1.158 -6.499 -8.157 1.00 0.00 N ATOM 913 CA GLU A 109 -1.005 -7.867 -7.664 1.00 0.00 C ATOM 914 C GLU A 109 0.250 -8.509 -8.251 1.00 0.00 C ATOM 915 O GLU A 109 0.622 -8.250 -9.395 1.00 0.00 O ATOM 916 CB GLU A 109 -2.221 -8.712 -8.046 1.00 0.00 C ATOM 917 CG GLU A 109 -3.344 -8.477 -7.033 1.00 0.00 C ATOM 918 CD GLU A 109 -4.580 -9.267 -7.450 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.034 -9.071 -8.566 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.053 -10.055 -6.649 1.00 0.00 O ATOM 0 H GLU A 109 -2.013 -6.330 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.918 -7.825 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.560 -8.449 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.951 -9.768 -8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.021 -8.785 -6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.581 -7.414 -6.977 1.00 0.00 H new ATOM 927 N ARG A 110 0.898 -9.353 -7.450 1.00 0.00 N ATOM 928 CA ARG A 110 2.113 -10.035 -7.893 1.00 0.00 C ATOM 929 C ARG A 110 3.200 -9.020 -8.240 1.00 0.00 C ATOM 930 O ARG A 110 3.969 -9.206 -9.184 1.00 0.00 O ATOM 931 CB ARG A 110 1.824 -10.902 -9.121 1.00 0.00 C ATOM 932 CG ARG A 110 0.825 -12.000 -8.747 1.00 0.00 C ATOM 933 CD ARG A 110 1.525 -13.061 -7.898 1.00 0.00 C ATOM 934 NE ARG A 110 0.693 -14.253 -7.773 1.00 0.00 N ATOM 935 CZ ARG A 110 1.066 -15.410 -8.315 1.00 0.00 C ATOM 936 NH1 ARG A 110 2.139 -16.015 -7.884 1.00 0.00 N ATOM 937 NH2 ARG A 110 0.361 -15.938 -9.276 1.00 0.00 N ATOM 0 H ARG A 110 0.606 -9.580 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 110 2.459 -10.669 -7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.421 -10.288 -9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.748 -11.347 -9.491 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.012 -11.572 -8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.414 -12.454 -9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.481 -13.324 -8.351 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.742 -12.658 -6.909 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.188 -14.199 -7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.691 -15.601 -7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.426 -16.902 -8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.477 -15.464 -9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.648 -16.825 -9.691 1.00 0.00 H new ATOM 951 N ASP A 111 3.254 -7.944 -7.460 1.00 0.00 N ATOM 952 CA ASP A 111 4.251 -6.900 -7.687 1.00 0.00 C ATOM 953 C ASP A 111 5.173 -6.775 -6.478 1.00 0.00 C ATOM 954 O ASP A 111 4.747 -6.940 -5.335 1.00 0.00 O ATOM 955 CB ASP A 111 3.569 -5.553 -7.935 1.00 0.00 C ATOM 956 CG ASP A 111 4.535 -4.617 -8.653 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.152 -5.056 -9.609 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.643 -3.476 -8.237 1.00 0.00 O ATOM 0 H ASP A 111 2.627 -7.772 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 111 4.836 -7.177 -8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.670 -5.694 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.255 -5.113 -6.989 1.00 0.00 H new ATOM 963 N ALA A 112 6.442 -6.481 -6.744 1.00 0.00 N ATOM 964 CA ALA A 112 7.421 -6.335 -5.671 1.00 0.00 C ATOM 965 C ALA A 112 7.510 -4.879 -5.225 1.00 0.00 C ATOM 966 O ALA A 112 7.671 -3.973 -6.043 1.00 0.00 O ATOM 967 CB ALA A 112 8.802 -6.798 -6.139 1.00 0.00 C ATOM 0 H ALA A 112 6.814 -6.340 -7.683 1.00 0.00 H new ATOM 0 HA ALA A 112 7.096 -6.952 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.519 -6.682 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.754 -7.846 -6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.118 -6.196 -6.991 1.00 0.00 H new ATOM 973 N VAL A 113 7.404 -4.665 -3.916 1.00 0.00 N ATOM 974 CA VAL A 113 7.474 -3.315 -3.367 1.00 0.00 C ATOM 975 C VAL A 113 8.608 -3.210 -2.351 1.00 0.00 C ATOM 976 O VAL A 113 8.961 -4.186 -1.689 1.00 0.00 O ATOM 977 CB VAL A 113 6.157 -2.947 -2.681 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.043 -2.864 -3.725 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.806 -4.018 -1.646 1.00 0.00 C ATOM 0 H VAL A 113 7.271 -5.401 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 113 7.659 -2.627 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 113 6.263 -1.982 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.105 -2.602 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.293 -2.102 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.936 -3.829 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.868 -3.757 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.700 -4.983 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.600 -4.078 -0.901 1.00 0.00 H new ATOM 989 N GLN A 114 9.176 -2.012 -2.238 1.00 0.00 N ATOM 990 CA GLN A 114 10.271 -1.786 -1.300 1.00 0.00 C ATOM 991 C GLN A 114 9.752 -1.133 -0.023 1.00 0.00 C ATOM 992 O GLN A 114 8.790 -0.366 -0.047 1.00 0.00 O ATOM 993 CB GLN A 114 11.334 -0.879 -1.926 1.00 0.00 C ATOM 994 CG GLN A 114 11.932 -1.566 -3.154 1.00 0.00 C ATOM 995 CD GLN A 114 13.363 -1.080 -3.363 1.00 0.00 C ATOM 996 OE1 GLN A 114 13.690 0.062 -3.039 1.00 0.00 O ATOM 997 NE2 GLN A 114 14.243 -1.886 -3.891 1.00 0.00 N ATOM 0 H GLN A 114 8.900 -1.192 -2.778 1.00 0.00 H new ATOM 0 HA GLN A 114 10.714 -2.753 -1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.891 0.076 -2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.117 -0.664 -1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 114 11.920 -2.648 -3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.330 -1.347 -4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 114 13.972 -2.832 -4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 114 15.202 -1.570 -4.035 1.00 0.00 H new ATOM 1006 N GLY A 115 10.402 -1.445 1.094 1.00 0.00 N ATOM 1007 CA GLY A 115 10.001 -0.883 2.381 1.00 0.00 C ATOM 1008 C GLY A 115 10.177 0.632 2.385 1.00 0.00 C ATOM 1009 O GLY A 115 11.292 1.141 2.506 1.00 0.00 O ATOM 0 H GLY A 115 11.201 -2.078 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.960 -1.134 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.598 -1.326 3.179 1.00 0.00 H new ATOM 1013 N GLY A 116 9.063 1.346 2.250 1.00 0.00 N ATOM 1014 CA GLY A 116 9.105 2.806 2.237 1.00 0.00 C ATOM 1015 C GLY A 116 8.495 3.358 0.949 1.00 0.00 C ATOM 1016 O GLY A 116 7.961 4.466 0.926 1.00 0.00 O ATOM 0 H GLY A 116 8.131 0.944 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.562 3.197 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.137 3.145 2.330 1.00 0.00 H new ATOM 1020 N GLN A 117 8.585 2.573 -0.123 1.00 0.00 N ATOM 1021 CA GLN A 117 8.040 2.993 -1.414 1.00 0.00 C ATOM 1022 C GLN A 117 6.540 3.255 -1.306 1.00 0.00 C ATOM 1023 O GLN A 117 5.807 2.500 -0.668 1.00 0.00 O ATOM 1024 CB GLN A 117 8.281 1.916 -2.473 1.00 0.00 C ATOM 1025 CG GLN A 117 8.036 2.503 -3.864 1.00 0.00 C ATOM 1026 CD GLN A 117 8.459 1.491 -4.924 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.472 1.675 -5.599 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.734 0.423 -5.114 1.00 0.00 N ATOM 0 H GLN A 117 9.025 1.653 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 117 8.548 3.912 -1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.302 1.541 -2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.617 1.068 -2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.982 2.753 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.599 3.429 -3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.895 0.270 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.007 -0.259 -5.822 1.00 0.00 H new ATOM 1037 N GLY A 118 6.094 4.337 -1.940 1.00 0.00 N ATOM 1038 CA GLY A 118 4.679 4.696 -1.912 1.00 0.00 C ATOM 1039 C GLY A 118 3.830 3.597 -2.541 1.00 0.00 C ATOM 1040 O GLY A 118 3.994 3.259 -3.714 1.00 0.00 O ATOM 0 H GLY A 118 6.685 4.974 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.362 4.863 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.526 5.632 -2.449 1.00 0.00 H new ATOM 1044 N LEU A 119 2.919 3.040 -1.747 1.00 0.00 N ATOM 1045 CA LEU A 119 2.045 1.975 -2.232 1.00 0.00 C ATOM 1046 C LEU A 119 0.800 2.563 -2.886 1.00 0.00 C ATOM 1047 O LEU A 119 0.481 2.259 -4.035 1.00 0.00 O ATOM 1048 CB LEU A 119 1.615 1.069 -1.079 1.00 0.00 C ATOM 1049 CG LEU A 119 2.755 0.398 -0.309 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.209 -0.204 0.987 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.365 -0.711 -1.168 1.00 0.00 C ATOM 0 H LEU A 119 2.767 3.305 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 119 2.603 1.393 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.024 1.658 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.960 0.292 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 119 3.520 1.138 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.020 -0.682 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.772 0.585 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.445 -0.945 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.177 -1.190 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.600 -1.451 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.753 -0.283 -2.093 1.00 0.00 H new ATOM 1063 N ILE A 120 0.098 3.409 -2.137 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.118 4.036 -2.648 1.00 0.00 C ATOM 1065 C ILE A 120 -1.197 5.488 -2.186 1.00 0.00 C ATOM 1066 O ILE A 120 -0.798 5.823 -1.072 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.359 3.287 -2.154 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.220 1.796 -2.479 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.604 3.841 -2.850 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.366 1.023 -1.825 1.00 0.00 C ATOM 0 H ILE A 120 0.346 3.674 -1.184 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.085 3.999 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.454 3.420 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.235 1.645 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.262 1.422 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.486 3.307 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.707 4.902 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.507 3.710 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.268 -0.038 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.330 1.164 -0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.318 1.391 -2.208 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.716 6.344 -3.060 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.844 7.762 -2.738 1.00 0.00 C ATOM 1084 C LYS A 121 -3.238 8.064 -2.200 1.00 0.00 C ATOM 1085 O LYS A 121 -4.246 7.685 -2.797 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.591 8.616 -3.980 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.098 10.001 -3.557 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.265 10.611 -4.686 1.00 0.00 C ATOM 1089 CE LYS A 121 0.780 11.557 -4.094 1.00 0.00 C ATOM 1090 NZ LYS A 121 2.016 11.589 -4.926 1.00 0.00 N ATOM 0 H LYS A 121 -2.052 6.085 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.103 8.002 -1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.851 8.135 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.507 8.707 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.946 10.646 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.500 9.924 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.225 9.823 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.911 11.152 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.363 12.561 -4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.029 11.239 -3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.712 12.226 -4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 2.416 10.631 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.784 11.932 -5.880 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.283 8.753 -1.062 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.558 9.104 -0.444 1.00 0.00 C ATOM 1106 C ILE A 122 -4.867 10.581 -0.669 1.00 0.00 C ATOM 1107 O ILE A 122 -3.969 11.422 -0.695 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.519 8.827 1.063 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.030 7.390 1.318 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.920 9.010 1.656 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.970 6.375 0.652 1.00 0.00 C ATOM 0 H ILE A 122 -2.460 9.076 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.335 8.494 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.832 9.527 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.019 7.269 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.982 7.201 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.890 8.813 2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.257 10.032 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.611 8.315 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.608 5.365 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.974 6.485 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.996 6.554 -0.423 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.152 10.887 -0.830 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.575 12.266 -1.052 1.00 0.00 C ATOM 1125 C GLY A 123 -8.094 12.382 -0.991 1.00 0.00 C ATOM 1126 O GLY A 123 -8.614 12.530 0.103 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.715 12.321 -2.039 1.00 0.00 O ATOM 0 H GLY A 123 -6.911 10.206 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.126 12.915 -0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.218 12.609 -2.023 1.00 0.00 H new