USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 THR OG1 : rot 180:sc= 0.791 USER MOD Set 1.2: A 34 ASN :FLIP amide:sc= 0.871 F(o=1.1,f=1.7) USER MOD Set 2.1: A 16 THR OG1 : rot 116:sc= 0.703 USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0.572 USER MOD Single : A 11 GLN :FLIP amide:sc= -1.23! C(o=-3.1!,f=-1.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0161) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -105:sc= 1.82 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -110:sc= 1.26 (180deg=-0.186) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0.641 (180deg=0.586) USER MOD Single : A 40 GLN : amide:sc= -1.64! C(o=-1.6!,f=-2.1!) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= -1.7 (180deg=-2.38) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -8.44! C(o=-13!,f=-8.4!) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -2.38 (180deg=-3.95!) USER MOD Single : A 58 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.53) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00244 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.0991 X(o=0.099,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0264 F(o=-5.2!,f=-0.026) USER MOD Single : A 74 SER OG : rot -110:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc= -0.415 K(o=-0.41,f=-2.4!) USER MOD Single : A 99 LYS NZ :NH3+ -129:sc= -0.164 (180deg=-0.997) USER MOD Single : A 104 SER OG : rot 180:sc= -0.603 USER MOD ----------------------------------------------------------------- ATOM 164 N GLN A 11 104.199 -1.871 -0.221 1.00 0.00 N ATOM 165 CA GLN A 11 103.182 -0.937 -0.697 1.00 0.00 C ATOM 166 C GLN A 11 101.899 -1.684 -1.031 1.00 0.00 C ATOM 167 O GLN A 11 101.849 -2.911 -0.965 1.00 0.00 O ATOM 168 CB GLN A 11 103.681 -0.192 -1.937 1.00 0.00 C ATOM 169 CG GLN A 11 104.927 0.626 -1.582 1.00 0.00 C ATOM 170 CD GLN A 11 106.152 -0.281 -1.519 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.442 -1.043 -2.539 1.00 0.00 O flip ATOM 172 NE2 GLN A 11 106.861 -0.300 -0.514 1.00 0.00 N flip ATOM 0 HA GLN A 11 102.981 -0.214 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.914 -0.902 -2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 11 102.899 0.465 -2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 11 105.082 1.408 -2.326 1.00 0.00 H new ATOM 0 HG3 GLN A 11 104.784 1.123 -0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 11 106.633 0.296 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 11 107.677 -0.911 -0.477 1.00 0.00 H new ATOM 181 N ILE A 12 100.867 -0.937 -1.407 1.00 0.00 N ATOM 182 CA ILE A 12 99.591 -1.542 -1.771 1.00 0.00 C ATOM 183 C ILE A 12 98.960 -0.779 -2.925 1.00 0.00 C ATOM 184 O ILE A 12 99.411 0.311 -3.280 1.00 0.00 O ATOM 185 CB ILE A 12 98.633 -1.550 -0.575 1.00 0.00 C ATOM 186 CG1 ILE A 12 98.454 -0.121 -0.049 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.199 -2.442 0.534 1.00 0.00 C ATOM 188 CD1 ILE A 12 97.129 -0.014 0.710 1.00 0.00 C ATOM 0 H ILE A 12 100.888 0.081 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 12 99.778 -2.571 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 12 97.666 -1.941 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 12 99.283 0.142 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 12 98.468 0.587 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.515 -2.445 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.317 -3.459 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 12 100.169 -2.058 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 12 97.004 1.003 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 12 96.305 -0.258 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 12 97.133 -0.710 1.549 1.00 0.00 H new ATOM 200 N PHE A 13 97.913 -1.355 -3.499 1.00 0.00 N ATOM 201 CA PHE A 13 97.218 -0.718 -4.605 1.00 0.00 C ATOM 202 C PHE A 13 95.749 -0.552 -4.269 1.00 0.00 C ATOM 203 O PHE A 13 95.102 -1.487 -3.808 1.00 0.00 O ATOM 204 CB PHE A 13 97.376 -1.553 -5.878 1.00 0.00 C ATOM 205 CG PHE A 13 98.583 -1.069 -6.647 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.872 -1.409 -6.216 1.00 0.00 C ATOM 207 CD2 PHE A 13 98.414 -0.275 -7.787 1.00 0.00 C ATOM 208 CE1 PHE A 13 100.989 -0.954 -6.926 1.00 0.00 C ATOM 209 CE2 PHE A 13 99.532 0.179 -8.496 1.00 0.00 C ATOM 210 CZ PHE A 13 100.819 -0.161 -8.066 1.00 0.00 C ATOM 0 H PHE A 13 97.529 -2.257 -3.218 1.00 0.00 H new ATOM 0 HA PHE A 13 97.654 0.266 -4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 13 97.491 -2.607 -5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.481 -1.470 -6.494 1.00 0.00 H new ATOM 0 HD1 PHE A 13 100.004 -2.022 -5.336 1.00 0.00 H new ATOM 0 HD2 PHE A 13 97.421 -0.013 -8.120 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.983 -1.215 -6.594 1.00 0.00 H new ATOM 0 HE2 PHE A 13 99.401 0.792 -9.375 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.681 0.189 -8.614 1.00 0.00 H new ATOM 220 N ALA A 14 95.235 0.647 -4.504 1.00 0.00 N ATOM 221 CA ALA A 14 93.837 0.940 -4.228 1.00 0.00 C ATOM 222 C ALA A 14 93.144 1.392 -5.502 1.00 0.00 C ATOM 223 O ALA A 14 93.698 2.174 -6.275 1.00 0.00 O ATOM 224 CB ALA A 14 93.727 2.034 -3.164 1.00 0.00 C ATOM 0 H ALA A 14 95.765 1.431 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 14 93.354 0.036 -3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.676 2.245 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.209 1.698 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.217 2.940 -3.521 1.00 0.00 H new ATOM 230 N LYS A 15 91.930 0.901 -5.712 1.00 0.00 N ATOM 231 CA LYS A 15 91.172 1.267 -6.896 1.00 0.00 C ATOM 232 C LYS A 15 89.818 1.841 -6.510 1.00 0.00 C ATOM 233 O LYS A 15 88.982 1.149 -5.928 1.00 0.00 O ATOM 234 CB LYS A 15 90.970 0.054 -7.802 1.00 0.00 C ATOM 235 CG LYS A 15 90.409 0.520 -9.150 1.00 0.00 C ATOM 236 CD LYS A 15 91.403 0.188 -10.267 1.00 0.00 C ATOM 237 CE LYS A 15 91.287 -1.295 -10.641 1.00 0.00 C ATOM 238 NZ LYS A 15 92.646 -1.851 -10.895 1.00 0.00 N ATOM 0 H LYS A 15 91.454 0.254 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 15 91.740 2.025 -7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.916 -0.467 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.285 -0.654 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.453 0.033 -9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.221 1.593 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.204 0.809 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.419 0.412 -9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 15 90.801 -1.847 -9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 15 90.664 -1.410 -11.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 92.568 -2.857 -11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 93.094 -1.331 -11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 93.226 -1.754 -10.037 1.00 0.00 H new ATOM 252 N THR A 16 89.609 3.107 -6.848 1.00 0.00 N ATOM 253 CA THR A 16 88.349 3.766 -6.543 1.00 0.00 C ATOM 254 C THR A 16 87.208 3.082 -7.288 1.00 0.00 C ATOM 255 O THR A 16 87.439 2.282 -8.196 1.00 0.00 O ATOM 256 CB THR A 16 88.412 5.238 -6.953 1.00 0.00 C ATOM 257 OG1 THR A 16 88.675 5.328 -8.344 1.00 0.00 O ATOM 258 CG2 THR A 16 89.522 5.949 -6.174 1.00 0.00 C ATOM 0 H THR A 16 90.291 3.693 -7.330 1.00 0.00 H new ATOM 0 HA THR A 16 88.172 3.699 -5.470 1.00 0.00 H new ATOM 0 HB THR A 16 87.458 5.715 -6.729 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.912 5.747 -8.795 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.561 6.997 -6.471 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.317 5.882 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.479 5.475 -6.390 1.00 0.00 H new ATOM 266 N LEU A 17 85.978 3.409 -6.907 1.00 0.00 N ATOM 267 CA LEU A 17 84.806 2.828 -7.552 1.00 0.00 C ATOM 268 C LEU A 17 84.842 3.109 -9.053 1.00 0.00 C ATOM 269 O LEU A 17 84.541 2.236 -9.868 1.00 0.00 O ATOM 270 CB LEU A 17 83.536 3.428 -6.930 1.00 0.00 C ATOM 271 CG LEU A 17 82.276 2.703 -7.429 1.00 0.00 C ATOM 272 CD1 LEU A 17 81.967 3.106 -8.874 1.00 0.00 C ATOM 273 CD2 LEU A 17 82.477 1.186 -7.344 1.00 0.00 C ATOM 0 H LEU A 17 85.767 4.070 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 17 84.806 1.748 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.592 3.359 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.472 4.487 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 17 81.435 2.989 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.072 2.585 -9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 17 81.801 4.182 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.808 2.838 -9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 17 81.580 0.680 -7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 17 83.326 0.896 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 17 82.668 0.902 -6.309 1.00 0.00 H new ATOM 285 N THR A 18 85.216 4.337 -9.402 1.00 0.00 N ATOM 286 CA THR A 18 85.292 4.747 -10.802 1.00 0.00 C ATOM 287 C THR A 18 86.368 3.964 -11.555 1.00 0.00 C ATOM 288 O THR A 18 86.370 3.930 -12.786 1.00 0.00 O ATOM 289 CB THR A 18 85.592 6.246 -10.879 1.00 0.00 C ATOM 290 OG1 THR A 18 86.836 6.514 -10.244 1.00 0.00 O ATOM 291 CG2 THR A 18 84.476 7.025 -10.174 1.00 0.00 C ATOM 0 H THR A 18 85.471 5.066 -8.735 1.00 0.00 H new ATOM 0 HA THR A 18 84.332 4.536 -11.273 1.00 0.00 H new ATOM 0 HB THR A 18 85.646 6.554 -11.923 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.029 7.473 -10.295 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.688 8.093 -10.228 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.524 6.819 -10.663 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.422 6.718 -9.130 1.00 0.00 H new ATOM 299 N GLY A 19 87.271 3.328 -10.811 1.00 0.00 N ATOM 300 CA GLY A 19 88.338 2.538 -11.424 1.00 0.00 C ATOM 301 C GLY A 19 89.671 3.289 -11.437 1.00 0.00 C ATOM 302 O GLY A 19 90.560 2.962 -12.224 1.00 0.00 O ATOM 0 H GLY A 19 87.286 3.343 -9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.455 1.601 -10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.057 2.280 -12.445 1.00 0.00 H new ATOM 306 N LYS A 20 89.814 4.281 -10.559 1.00 0.00 N ATOM 307 CA LYS A 20 91.059 5.048 -10.485 1.00 0.00 C ATOM 308 C LYS A 20 92.087 4.280 -9.657 1.00 0.00 C ATOM 309 O LYS A 20 91.823 3.922 -8.510 1.00 0.00 O ATOM 310 CB LYS A 20 90.804 6.424 -9.854 1.00 0.00 C ATOM 311 CG LYS A 20 91.778 7.455 -10.439 1.00 0.00 C ATOM 312 CD LYS A 20 93.100 7.422 -9.664 1.00 0.00 C ATOM 313 CE LYS A 20 94.147 8.267 -10.394 1.00 0.00 C ATOM 314 NZ LYS A 20 93.816 9.712 -10.239 1.00 0.00 N ATOM 0 H LYS A 20 89.094 4.571 -9.897 1.00 0.00 H new ATOM 0 HA LYS A 20 91.443 5.194 -11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 20 89.776 6.735 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.928 6.366 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 20 91.958 7.241 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.341 8.452 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 20 92.950 7.804 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.451 6.394 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 20 95.139 8.065 -9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 20 94.173 8.000 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 94.563 10.288 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 92.907 9.912 -10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 93.746 9.946 -9.228 1.00 0.00 H new ATOM 328 N THR A 21 93.256 4.028 -10.246 1.00 0.00 N ATOM 329 CA THR A 21 94.315 3.292 -9.555 1.00 0.00 C ATOM 330 C THR A 21 95.173 4.232 -8.713 1.00 0.00 C ATOM 331 O THR A 21 95.686 5.236 -9.211 1.00 0.00 O ATOM 332 CB THR A 21 95.198 2.570 -10.579 1.00 0.00 C ATOM 333 OG1 THR A 21 94.376 1.959 -11.565 1.00 0.00 O ATOM 334 CG2 THR A 21 96.035 1.500 -9.875 1.00 0.00 C ATOM 0 H THR A 21 93.493 4.320 -11.194 1.00 0.00 H new ATOM 0 HA THR A 21 93.849 2.563 -8.893 1.00 0.00 H new ATOM 0 HB THR A 21 95.863 3.291 -11.055 1.00 0.00 H new ATOM 0 HG1 THR A 21 94.940 1.499 -12.221 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.661 0.989 -10.606 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.667 1.970 -9.121 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.374 0.778 -9.396 1.00 0.00 H new ATOM 342 N ILE A 22 95.321 3.896 -7.431 1.00 0.00 N ATOM 343 CA ILE A 22 96.114 4.710 -6.511 1.00 0.00 C ATOM 344 C ILE A 22 97.054 3.830 -5.687 1.00 0.00 C ATOM 345 O ILE A 22 96.623 2.848 -5.083 1.00 0.00 O ATOM 346 CB ILE A 22 95.188 5.483 -5.567 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.068 6.152 -6.373 1.00 0.00 C ATOM 348 CG2 ILE A 22 95.992 6.555 -4.823 1.00 0.00 C ATOM 349 CD1 ILE A 22 92.938 6.568 -5.432 1.00 0.00 C ATOM 0 H ILE A 22 94.903 3.068 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 22 96.708 5.411 -7.098 1.00 0.00 H new ATOM 0 HB ILE A 22 94.751 4.791 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.456 7.024 -6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.690 5.465 -7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.332 7.104 -4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.784 6.080 -4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.433 7.245 -5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.143 7.043 -6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.543 5.687 -4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.321 7.271 -4.692 1.00 0.00 H new ATOM 361 N THR A 23 98.335 4.191 -5.662 1.00 0.00 N ATOM 362 CA THR A 23 99.325 3.430 -4.901 1.00 0.00 C ATOM 363 C THR A 23 99.756 4.208 -3.659 1.00 0.00 C ATOM 364 O THR A 23 100.171 5.366 -3.753 1.00 0.00 O ATOM 365 CB THR A 23 100.548 3.137 -5.779 1.00 0.00 C ATOM 366 OG1 THR A 23 100.117 2.624 -7.033 1.00 0.00 O ATOM 367 CG2 THR A 23 101.446 2.107 -5.088 1.00 0.00 C ATOM 0 H THR A 23 98.711 5.000 -6.156 1.00 0.00 H new ATOM 0 HA THR A 23 98.873 2.489 -4.587 1.00 0.00 H new ATOM 0 HB THR A 23 101.110 4.058 -5.934 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.283 1.659 -7.066 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.314 1.902 -5.715 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.778 2.500 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 23 100.887 1.185 -4.929 1.00 0.00 H new ATOM 375 N LEU A 24 99.660 3.562 -2.497 1.00 0.00 N ATOM 376 CA LEU A 24 100.045 4.198 -1.239 1.00 0.00 C ATOM 377 C LEU A 24 100.948 3.276 -0.424 1.00 0.00 C ATOM 378 O LEU A 24 100.743 2.062 -0.381 1.00 0.00 O ATOM 379 CB LEU A 24 98.805 4.576 -0.414 1.00 0.00 C ATOM 380 CG LEU A 24 97.711 3.511 -0.567 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.834 3.498 0.688 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.839 3.834 -1.787 1.00 0.00 C ATOM 0 H LEU A 24 99.321 2.605 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 24 100.594 5.108 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.077 4.677 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.426 5.545 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 24 98.177 2.535 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.056 2.742 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.448 3.266 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.373 4.477 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.064 3.075 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.375 4.811 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.458 3.846 -2.684 1.00 0.00 H new ATOM 394 N GLU A 25 101.955 3.870 0.212 1.00 0.00 N ATOM 395 CA GLU A 25 102.905 3.114 1.023 1.00 0.00 C ATOM 396 C GLU A 25 102.344 2.877 2.423 1.00 0.00 C ATOM 397 O GLU A 25 102.246 3.804 3.228 1.00 0.00 O ATOM 398 CB GLU A 25 104.230 3.879 1.118 1.00 0.00 C ATOM 399 CG GLU A 25 104.734 4.223 -0.292 1.00 0.00 C ATOM 400 CD GLU A 25 103.941 5.396 -0.869 1.00 0.00 C ATOM 401 OE1 GLU A 25 103.997 6.469 -0.290 1.00 0.00 O ATOM 402 OE2 GLU A 25 103.289 5.203 -1.884 1.00 0.00 O ATOM 0 H GLU A 25 102.134 4.874 0.181 1.00 0.00 H new ATOM 0 HA GLU A 25 103.077 2.148 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.093 4.792 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.972 3.277 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.794 4.475 -0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 25 104.636 3.354 -0.943 1.00 0.00 H new ATOM 409 N VAL A 26 101.965 1.631 2.697 1.00 0.00 N ATOM 410 CA VAL A 26 101.398 1.278 3.998 1.00 0.00 C ATOM 411 C VAL A 26 102.153 0.114 4.638 1.00 0.00 C ATOM 412 O VAL A 26 103.189 -0.323 4.140 1.00 0.00 O ATOM 413 CB VAL A 26 99.917 0.905 3.835 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.204 1.973 3.001 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.802 -0.451 3.131 1.00 0.00 C ATOM 0 H VAL A 26 102.039 0.853 2.041 1.00 0.00 H new ATOM 0 HA VAL A 26 101.492 2.144 4.653 1.00 0.00 H new ATOM 0 HB VAL A 26 99.453 0.844 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.154 1.705 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.280 2.937 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.670 2.038 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.750 -0.713 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.270 -0.392 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.304 -1.214 3.727 1.00 0.00 H new ATOM 425 N GLU A 27 101.607 -0.382 5.746 1.00 0.00 N ATOM 426 CA GLU A 27 102.204 -1.504 6.465 1.00 0.00 C ATOM 427 C GLU A 27 101.365 -2.758 6.248 1.00 0.00 C ATOM 428 O GLU A 27 100.187 -2.667 5.912 1.00 0.00 O ATOM 429 CB GLU A 27 102.276 -1.191 7.964 1.00 0.00 C ATOM 430 CG GLU A 27 103.025 0.128 8.185 1.00 0.00 C ATOM 431 CD GLU A 27 104.504 -0.145 8.449 1.00 0.00 C ATOM 432 OE1 GLU A 27 105.208 -0.456 7.502 1.00 0.00 O ATOM 433 OE2 GLU A 27 104.911 -0.036 9.595 1.00 0.00 O ATOM 0 H GLU A 27 100.750 -0.023 6.166 1.00 0.00 H new ATOM 0 HA GLU A 27 103.212 -1.670 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.270 -1.122 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.783 -2.000 8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 27 102.916 0.768 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 27 102.590 0.665 9.028 1.00 0.00 H new ATOM 440 N SER A 28 101.967 -3.928 6.443 1.00 0.00 N ATOM 441 CA SER A 28 101.241 -5.184 6.261 1.00 0.00 C ATOM 442 C SER A 28 100.057 -5.267 7.221 1.00 0.00 C ATOM 443 O SER A 28 99.127 -6.043 7.004 1.00 0.00 O ATOM 444 CB SER A 28 102.179 -6.369 6.502 1.00 0.00 C ATOM 445 OG SER A 28 102.741 -6.269 7.803 1.00 0.00 O ATOM 0 H SER A 28 102.942 -4.034 6.723 1.00 0.00 H new ATOM 0 HA SER A 28 100.866 -5.218 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 28 101.632 -7.306 6.401 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.970 -6.379 5.752 1.00 0.00 H new ATOM 0 HG SER A 28 103.341 -7.028 7.960 1.00 0.00 H new ATOM 451 N SER A 29 100.123 -4.491 8.300 1.00 0.00 N ATOM 452 CA SER A 29 99.079 -4.491 9.320 1.00 0.00 C ATOM 453 C SER A 29 98.386 -3.132 9.411 1.00 0.00 C ATOM 454 O SER A 29 97.541 -2.925 10.284 1.00 0.00 O ATOM 455 CB SER A 29 99.691 -4.837 10.679 1.00 0.00 C ATOM 456 OG SER A 29 100.745 -3.926 10.966 1.00 0.00 O ATOM 0 H SER A 29 100.894 -3.851 8.491 1.00 0.00 H new ATOM 0 HA SER A 29 98.335 -5.237 9.040 1.00 0.00 H new ATOM 0 HB2 SER A 29 98.929 -4.786 11.457 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.070 -5.859 10.670 1.00 0.00 H new ATOM 0 HG SER A 29 101.138 -4.144 11.837 1.00 0.00 H new ATOM 462 N ASP A 30 98.747 -2.208 8.515 1.00 0.00 N ATOM 463 CA ASP A 30 98.149 -0.874 8.504 1.00 0.00 C ATOM 464 C ASP A 30 96.649 -0.945 8.783 1.00 0.00 C ATOM 465 O ASP A 30 95.988 -1.919 8.422 1.00 0.00 O ATOM 466 CB ASP A 30 98.385 -0.222 7.140 1.00 0.00 C ATOM 467 CG ASP A 30 98.398 1.298 7.262 1.00 0.00 C ATOM 468 OD1 ASP A 30 99.208 1.807 8.021 1.00 0.00 O ATOM 469 OD2 ASP A 30 97.601 1.932 6.588 1.00 0.00 O ATOM 0 H ASP A 30 99.449 -2.361 7.791 1.00 0.00 H new ATOM 0 HA ASP A 30 98.617 -0.278 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.333 -0.566 6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.604 -0.529 6.445 1.00 0.00 H new ATOM 474 N THR A 31 96.118 0.095 9.416 1.00 0.00 N ATOM 475 CA THR A 31 94.695 0.139 9.729 1.00 0.00 C ATOM 476 C THR A 31 93.952 0.985 8.703 1.00 0.00 C ATOM 477 O THR A 31 94.565 1.759 7.966 1.00 0.00 O ATOM 478 CB THR A 31 94.477 0.721 11.131 1.00 0.00 C ATOM 479 OG1 THR A 31 94.642 2.132 11.090 1.00 0.00 O ATOM 480 CG2 THR A 31 95.490 0.116 12.108 1.00 0.00 C ATOM 0 H THR A 31 96.646 0.913 9.720 1.00 0.00 H new ATOM 0 HA THR A 31 94.305 -0.879 9.700 1.00 0.00 H new ATOM 0 HB THR A 31 93.468 0.481 11.466 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.501 2.504 11.986 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.330 0.533 13.102 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.360 -0.966 12.143 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.501 0.349 11.775 1.00 0.00 H new ATOM 488 N ILE A 32 92.632 0.834 8.660 1.00 0.00 N ATOM 489 CA ILE A 32 91.814 1.591 7.716 1.00 0.00 C ATOM 490 C ILE A 32 92.118 3.083 7.829 1.00 0.00 C ATOM 491 O ILE A 32 92.445 3.730 6.837 1.00 0.00 O ATOM 492 CB ILE A 32 90.328 1.335 7.989 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.036 -0.172 7.902 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.473 2.077 6.957 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.599 -0.742 6.595 1.00 0.00 C ATOM 0 H ILE A 32 92.108 0.199 9.263 1.00 0.00 H new ATOM 0 HA ILE A 32 92.051 1.262 6.704 1.00 0.00 H new ATOM 0 HB ILE A 32 90.084 1.697 8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.481 -0.686 8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 32 88.961 -0.346 7.951 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.418 1.891 7.157 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.671 3.147 7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 32 89.721 1.722 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.387 -1.810 6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.134 -0.238 5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 32 91.677 -0.584 6.564 1.00 0.00 H new ATOM 507 N ASP A 33 92.010 3.620 9.043 1.00 0.00 N ATOM 508 CA ASP A 33 92.279 5.040 9.277 1.00 0.00 C ATOM 509 C ASP A 33 93.583 5.464 8.602 1.00 0.00 C ATOM 510 O ASP A 33 93.654 6.522 7.975 1.00 0.00 O ATOM 511 CB ASP A 33 92.372 5.313 10.782 1.00 0.00 C ATOM 512 CG ASP A 33 91.311 4.508 11.531 1.00 0.00 C ATOM 513 OD1 ASP A 33 91.582 3.361 11.849 1.00 0.00 O ATOM 514 OD2 ASP A 33 90.246 5.049 11.775 1.00 0.00 O ATOM 0 H ASP A 33 91.740 3.098 9.876 1.00 0.00 H new ATOM 0 HA ASP A 33 91.459 5.617 8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 33 93.364 5.048 11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.235 6.377 10.975 1.00 0.00 H new ATOM 519 N ASN A 34 94.610 4.626 8.734 1.00 0.00 N ATOM 520 CA ASN A 34 95.911 4.910 8.135 1.00 0.00 C ATOM 521 C ASN A 34 95.826 4.814 6.613 1.00 0.00 C ATOM 522 O ASN A 34 96.398 5.632 5.894 1.00 0.00 O ATOM 523 CB ASN A 34 96.948 3.915 8.665 1.00 0.00 C ATOM 524 CG ASN A 34 97.342 4.287 10.090 1.00 0.00 C ATOM 525 OD1 ASN A 34 98.513 4.814 10.317 1.00 0.00 O flip ATOM 526 ND2 ASN A 34 96.562 4.092 11.022 1.00 0.00 N flip ATOM 0 H ASN A 34 94.566 3.747 9.249 1.00 0.00 H new ATOM 0 HA ASN A 34 96.212 5.923 8.403 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.540 2.905 8.643 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.829 3.917 8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 34 95.646 3.680 10.843 1.00 0.00 H new ATOM 0 HD22 ASN A 34 96.831 4.343 11.973 1.00 0.00 H new ATOM 533 N VAL A 35 95.091 3.814 6.139 1.00 0.00 N ATOM 534 CA VAL A 35 94.913 3.616 4.704 1.00 0.00 C ATOM 535 C VAL A 35 94.140 4.794 4.111 1.00 0.00 C ATOM 536 O VAL A 35 94.535 5.364 3.089 1.00 0.00 O ATOM 537 CB VAL A 35 94.163 2.303 4.442 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.716 2.239 2.978 1.00 0.00 C ATOM 539 CG2 VAL A 35 95.090 1.119 4.740 1.00 0.00 C ATOM 0 H VAL A 35 94.611 3.130 6.724 1.00 0.00 H new ATOM 0 HA VAL A 35 95.892 3.559 4.228 1.00 0.00 H new ATOM 0 HB VAL A 35 93.286 2.258 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.185 1.304 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.055 3.079 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.590 2.289 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.559 0.185 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.967 1.172 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 35 95.404 1.156 5.783 1.00 0.00 H new ATOM 549 N LYS A 36 93.040 5.159 4.768 1.00 0.00 N ATOM 550 CA LYS A 36 92.214 6.272 4.312 1.00 0.00 C ATOM 551 C LYS A 36 93.024 7.566 4.274 1.00 0.00 C ATOM 552 O LYS A 36 93.238 8.134 3.207 1.00 0.00 O ATOM 553 CB LYS A 36 91.017 6.447 5.249 1.00 0.00 C ATOM 554 CG LYS A 36 90.141 5.191 5.215 1.00 0.00 C ATOM 555 CD LYS A 36 88.682 5.577 5.470 1.00 0.00 C ATOM 556 CE LYS A 36 88.476 5.873 6.958 1.00 0.00 C ATOM 557 NZ LYS A 36 87.024 6.075 7.226 1.00 0.00 N ATOM 0 H LYS A 36 92.702 4.701 5.615 1.00 0.00 H new ATOM 0 HA LYS A 36 91.862 6.049 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.364 6.632 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.433 7.317 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 36 90.233 4.697 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.477 4.480 5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.419 6.452 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.022 4.768 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 36 88.857 5.048 7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 36 89.037 6.763 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 86.848 7.076 7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 86.475 5.804 6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 86.735 5.487 8.033 1.00 0.00 H new ATOM 571 N SER A 37 93.468 8.031 5.442 1.00 0.00 N ATOM 572 CA SER A 37 94.251 9.263 5.517 1.00 0.00 C ATOM 573 C SER A 37 95.342 9.266 4.447 1.00 0.00 C ATOM 574 O SER A 37 95.514 10.247 3.720 1.00 0.00 O ATOM 575 CB SER A 37 94.880 9.401 6.903 1.00 0.00 C ATOM 576 OG SER A 37 95.356 10.730 7.073 1.00 0.00 O ATOM 0 H SER A 37 93.301 7.578 6.340 1.00 0.00 H new ATOM 0 HA SER A 37 93.586 10.109 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 37 94.146 9.164 7.673 1.00 0.00 H new ATOM 0 HB3 SER A 37 95.700 8.692 7.015 1.00 0.00 H new ATOM 0 HG SER A 37 95.759 10.822 7.962 1.00 0.00 H new ATOM 582 N LYS A 38 96.066 8.155 4.349 1.00 0.00 N ATOM 583 CA LYS A 38 97.127 8.034 3.354 1.00 0.00 C ATOM 584 C LYS A 38 96.595 8.434 1.981 1.00 0.00 C ATOM 585 O LYS A 38 97.307 9.042 1.182 1.00 0.00 O ATOM 586 CB LYS A 38 97.653 6.598 3.307 1.00 0.00 C ATOM 587 CG LYS A 38 98.759 6.424 4.351 1.00 0.00 C ATOM 588 CD LYS A 38 99.126 4.943 4.459 1.00 0.00 C ATOM 589 CE LYS A 38 99.813 4.673 5.799 1.00 0.00 C ATOM 590 NZ LYS A 38 101.237 5.104 5.722 1.00 0.00 N ATOM 0 H LYS A 38 95.940 7.333 4.940 1.00 0.00 H new ATOM 0 HA LYS A 38 97.946 8.698 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 38 96.842 5.896 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 38 98.039 6.373 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 38 99.635 7.008 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.424 6.799 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 38 98.229 4.330 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 38 99.787 4.662 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 38 99.302 5.211 6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 38 99.756 3.612 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 101.751 4.755 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 101.671 4.716 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 101.284 6.143 5.695 1.00 0.00 H new ATOM 604 N ILE A 39 95.331 8.100 1.724 1.00 0.00 N ATOM 605 CA ILE A 39 94.701 8.441 0.452 1.00 0.00 C ATOM 606 C ILE A 39 94.531 9.959 0.338 1.00 0.00 C ATOM 607 O ILE A 39 94.725 10.529 -0.733 1.00 0.00 O ATOM 608 CB ILE A 39 93.341 7.727 0.326 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.200 7.129 -1.082 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.182 8.702 0.580 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.255 8.239 -2.135 1.00 0.00 C ATOM 0 H ILE A 39 94.728 7.597 2.375 1.00 0.00 H new ATOM 0 HA ILE A 39 95.342 8.106 -0.364 1.00 0.00 H new ATOM 0 HB ILE A 39 93.301 6.935 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.998 6.408 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.257 6.588 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.234 8.173 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.268 9.115 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.221 9.511 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.154 7.803 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.441 8.944 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.209 8.762 -2.063 1.00 0.00 H new ATOM 623 N GLN A 40 94.153 10.604 1.444 1.00 0.00 N ATOM 624 CA GLN A 40 93.950 12.054 1.444 1.00 0.00 C ATOM 625 C GLN A 40 95.209 12.773 0.974 1.00 0.00 C ATOM 626 O GLN A 40 95.132 13.813 0.328 1.00 0.00 O ATOM 627 CB GLN A 40 93.534 12.541 2.844 1.00 0.00 C ATOM 628 CG GLN A 40 94.751 13.014 3.656 1.00 0.00 C ATOM 629 CD GLN A 40 95.032 14.489 3.379 1.00 0.00 C ATOM 630 OE1 GLN A 40 96.147 14.847 2.999 1.00 0.00 O ATOM 631 NE2 GLN A 40 94.085 15.370 3.552 1.00 0.00 N ATOM 0 H GLN A 40 93.983 10.151 2.342 1.00 0.00 H new ATOM 0 HA GLN A 40 93.145 12.288 0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.818 13.357 2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 40 93.030 11.735 3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 40 94.567 12.865 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.624 12.415 3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 40 93.162 15.071 3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 40 94.268 16.357 3.372 1.00 0.00 H new ATOM 640 N ASP A 41 96.367 12.204 1.277 1.00 0.00 N ATOM 641 CA ASP A 41 97.621 12.807 0.843 1.00 0.00 C ATOM 642 C ASP A 41 97.783 12.601 -0.662 1.00 0.00 C ATOM 643 O ASP A 41 98.541 13.310 -1.325 1.00 0.00 O ATOM 644 CB ASP A 41 98.796 12.172 1.595 1.00 0.00 C ATOM 645 CG ASP A 41 100.120 12.646 1.001 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.541 13.739 1.340 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.693 11.908 0.216 1.00 0.00 O ATOM 0 H ASP A 41 96.466 11.341 1.812 1.00 0.00 H new ATOM 0 HA ASP A 41 97.607 13.875 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.747 12.437 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.731 11.086 1.536 1.00 0.00 H new ATOM 652 N LYS A 42 97.065 11.606 -1.181 1.00 0.00 N ATOM 653 CA LYS A 42 97.119 11.268 -2.601 1.00 0.00 C ATOM 654 C LYS A 42 96.034 11.984 -3.411 1.00 0.00 C ATOM 655 O LYS A 42 96.314 12.513 -4.487 1.00 0.00 O ATOM 656 CB LYS A 42 96.958 9.752 -2.771 1.00 0.00 C ATOM 657 CG LYS A 42 98.324 9.057 -2.686 1.00 0.00 C ATOM 658 CD LYS A 42 99.150 9.642 -1.533 1.00 0.00 C ATOM 659 CE LYS A 42 100.380 8.766 -1.285 1.00 0.00 C ATOM 660 NZ LYS A 42 99.952 7.453 -0.723 1.00 0.00 N ATOM 0 H LYS A 42 96.436 11.017 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 42 98.087 11.597 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.295 9.361 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 42 96.491 9.535 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 42 98.186 7.986 -2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 42 98.861 9.181 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.458 10.659 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 42 98.543 9.698 -0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.925 8.614 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 42 101.061 9.264 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 100.766 6.985 -0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 99.207 7.605 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 99.584 6.852 -1.487 1.00 0.00 H new ATOM 674 N GLU A 43 94.792 11.972 -2.915 1.00 0.00 N ATOM 675 CA GLU A 43 93.683 12.600 -3.640 1.00 0.00 C ATOM 676 C GLU A 43 93.040 13.737 -2.842 1.00 0.00 C ATOM 677 O GLU A 43 92.030 14.299 -3.267 1.00 0.00 O ATOM 678 CB GLU A 43 92.617 11.544 -3.948 1.00 0.00 C ATOM 679 CG GLU A 43 93.143 10.565 -5.002 1.00 0.00 C ATOM 680 CD GLU A 43 92.006 9.675 -5.503 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.306 9.115 -4.675 1.00 0.00 O ATOM 682 OE2 GLU A 43 91.853 9.566 -6.710 1.00 0.00 O ATOM 0 H GLU A 43 94.532 11.541 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 43 94.089 13.023 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.353 11.005 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.708 12.026 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 43 93.579 11.115 -5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.936 9.950 -4.576 1.00 0.00 H new ATOM 689 N GLY A 44 93.625 14.081 -1.700 1.00 0.00 N ATOM 690 CA GLY A 44 93.086 15.161 -0.873 1.00 0.00 C ATOM 691 C GLY A 44 91.876 14.692 -0.069 1.00 0.00 C ATOM 692 O GLY A 44 91.707 15.071 1.090 1.00 0.00 O ATOM 0 H GLY A 44 94.463 13.635 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.858 15.523 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.801 16.000 -1.507 1.00 0.00 H new ATOM 696 N ILE A 45 91.034 13.876 -0.705 1.00 0.00 N ATOM 697 CA ILE A 45 89.825 13.356 -0.064 1.00 0.00 C ATOM 698 C ILE A 45 90.087 12.990 1.399 1.00 0.00 C ATOM 699 O ILE A 45 90.990 12.210 1.695 1.00 0.00 O ATOM 700 CB ILE A 45 89.320 12.116 -0.810 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.484 12.300 -2.328 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.843 11.893 -0.475 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.789 13.587 -2.786 1.00 0.00 C ATOM 0 H ILE A 45 91.168 13.560 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 45 89.069 14.141 -0.099 1.00 0.00 H new ATOM 0 HB ILE A 45 89.905 11.250 -0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 45 90.543 12.339 -2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.061 11.444 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.479 11.012 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.732 11.744 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.265 12.765 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 45 88.913 13.704 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 45 87.727 13.532 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 45 89.232 14.442 -2.274 1.00 0.00 H new ATOM 715 N PRO A 46 89.314 13.532 2.312 1.00 0.00 N ATOM 716 CA PRO A 46 89.476 13.249 3.766 1.00 0.00 C ATOM 717 C PRO A 46 89.065 11.819 4.121 1.00 0.00 C ATOM 718 O PRO A 46 88.109 11.284 3.558 1.00 0.00 O ATOM 719 CB PRO A 46 88.574 14.271 4.474 1.00 0.00 C ATOM 720 CG PRO A 46 87.929 15.110 3.412 1.00 0.00 C ATOM 721 CD PRO A 46 88.207 14.461 2.057 1.00 0.00 C ATOM 0 HA PRO A 46 90.519 13.335 4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.819 13.765 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 46 89.158 14.893 5.153 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.855 15.183 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 46 88.326 16.125 3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.328 13.937 1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.479 15.206 1.309 1.00 0.00 H new ATOM 729 N PRO A 47 89.773 11.199 5.035 1.00 0.00 N ATOM 730 CA PRO A 47 89.482 9.803 5.467 1.00 0.00 C ATOM 731 C PRO A 47 88.024 9.618 5.890 1.00 0.00 C ATOM 732 O PRO A 47 87.405 8.600 5.581 1.00 0.00 O ATOM 733 CB PRO A 47 90.421 9.545 6.654 1.00 0.00 C ATOM 734 CG PRO A 47 91.213 10.795 6.883 1.00 0.00 C ATOM 735 CD PRO A 47 90.928 11.768 5.740 1.00 0.00 C ATOM 0 HA PRO A 47 89.640 9.103 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.850 9.285 7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.083 8.705 6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.943 11.244 7.839 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.278 10.566 6.928 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.707 12.766 6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.788 11.861 5.077 1.00 0.00 H new ATOM 743 N ASP A 48 87.486 10.609 6.598 1.00 0.00 N ATOM 744 CA ASP A 48 86.100 10.547 7.064 1.00 0.00 C ATOM 745 C ASP A 48 85.133 10.493 5.883 1.00 0.00 C ATOM 746 O ASP A 48 83.996 10.042 6.020 1.00 0.00 O ATOM 747 CB ASP A 48 85.781 11.771 7.929 1.00 0.00 C ATOM 748 CG ASP A 48 86.300 13.039 7.255 1.00 0.00 C ATOM 749 OD1 ASP A 48 85.645 13.511 6.339 1.00 0.00 O ATOM 750 OD2 ASP A 48 87.344 13.519 7.663 1.00 0.00 O ATOM 0 H ASP A 48 87.984 11.460 6.861 1.00 0.00 H new ATOM 0 HA ASP A 48 85.981 9.640 7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.705 11.846 8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 48 86.237 11.660 8.913 1.00 0.00 H new ATOM 755 N GLN A 49 85.599 10.960 4.729 1.00 0.00 N ATOM 756 CA GLN A 49 84.779 10.968 3.521 1.00 0.00 C ATOM 757 C GLN A 49 85.092 9.753 2.650 1.00 0.00 C ATOM 758 O GLN A 49 84.368 9.456 1.700 1.00 0.00 O ATOM 759 CB GLN A 49 85.043 12.250 2.725 1.00 0.00 C ATOM 760 CG GLN A 49 83.834 12.573 1.845 1.00 0.00 C ATOM 761 CD GLN A 49 84.127 13.803 0.993 1.00 0.00 C ATOM 762 OE1 GLN A 49 84.761 13.694 -0.058 1.00 0.00 O ATOM 763 NE2 GLN A 49 83.703 14.973 1.384 1.00 0.00 N ATOM 0 H GLN A 49 86.538 11.337 4.604 1.00 0.00 H new ATOM 0 HA GLN A 49 83.730 10.928 3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.240 13.078 3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.932 12.128 2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 49 83.602 11.722 1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 49 82.957 12.751 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 49 83.178 15.061 2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 49 83.896 15.800 0.819 1.00 0.00 H new ATOM 772 N GLN A 50 86.182 9.062 2.974 1.00 0.00 N ATOM 773 CA GLN A 50 86.589 7.888 2.206 1.00 0.00 C ATOM 774 C GLN A 50 86.154 6.596 2.889 1.00 0.00 C ATOM 775 O GLN A 50 86.320 6.433 4.098 1.00 0.00 O ATOM 776 CB GLN A 50 88.111 7.881 2.037 1.00 0.00 C ATOM 777 CG GLN A 50 88.531 9.001 1.083 1.00 0.00 C ATOM 778 CD GLN A 50 88.621 8.471 -0.345 1.00 0.00 C ATOM 779 OE1 GLN A 50 87.662 7.721 -0.816 1.00 0.00 O flip ATOM 780 NE2 GLN A 50 89.590 8.747 -1.053 1.00 0.00 N flip ATOM 0 H GLN A 50 86.795 9.292 3.756 1.00 0.00 H new ATOM 0 HA GLN A 50 86.104 7.942 1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 50 88.594 8.015 3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 50 88.439 6.917 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 50 87.811 9.818 1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 50 89.495 9.407 1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 50 90.340 9.333 -0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 50 89.643 8.390 -2.007 1.00 0.00 H new ATOM 789 N ARG A 51 85.608 5.677 2.096 1.00 0.00 N ATOM 790 CA ARG A 51 85.163 4.387 2.604 1.00 0.00 C ATOM 791 C ARG A 51 85.973 3.276 1.938 1.00 0.00 C ATOM 792 O ARG A 51 86.430 3.435 0.806 1.00 0.00 O ATOM 793 CB ARG A 51 83.676 4.209 2.301 1.00 0.00 C ATOM 794 CG ARG A 51 83.164 2.928 2.957 1.00 0.00 C ATOM 795 CD ARG A 51 81.680 3.085 3.294 1.00 0.00 C ATOM 796 NE ARG A 51 81.496 3.293 4.729 1.00 0.00 N ATOM 797 CZ ARG A 51 82.110 2.524 5.625 1.00 0.00 C ATOM 798 NH1 ARG A 51 81.846 1.247 5.679 1.00 0.00 N ATOM 799 NH2 ARG A 51 82.977 3.047 6.447 1.00 0.00 N ATOM 0 H ARG A 51 85.464 5.805 1.094 1.00 0.00 H new ATOM 0 HA ARG A 51 85.314 4.341 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.115 5.067 2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.518 4.165 1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.308 2.081 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 51 83.733 2.718 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 51 81.264 3.928 2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.134 2.196 2.977 1.00 0.00 H new ATOM 0 HE ARG A 51 80.884 4.043 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 51 81.169 0.838 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 51 82.317 0.658 6.366 1.00 0.00 H new ATOM 0 HH21 ARG A 51 83.184 4.045 6.403 1.00 0.00 H new ATOM 0 HH22 ARG A 51 83.448 2.458 7.134 1.00 0.00 H new ATOM 813 N LEU A 52 86.166 2.160 2.643 1.00 0.00 N ATOM 814 CA LEU A 52 86.943 1.051 2.092 1.00 0.00 C ATOM 815 C LEU A 52 86.130 -0.242 2.074 1.00 0.00 C ATOM 816 O LEU A 52 85.732 -0.752 3.122 1.00 0.00 O ATOM 817 CB LEU A 52 88.213 0.840 2.932 1.00 0.00 C ATOM 818 CG LEU A 52 89.466 1.061 2.074 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.436 0.136 0.851 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.524 2.522 1.613 1.00 0.00 C ATOM 0 H LEU A 52 85.801 2.002 3.582 1.00 0.00 H new ATOM 0 HA LEU A 52 87.210 1.304 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.217 1.529 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.220 -0.169 3.344 1.00 0.00 H new ATOM 0 HG LEU A 52 90.349 0.833 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.329 0.300 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.407 -0.902 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.550 0.352 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.415 2.676 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.637 2.753 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.562 3.177 2.483 1.00 0.00 H new ATOM 832 N ILE A 53 85.904 -0.773 0.873 1.00 0.00 N ATOM 833 CA ILE A 53 85.157 -2.019 0.709 1.00 0.00 C ATOM 834 C ILE A 53 86.070 -3.079 0.097 1.00 0.00 C ATOM 835 O ILE A 53 86.690 -2.846 -0.941 1.00 0.00 O ATOM 836 CB ILE A 53 83.933 -1.785 -0.197 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.694 -1.515 0.667 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.670 -3.022 -1.068 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.927 -0.279 1.540 1.00 0.00 C ATOM 0 H ILE A 53 86.228 -0.359 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 53 84.808 -2.363 1.683 1.00 0.00 H new ATOM 0 HB ILE A 53 84.135 -0.927 -0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.822 -1.362 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.482 -2.380 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.802 -2.842 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 53 84.542 -3.220 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 53 83.479 -3.884 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.044 -0.093 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.787 -0.448 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.117 0.585 0.904 1.00 0.00 H new ATOM 851 N TRP A 54 86.161 -4.237 0.746 1.00 0.00 N ATOM 852 CA TRP A 54 87.016 -5.307 0.245 1.00 0.00 C ATOM 853 C TRP A 54 86.403 -6.676 0.538 1.00 0.00 C ATOM 854 O TRP A 54 85.843 -6.903 1.612 1.00 0.00 O ATOM 855 CB TRP A 54 88.400 -5.202 0.892 1.00 0.00 C ATOM 856 CG TRP A 54 89.384 -6.022 0.119 1.00 0.00 C ATOM 857 CD1 TRP A 54 89.970 -5.649 -1.043 1.00 0.00 C ATOM 858 CD2 TRP A 54 89.907 -7.342 0.435 1.00 0.00 C ATOM 859 NE1 TRP A 54 90.819 -6.659 -1.459 1.00 0.00 N ATOM 860 CE2 TRP A 54 90.815 -7.725 -0.581 1.00 0.00 C ATOM 861 CE3 TRP A 54 89.683 -8.237 1.496 1.00 0.00 C ATOM 862 CZ2 TRP A 54 91.476 -8.954 -0.545 1.00 0.00 C ATOM 863 CZ3 TRP A 54 90.346 -9.472 1.535 1.00 0.00 C ATOM 864 CH2 TRP A 54 91.241 -9.830 0.518 1.00 0.00 C ATOM 0 H TRP A 54 85.661 -4.456 1.608 1.00 0.00 H new ATOM 0 HA TRP A 54 87.110 -5.201 -0.836 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.721 -4.161 0.918 1.00 0.00 H new ATOM 0 HB3 TRP A 54 88.356 -5.548 1.925 1.00 0.00 H new ATOM 0 HD1 TRP A 54 89.802 -4.716 -1.560 1.00 0.00 H new ATOM 0 HE1 TRP A 54 91.380 -6.621 -2.310 1.00 0.00 H new ATOM 0 HE3 TRP A 54 88.996 -7.972 2.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 92.163 -9.226 -1.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 90.166 -10.152 2.354 1.00 0.00 H new ATOM 0 HH2 TRP A 54 91.749 -10.782 0.556 1.00 0.00 H new ATOM 875 N ALA A 55 86.518 -7.579 -0.435 1.00 0.00 N ATOM 876 CA ALA A 55 85.982 -8.935 -0.308 1.00 0.00 C ATOM 877 C ALA A 55 84.478 -8.914 -0.036 1.00 0.00 C ATOM 878 O ALA A 55 83.997 -9.542 0.909 1.00 0.00 O ATOM 879 CB ALA A 55 86.703 -9.689 0.814 1.00 0.00 C ATOM 0 H ALA A 55 86.980 -7.395 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 55 86.151 -9.450 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 55 86.294 -10.696 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 55 87.768 -9.747 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 55 86.561 -9.161 1.757 1.00 0.00 H new ATOM 885 N GLY A 56 83.738 -8.209 -0.890 1.00 0.00 N ATOM 886 CA GLY A 56 82.284 -8.127 -0.762 1.00 0.00 C ATOM 887 C GLY A 56 81.840 -7.607 0.608 1.00 0.00 C ATOM 888 O GLY A 56 80.642 -7.539 0.883 1.00 0.00 O ATOM 0 H GLY A 56 84.121 -7.686 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 56 81.891 -7.472 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 56 81.852 -9.114 -0.929 1.00 0.00 H new ATOM 892 N LYS A 57 82.797 -7.257 1.465 1.00 0.00 N ATOM 893 CA LYS A 57 82.469 -6.764 2.802 1.00 0.00 C ATOM 894 C LYS A 57 83.040 -5.366 3.030 1.00 0.00 C ATOM 895 O LYS A 57 84.132 -5.046 2.562 1.00 0.00 O ATOM 896 CB LYS A 57 83.031 -7.722 3.858 1.00 0.00 C ATOM 897 CG LYS A 57 82.294 -7.520 5.187 1.00 0.00 C ATOM 898 CD LYS A 57 83.254 -7.766 6.357 1.00 0.00 C ATOM 899 CE LYS A 57 83.426 -9.271 6.581 1.00 0.00 C ATOM 900 NZ LYS A 57 84.416 -9.501 7.671 1.00 0.00 N ATOM 0 H LYS A 57 83.795 -7.304 1.261 1.00 0.00 H new ATOM 0 HA LYS A 57 81.384 -6.711 2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 57 82.920 -8.753 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 57 84.098 -7.544 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.893 -6.508 5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 57 81.446 -8.202 5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 57 84.221 -7.308 6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 57 82.867 -7.297 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.469 -9.722 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 57 83.763 -9.750 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 84.249 -10.433 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 85.378 -9.469 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 84.313 -8.762 8.395 1.00 0.00 H new ATOM 914 N GLN A 58 82.294 -4.546 3.766 1.00 0.00 N ATOM 915 CA GLN A 58 82.736 -3.188 4.070 1.00 0.00 C ATOM 916 C GLN A 58 83.751 -3.222 5.207 1.00 0.00 C ATOM 917 O GLN A 58 83.450 -3.698 6.302 1.00 0.00 O ATOM 918 CB GLN A 58 81.541 -2.320 4.481 1.00 0.00 C ATOM 919 CG GLN A 58 80.465 -2.363 3.391 1.00 0.00 C ATOM 920 CD GLN A 58 79.185 -1.709 3.902 1.00 0.00 C ATOM 921 OE1 GLN A 58 79.027 -0.492 3.802 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.257 -2.447 4.447 1.00 0.00 N ATOM 0 H GLN A 58 81.387 -4.796 4.160 1.00 0.00 H new ATOM 0 HA GLN A 58 83.196 -2.761 3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.129 -2.677 5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.866 -1.292 4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.817 -1.846 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.267 -3.396 3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 58 78.390 -3.455 4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.399 -2.016 4.791 1.00 0.00 H new ATOM 931 N LEU A 59 84.956 -2.724 4.942 1.00 0.00 N ATOM 932 CA LEU A 59 86.006 -2.716 5.957 1.00 0.00 C ATOM 933 C LEU A 59 85.698 -1.698 7.052 1.00 0.00 C ATOM 934 O LEU A 59 85.475 -0.519 6.770 1.00 0.00 O ATOM 935 CB LEU A 59 87.357 -2.380 5.318 1.00 0.00 C ATOM 936 CG LEU A 59 87.712 -3.428 4.257 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.891 -2.927 3.417 1.00 0.00 C ATOM 938 CD2 LEU A 59 88.097 -4.743 4.942 1.00 0.00 C ATOM 0 H LEU A 59 85.228 -2.325 4.044 1.00 0.00 H new ATOM 0 HA LEU A 59 86.050 -3.710 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.317 -1.390 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 59 88.132 -2.349 6.083 1.00 0.00 H new ATOM 0 HG LEU A 59 86.850 -3.594 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 59 89.143 -3.672 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.617 -1.993 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.753 -2.759 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.349 -5.487 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.958 -4.577 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 59 87.258 -5.102 5.538 1.00 0.00 H new ATOM 950 N GLU A 60 85.697 -2.161 8.300 1.00 0.00 N ATOM 951 CA GLU A 60 85.427 -1.285 9.435 1.00 0.00 C ATOM 952 C GLU A 60 86.699 -0.537 9.830 1.00 0.00 C ATOM 953 O GLU A 60 87.785 -1.108 9.824 1.00 0.00 O ATOM 954 CB GLU A 60 84.921 -2.106 10.629 1.00 0.00 C ATOM 955 CG GLU A 60 83.435 -1.812 10.873 1.00 0.00 C ATOM 956 CD GLU A 60 83.113 -1.953 12.359 1.00 0.00 C ATOM 957 OE1 GLU A 60 83.028 -3.078 12.824 1.00 0.00 O ATOM 958 OE2 GLU A 60 82.956 -0.933 13.010 1.00 0.00 O ATOM 0 H GLU A 60 85.879 -3.133 8.549 1.00 0.00 H new ATOM 0 HA GLU A 60 84.660 -0.566 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.063 -3.169 10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.500 -1.863 11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 60 83.195 -0.804 10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 60 82.820 -2.499 10.292 1.00 0.00 H new ATOM 965 N ASP A 61 86.552 0.745 10.148 1.00 0.00 N ATOM 966 CA ASP A 61 87.690 1.585 10.527 1.00 0.00 C ATOM 967 C ASP A 61 88.626 0.876 11.511 1.00 0.00 C ATOM 968 O ASP A 61 89.809 1.211 11.599 1.00 0.00 O ATOM 969 CB ASP A 61 87.183 2.883 11.158 1.00 0.00 C ATOM 970 CG ASP A 61 86.291 3.626 10.168 1.00 0.00 C ATOM 971 OD1 ASP A 61 86.830 4.259 9.275 1.00 0.00 O ATOM 972 OD2 ASP A 61 85.082 3.546 10.312 1.00 0.00 O ATOM 0 H ASP A 61 85.654 1.229 10.152 1.00 0.00 H new ATOM 0 HA ASP A 61 88.257 1.799 9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 61 86.626 2.662 12.068 1.00 0.00 H new ATOM 0 HB3 ASP A 61 88.026 3.512 11.445 1.00 0.00 H new ATOM 977 N GLY A 62 88.093 -0.091 12.255 1.00 0.00 N ATOM 978 CA GLY A 62 88.894 -0.824 13.236 1.00 0.00 C ATOM 979 C GLY A 62 89.589 -2.039 12.617 1.00 0.00 C ATOM 980 O GLY A 62 90.226 -2.821 13.326 1.00 0.00 O ATOM 0 H GLY A 62 87.118 -0.384 12.199 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.643 -0.157 13.664 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.254 -1.151 14.055 1.00 0.00 H new ATOM 984 N ARG A 63 89.462 -2.198 11.302 1.00 0.00 N ATOM 985 CA ARG A 63 90.081 -3.330 10.610 1.00 0.00 C ATOM 986 C ARG A 63 91.554 -3.058 10.314 1.00 0.00 C ATOM 987 O ARG A 63 91.969 -1.905 10.180 1.00 0.00 O ATOM 988 CB ARG A 63 89.346 -3.611 9.295 1.00 0.00 C ATOM 989 CG ARG A 63 87.981 -4.241 9.586 1.00 0.00 C ATOM 990 CD ARG A 63 88.149 -5.739 9.856 1.00 0.00 C ATOM 991 NE ARG A 63 86.843 -6.376 9.991 1.00 0.00 N ATOM 992 CZ ARG A 63 86.451 -7.330 9.153 1.00 0.00 C ATOM 993 NH1 ARG A 63 86.002 -7.016 7.968 1.00 0.00 N ATOM 994 NH2 ARG A 63 86.511 -8.582 9.517 1.00 0.00 N ATOM 0 H ARG A 63 88.941 -1.564 10.696 1.00 0.00 H new ATOM 0 HA ARG A 63 90.011 -4.198 11.265 1.00 0.00 H new ATOM 0 HB2 ARG A 63 89.217 -2.685 8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.940 -4.280 8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 63 87.522 -3.756 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 63 87.311 -4.087 8.740 1.00 0.00 H new ATOM 0 HD2 ARG A 63 88.705 -6.203 9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 63 88.731 -5.889 10.765 1.00 0.00 H new ATOM 0 HE ARG A 63 86.219 -6.083 10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 63 85.952 -6.037 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.701 -7.749 7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.859 -8.828 10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.210 -9.315 8.874 1.00 0.00 H new ATOM 1008 N THR A 64 92.334 -4.134 10.211 1.00 0.00 N ATOM 1009 CA THR A 64 93.763 -4.021 9.926 1.00 0.00 C ATOM 1010 C THR A 64 94.099 -4.680 8.592 1.00 0.00 C ATOM 1011 O THR A 64 93.279 -5.395 8.015 1.00 0.00 O ATOM 1012 CB THR A 64 94.575 -4.690 11.041 1.00 0.00 C ATOM 1013 OG1 THR A 64 94.077 -6.001 11.271 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.464 -3.868 12.327 1.00 0.00 C ATOM 0 H THR A 64 92.001 -5.092 10.321 1.00 0.00 H new ATOM 0 HA THR A 64 94.018 -2.963 9.873 1.00 0.00 H new ATOM 0 HB THR A 64 95.621 -4.746 10.739 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.598 -6.428 11.983 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.043 -4.348 13.116 1.00 0.00 H new ATOM 0 HG22 THR A 64 94.851 -2.864 12.152 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.419 -3.806 12.630 1.00 0.00 H new ATOM 1022 N LEU A 65 95.313 -4.433 8.109 1.00 0.00 N ATOM 1023 CA LEU A 65 95.759 -5.005 6.843 1.00 0.00 C ATOM 1024 C LEU A 65 96.107 -6.481 7.026 1.00 0.00 C ATOM 1025 O LEU A 65 95.772 -7.321 6.188 1.00 0.00 O ATOM 1026 CB LEU A 65 96.987 -4.232 6.327 1.00 0.00 C ATOM 1027 CG LEU A 65 96.560 -3.154 5.315 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.787 -2.642 4.557 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.558 -3.733 4.306 1.00 0.00 C ATOM 0 H LEU A 65 96.003 -3.843 8.573 1.00 0.00 H new ATOM 0 HA LEU A 65 94.954 -4.924 6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.509 -3.767 7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.688 -4.922 5.858 1.00 0.00 H new ATOM 0 HG LEU A 65 96.090 -2.335 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.480 -1.879 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.498 -2.213 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.258 -3.469 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.266 -2.958 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 65 96.020 -4.561 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.675 -4.092 4.835 1.00 0.00 H new ATOM 1041 N SER A 66 96.781 -6.782 8.131 1.00 0.00 N ATOM 1042 CA SER A 66 97.183 -8.152 8.438 1.00 0.00 C ATOM 1043 C SER A 66 95.984 -8.997 8.866 1.00 0.00 C ATOM 1044 O SER A 66 96.090 -10.219 8.984 1.00 0.00 O ATOM 1045 CB SER A 66 98.228 -8.145 9.556 1.00 0.00 C ATOM 1046 OG SER A 66 97.723 -7.418 10.670 1.00 0.00 O ATOM 0 H SER A 66 97.061 -6.095 8.831 1.00 0.00 H new ATOM 0 HA SER A 66 97.608 -8.591 7.536 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.467 -9.166 9.852 1.00 0.00 H new ATOM 0 HB3 SER A 66 99.153 -7.692 9.201 1.00 0.00 H new ATOM 0 HG SER A 66 98.390 -7.414 11.388 1.00 0.00 H new ATOM 1052 N ASP A 67 94.844 -8.343 9.092 1.00 0.00 N ATOM 1053 CA ASP A 67 93.635 -9.054 9.500 1.00 0.00 C ATOM 1054 C ASP A 67 93.350 -10.201 8.530 1.00 0.00 C ATOM 1055 O ASP A 67 93.347 -11.370 8.918 1.00 0.00 O ATOM 1056 CB ASP A 67 92.442 -8.090 9.530 1.00 0.00 C ATOM 1057 CG ASP A 67 91.518 -8.429 10.695 1.00 0.00 C ATOM 1058 OD1 ASP A 67 90.872 -9.464 10.634 1.00 0.00 O ATOM 1059 OD2 ASP A 67 91.466 -7.648 11.632 1.00 0.00 O ATOM 0 H ASP A 67 94.734 -7.333 9.000 1.00 0.00 H new ATOM 0 HA ASP A 67 93.787 -9.462 10.499 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.797 -7.064 9.625 1.00 0.00 H new ATOM 0 HB3 ASP A 67 91.892 -8.151 8.591 1.00 0.00 H new ATOM 1064 N TYR A 68 93.118 -9.849 7.270 1.00 0.00 N ATOM 1065 CA TYR A 68 92.838 -10.845 6.238 1.00 0.00 C ATOM 1066 C TYR A 68 94.140 -11.356 5.620 1.00 0.00 C ATOM 1067 O TYR A 68 94.118 -12.145 4.675 1.00 0.00 O ATOM 1068 CB TYR A 68 91.958 -10.230 5.145 1.00 0.00 C ATOM 1069 CG TYR A 68 91.065 -11.293 4.544 1.00 0.00 C ATOM 1070 CD1 TYR A 68 89.819 -11.567 5.119 1.00 0.00 C ATOM 1071 CD2 TYR A 68 91.483 -12.003 3.410 1.00 0.00 C ATOM 1072 CE1 TYR A 68 88.991 -12.550 4.563 1.00 0.00 C ATOM 1073 CE2 TYR A 68 90.654 -12.985 2.854 1.00 0.00 C ATOM 1074 CZ TYR A 68 89.409 -13.257 3.430 1.00 0.00 C ATOM 1075 OH TYR A 68 88.592 -14.225 2.882 1.00 0.00 O ATOM 0 H TYR A 68 93.118 -8.885 6.938 1.00 0.00 H new ATOM 0 HA TYR A 68 92.314 -11.683 6.698 1.00 0.00 H new ATOM 0 HB2 TYR A 68 91.351 -9.427 5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.583 -9.787 4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 68 89.496 -11.020 5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 68 92.444 -11.793 2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.030 -12.762 5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 68 90.976 -13.532 1.980 1.00 0.00 H new ATOM 0 HH TYR A 68 89.031 -14.619 2.100 1.00 0.00 H new ATOM 1085 N ASN A 69 95.270 -10.886 6.151 1.00 0.00 N ATOM 1086 CA ASN A 69 96.580 -11.283 5.638 1.00 0.00 C ATOM 1087 C ASN A 69 96.840 -10.596 4.299 1.00 0.00 C ATOM 1088 O ASN A 69 97.570 -11.111 3.450 1.00 0.00 O ATOM 1089 CB ASN A 69 96.653 -12.807 5.471 1.00 0.00 C ATOM 1090 CG ASN A 69 98.069 -13.299 5.754 1.00 0.00 C ATOM 1091 OD1 ASN A 69 98.381 -13.681 6.882 1.00 0.00 O ATOM 1092 ND2 ASN A 69 98.951 -13.311 4.792 1.00 0.00 N ATOM 0 H ASN A 69 95.304 -10.232 6.933 1.00 0.00 H new ATOM 0 HA ASN A 69 97.344 -10.977 6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 69 95.950 -13.289 6.150 1.00 0.00 H new ATOM 0 HB3 ASN A 69 96.359 -13.084 4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 69 99.900 -13.637 4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.691 -12.994 3.858 1.00 0.00 H new ATOM 1099 N ILE A 70 96.227 -9.427 4.128 1.00 0.00 N ATOM 1100 CA ILE A 70 96.378 -8.654 2.898 1.00 0.00 C ATOM 1101 C ILE A 70 97.852 -8.370 2.622 1.00 0.00 C ATOM 1102 O ILE A 70 98.500 -7.626 3.359 1.00 0.00 O ATOM 1103 CB ILE A 70 95.609 -7.332 3.013 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.111 -7.623 3.172 1.00 0.00 C ATOM 1105 CG2 ILE A 70 95.833 -6.493 1.750 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.396 -6.379 3.707 1.00 0.00 C ATOM 0 H ILE A 70 95.621 -8.995 4.825 1.00 0.00 H new ATOM 0 HA ILE A 70 95.973 -9.237 2.071 1.00 0.00 H new ATOM 0 HB ILE A 70 95.968 -6.781 3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 70 93.684 -7.915 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 70 93.964 -8.460 3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.285 -5.554 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 70 96.897 -6.283 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 70 95.477 -7.044 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.332 -6.590 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.815 -6.107 4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.531 -5.553 3.008 1.00 0.00 H new ATOM 1118 N GLN A 71 98.370 -8.968 1.551 1.00 0.00 N ATOM 1119 CA GLN A 71 99.767 -8.777 1.173 1.00 0.00 C ATOM 1120 C GLN A 71 99.984 -7.357 0.644 1.00 0.00 C ATOM 1121 O GLN A 71 99.287 -6.426 1.047 1.00 0.00 O ATOM 1122 CB GLN A 71 100.155 -9.807 0.104 1.00 0.00 C ATOM 1123 CG GLN A 71 101.651 -10.123 0.208 1.00 0.00 C ATOM 1124 CD GLN A 71 102.215 -10.450 -1.173 1.00 0.00 C ATOM 1125 OE1 GLN A 71 102.101 -9.579 -2.138 1.00 0.00 O flip ATOM 1126 NE2 GLN A 71 102.774 -11.528 -1.375 1.00 0.00 N flip ATOM 0 H GLN A 71 97.845 -9.586 0.932 1.00 0.00 H new ATOM 0 HA GLN A 71 100.397 -8.918 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 71 99.571 -10.718 0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 71 99.924 -9.420 -0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 71 102.182 -9.272 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 71 101.807 -10.965 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 71 102.862 -12.207 -0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 71 103.150 -11.742 -2.299 1.00 0.00 H new ATOM 1135 N ARG A 72 100.947 -7.197 -0.263 1.00 0.00 N ATOM 1136 CA ARG A 72 101.234 -5.884 -0.837 1.00 0.00 C ATOM 1137 C ARG A 72 100.586 -5.752 -2.213 1.00 0.00 C ATOM 1138 O ARG A 72 100.064 -4.695 -2.563 1.00 0.00 O ATOM 1139 CB ARG A 72 102.748 -5.665 -0.952 1.00 0.00 C ATOM 1140 CG ARG A 72 103.417 -6.906 -1.549 1.00 0.00 C ATOM 1141 CD ARG A 72 104.922 -6.661 -1.692 1.00 0.00 C ATOM 1142 NE ARG A 72 105.182 -5.657 -2.720 1.00 0.00 N ATOM 1143 CZ ARG A 72 105.442 -4.391 -2.399 1.00 0.00 C ATOM 1144 NH1 ARG A 72 106.553 -4.085 -1.787 1.00 0.00 N ATOM 1145 NH2 ARG A 72 104.585 -3.456 -2.700 1.00 0.00 N ATOM 0 H ARG A 72 101.536 -7.952 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 72 100.819 -5.124 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 72 102.951 -4.796 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.168 -5.454 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.238 -7.771 -0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 72 102.981 -7.134 -2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.334 -6.329 -0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.425 -7.593 -1.950 1.00 0.00 H new ATOM 0 HE ARG A 72 105.164 -5.931 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 72 107.225 -4.816 -1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 72 106.750 -3.115 -1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 72 103.717 -3.695 -3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 72 104.782 -2.486 -2.455 1.00 0.00 H new ATOM 1159 N GLU A 73 100.618 -6.836 -2.985 1.00 0.00 N ATOM 1160 CA GLU A 73 100.025 -6.835 -4.318 1.00 0.00 C ATOM 1161 C GLU A 73 98.520 -7.071 -4.227 1.00 0.00 C ATOM 1162 O GLU A 73 97.984 -7.991 -4.848 1.00 0.00 O ATOM 1163 CB GLU A 73 100.671 -7.928 -5.176 1.00 0.00 C ATOM 1164 CG GLU A 73 102.136 -7.574 -5.444 1.00 0.00 C ATOM 1165 CD GLU A 73 102.790 -8.671 -6.280 1.00 0.00 C ATOM 1166 OE1 GLU A 73 102.702 -8.595 -7.495 1.00 0.00 O ATOM 1167 OE2 GLU A 73 103.367 -9.571 -5.693 1.00 0.00 O ATOM 0 H GLU A 73 101.046 -7.721 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 73 100.202 -5.864 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.606 -8.890 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.133 -8.030 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.199 -6.620 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.669 -7.456 -4.501 1.00 0.00 H new ATOM 1174 N SER A 74 97.843 -6.233 -3.442 1.00 0.00 N ATOM 1175 CA SER A 74 96.398 -6.353 -3.264 1.00 0.00 C ATOM 1176 C SER A 74 95.677 -5.133 -3.834 1.00 0.00 C ATOM 1177 O SER A 74 96.206 -4.018 -3.806 1.00 0.00 O ATOM 1178 CB SER A 74 96.069 -6.491 -1.776 1.00 0.00 C ATOM 1179 OG SER A 74 96.709 -5.446 -1.053 1.00 0.00 O ATOM 0 H SER A 74 98.271 -5.467 -2.922 1.00 0.00 H new ATOM 0 HA SER A 74 96.059 -7.240 -3.800 1.00 0.00 H new ATOM 0 HB2 SER A 74 94.991 -6.446 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 74 96.402 -7.461 -1.407 1.00 0.00 H new ATOM 0 HG SER A 74 97.432 -5.821 -0.508 1.00 0.00 H new ATOM 1185 N THR A 75 94.462 -5.360 -4.337 1.00 0.00 N ATOM 1186 CA THR A 75 93.656 -4.283 -4.904 1.00 0.00 C ATOM 1187 C THR A 75 92.628 -3.806 -3.882 1.00 0.00 C ATOM 1188 O THR A 75 91.568 -4.410 -3.717 1.00 0.00 O ATOM 1189 CB THR A 75 92.941 -4.770 -6.172 1.00 0.00 C ATOM 1190 OG1 THR A 75 93.906 -5.219 -7.114 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.127 -3.623 -6.780 1.00 0.00 C ATOM 0 H THR A 75 94.018 -6.278 -4.362 1.00 0.00 H new ATOM 0 HA THR A 75 94.313 -3.453 -5.164 1.00 0.00 H new ATOM 0 HB THR A 75 92.270 -5.590 -5.917 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.452 -5.532 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.621 -3.973 -7.680 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.386 -3.280 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 75 92.794 -2.799 -7.036 1.00 0.00 H new ATOM 1199 N LEU A 76 92.959 -2.717 -3.197 1.00 0.00 N ATOM 1200 CA LEU A 76 92.076 -2.151 -2.186 1.00 0.00 C ATOM 1201 C LEU A 76 90.955 -1.350 -2.841 1.00 0.00 C ATOM 1202 O LEU A 76 91.133 -0.180 -3.184 1.00 0.00 O ATOM 1203 CB LEU A 76 92.884 -1.239 -1.254 1.00 0.00 C ATOM 1204 CG LEU A 76 93.226 -1.988 0.040 1.00 0.00 C ATOM 1205 CD1 LEU A 76 94.458 -2.871 -0.185 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.521 -0.974 1.149 1.00 0.00 C ATOM 0 H LEU A 76 93.834 -2.208 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 76 91.633 -2.965 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.799 -0.916 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.312 -0.340 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 76 92.382 -2.614 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 76 94.698 -3.402 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 76 94.249 -3.592 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 76 95.304 -2.248 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.764 -1.503 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 76 94.364 -0.349 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.644 -0.347 1.311 1.00 0.00 H new ATOM 1218 N HIS A 77 89.798 -1.984 -3.009 1.00 0.00 N ATOM 1219 CA HIS A 77 88.658 -1.312 -3.619 1.00 0.00 C ATOM 1220 C HIS A 77 88.152 -0.205 -2.701 1.00 0.00 C ATOM 1221 O HIS A 77 87.586 -0.473 -1.641 1.00 0.00 O ATOM 1222 CB HIS A 77 87.536 -2.319 -3.897 1.00 0.00 C ATOM 1223 CG HIS A 77 87.167 -2.266 -5.354 1.00 0.00 C ATOM 1224 ND1 HIS A 77 88.034 -2.682 -6.352 1.00 0.00 N ATOM 1225 CD2 HIS A 77 86.032 -1.837 -5.997 1.00 0.00 C ATOM 1226 CE1 HIS A 77 87.415 -2.496 -7.530 1.00 0.00 C ATOM 1227 NE2 HIS A 77 86.191 -1.982 -7.373 1.00 0.00 N ATOM 0 H HIS A 77 89.627 -2.951 -2.734 1.00 0.00 H new ATOM 0 HA HIS A 77 88.975 -0.871 -4.564 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.860 -3.325 -3.629 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.666 -2.090 -3.282 1.00 0.00 H new ATOM 0 HD1 HIS A 77 88.971 -3.061 -6.217 1.00 0.00 H new ATOM 0 HD2 HIS A 77 85.151 -1.447 -5.510 1.00 0.00 H new ATOM 0 HE1 HIS A 77 87.853 -2.733 -8.488 1.00 0.00 H new ATOM 1235 N LEU A 78 88.365 1.041 -3.115 1.00 0.00 N ATOM 1236 CA LEU A 78 87.934 2.191 -2.329 1.00 0.00 C ATOM 1237 C LEU A 78 86.705 2.835 -2.966 1.00 0.00 C ATOM 1238 O LEU A 78 86.593 2.895 -4.190 1.00 0.00 O ATOM 1239 CB LEU A 78 89.077 3.212 -2.251 1.00 0.00 C ATOM 1240 CG LEU A 78 88.578 4.517 -1.615 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.718 5.175 -0.828 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.099 5.474 -2.715 1.00 0.00 C ATOM 0 H LEU A 78 88.833 1.279 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 78 87.673 1.860 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.900 2.804 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.466 3.411 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 78 87.751 4.296 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.362 6.101 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.058 4.497 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.546 5.395 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 78 87.745 6.400 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 78 88.925 5.693 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.286 5.009 -3.273 1.00 0.00 H new ATOM 1254 N VAL A 79 85.787 3.312 -2.130 1.00 0.00 N ATOM 1255 CA VAL A 79 84.570 3.951 -2.627 1.00 0.00 C ATOM 1256 C VAL A 79 84.420 5.348 -2.029 1.00 0.00 C ATOM 1257 O VAL A 79 84.333 5.510 -0.810 1.00 0.00 O ATOM 1258 CB VAL A 79 83.343 3.094 -2.282 1.00 0.00 C ATOM 1259 CG1 VAL A 79 83.156 2.019 -3.356 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.543 2.419 -0.920 1.00 0.00 C ATOM 0 H VAL A 79 85.860 3.270 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 79 84.643 4.042 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 79 82.461 3.733 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 79 82.286 1.410 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 79 83.007 2.495 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 79 84.043 1.386 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.669 1.813 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 79 84.427 1.782 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.676 3.181 -0.152 1.00 0.00 H new ATOM 1270 N LEU A 80 84.397 6.354 -2.901 1.00 0.00 N ATOM 1271 CA LEU A 80 84.265 7.742 -2.466 1.00 0.00 C ATOM 1272 C LEU A 80 82.828 8.043 -2.046 1.00 0.00 C ATOM 1273 O LEU A 80 81.903 7.954 -2.856 1.00 0.00 O ATOM 1274 CB LEU A 80 84.679 8.683 -3.603 1.00 0.00 C ATOM 1275 CG LEU A 80 86.202 8.636 -3.785 1.00 0.00 C ATOM 1276 CD1 LEU A 80 86.562 8.916 -5.247 1.00 0.00 C ATOM 1277 CD2 LEU A 80 86.855 9.694 -2.892 1.00 0.00 C ATOM 0 H LEU A 80 84.468 6.234 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 80 84.917 7.899 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.183 8.391 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.361 9.701 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 80 86.564 7.646 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 80 87.645 8.881 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.101 8.163 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.197 9.904 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.937 9.661 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.486 10.682 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.607 9.493 -1.850 1.00 0.00 H new ATOM 1289 N ARG A 81 82.650 8.399 -0.774 1.00 0.00 N ATOM 1290 CA ARG A 81 81.322 8.711 -0.248 1.00 0.00 C ATOM 1291 C ARG A 81 80.840 10.070 -0.749 1.00 0.00 C ATOM 1292 O ARG A 81 81.597 10.824 -1.361 1.00 0.00 O ATOM 1293 CB ARG A 81 81.352 8.721 1.284 1.00 0.00 C ATOM 1294 CG ARG A 81 81.654 7.313 1.808 1.00 0.00 C ATOM 1295 CD ARG A 81 81.001 7.128 3.182 1.00 0.00 C ATOM 1296 NE ARG A 81 81.887 6.388 4.076 1.00 0.00 N ATOM 1297 CZ ARG A 81 82.894 6.988 4.709 1.00 0.00 C ATOM 1298 NH1 ARG A 81 83.486 8.019 4.171 1.00 0.00 N ATOM 1299 NH2 ARG A 81 83.287 6.545 5.870 1.00 0.00 N ATOM 0 H ARG A 81 83.404 8.478 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 81 80.633 7.942 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 81 82.110 9.420 1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.394 9.066 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 81 81.277 6.565 1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 81 82.731 7.164 1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 81 80.769 8.101 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 81 80.057 6.594 3.073 1.00 0.00 H new ATOM 0 HE ARG A 81 81.732 5.390 4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 81 83.178 8.368 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 81 84.257 8.476 4.658 1.00 0.00 H new ATOM 0 HH21 ARG A 81 82.824 5.740 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 81 84.058 7.003 6.356 1.00 0.00 H new ATOM 1422 N ALA A 91 77.878 5.653 -8.503 1.00 0.00 N ATOM 1423 CA ALA A 91 78.396 5.700 -7.140 1.00 0.00 C ATOM 1424 C ALA A 91 78.065 7.038 -6.488 1.00 0.00 C ATOM 1425 O ALA A 91 78.260 8.096 -7.088 1.00 0.00 O ATOM 1426 CB ALA A 91 79.914 5.494 -7.148 1.00 0.00 C ATOM 0 HA ALA A 91 77.926 4.902 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.292 5.531 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.147 4.524 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.385 6.281 -7.737 1.00 0.00 H new ATOM 1432 N ASP A 92 77.566 6.981 -5.255 1.00 0.00 N ATOM 1433 CA ASP A 92 77.212 8.192 -4.520 1.00 0.00 C ATOM 1434 C ASP A 92 77.725 8.110 -3.088 1.00 0.00 C ATOM 1435 O ASP A 92 78.752 8.702 -2.754 1.00 0.00 O ATOM 1436 CB ASP A 92 75.692 8.380 -4.509 1.00 0.00 C ATOM 1437 CG ASP A 92 75.209 8.869 -5.871 1.00 0.00 C ATOM 1438 OD1 ASP A 92 75.205 8.076 -6.799 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.848 10.029 -5.966 1.00 0.00 O ATOM 0 H ASP A 92 77.398 6.113 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 92 77.675 9.044 -5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 92 75.204 7.438 -4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 92 75.413 9.098 -3.737 1.00 0.00 H new ATOM 1444 N GLU A 93 77.004 7.372 -2.247 1.00 0.00 N ATOM 1445 CA GLU A 93 77.397 7.222 -0.852 1.00 0.00 C ATOM 1446 C GLU A 93 77.019 5.836 -0.326 1.00 0.00 C ATOM 1447 O GLU A 93 77.817 5.192 0.354 1.00 0.00 O ATOM 1448 CB GLU A 93 76.737 8.320 -0.010 1.00 0.00 C ATOM 1449 CG GLU A 93 77.080 8.125 1.470 1.00 0.00 C ATOM 1450 CD GLU A 93 75.883 7.531 2.207 1.00 0.00 C ATOM 1451 OE1 GLU A 93 75.057 8.300 2.671 1.00 0.00 O ATOM 1452 OE2 GLU A 93 75.807 6.316 2.295 1.00 0.00 O ATOM 0 H GLU A 93 76.153 6.874 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 93 78.480 7.321 -0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 93 77.078 9.300 -0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.656 8.294 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 93 77.942 7.466 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.356 9.080 1.917 1.00 0.00 H new ATOM 1459 N GLU A 94 75.808 5.375 -0.644 1.00 0.00 N ATOM 1460 CA GLU A 94 75.364 4.056 -0.193 1.00 0.00 C ATOM 1461 C GLU A 94 75.384 3.057 -1.349 1.00 0.00 C ATOM 1462 O GLU A 94 75.794 1.908 -1.180 1.00 0.00 O ATOM 1463 CB GLU A 94 73.950 4.129 0.407 1.00 0.00 C ATOM 1464 CG GLU A 94 73.036 4.995 -0.470 1.00 0.00 C ATOM 1465 CD GLU A 94 73.221 6.473 -0.129 1.00 0.00 C ATOM 1466 OE1 GLU A 94 72.803 6.871 0.947 1.00 0.00 O ATOM 1467 OE2 GLU A 94 73.778 7.184 -0.948 1.00 0.00 O ATOM 0 H GLU A 94 75.126 5.887 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 94 76.055 3.718 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.534 3.125 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.997 4.544 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 94 73.264 4.826 -1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 94 71.996 4.707 -0.319 1.00 0.00 H new ATOM 1474 N GLU A 95 74.936 3.503 -2.521 1.00 0.00 N ATOM 1475 CA GLU A 95 74.900 2.641 -3.703 1.00 0.00 C ATOM 1476 C GLU A 95 76.310 2.276 -4.163 1.00 0.00 C ATOM 1477 O GLU A 95 76.484 1.389 -5.000 1.00 0.00 O ATOM 1478 CB GLU A 95 74.159 3.342 -4.847 1.00 0.00 C ATOM 1479 CG GLU A 95 74.721 4.756 -5.046 1.00 0.00 C ATOM 1480 CD GLU A 95 73.618 5.791 -4.838 1.00 0.00 C ATOM 1481 OE1 GLU A 95 73.295 6.064 -3.694 1.00 0.00 O ATOM 1482 OE2 GLU A 95 73.114 6.297 -5.828 1.00 0.00 O ATOM 0 H GLU A 95 74.594 4.451 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 95 74.374 1.726 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 95 74.265 2.767 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 95 73.093 3.393 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 95 75.535 4.935 -4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.137 4.853 -6.049 1.00 0.00 H new ATOM 1489 N LEU A 96 77.314 2.955 -3.610 1.00 0.00 N ATOM 1490 CA LEU A 96 78.702 2.678 -3.980 1.00 0.00 C ATOM 1491 C LEU A 96 79.213 1.425 -3.276 1.00 0.00 C ATOM 1492 O LEU A 96 80.286 0.921 -3.600 1.00 0.00 O ATOM 1493 CB LEU A 96 79.613 3.871 -3.646 1.00 0.00 C ATOM 1494 CG LEU A 96 79.282 4.445 -2.262 1.00 0.00 C ATOM 1495 CD1 LEU A 96 79.606 3.417 -1.173 1.00 0.00 C ATOM 1496 CD2 LEU A 96 80.120 5.704 -2.027 1.00 0.00 C ATOM 0 H LEU A 96 77.196 3.691 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 96 78.727 2.512 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.656 3.555 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 96 79.495 4.646 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 96 78.220 4.687 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 96 79.367 3.835 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 96 79.015 2.516 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.666 3.168 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 96 79.889 6.117 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 96 81.179 5.450 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 96 79.889 6.443 -2.794 1.00 0.00 H new ATOM 1508 N ILE A 97 78.438 0.927 -2.315 1.00 0.00 N ATOM 1509 CA ILE A 97 78.826 -0.270 -1.576 1.00 0.00 C ATOM 1510 C ILE A 97 78.285 -1.521 -2.263 1.00 0.00 C ATOM 1511 O ILE A 97 79.044 -2.430 -2.602 1.00 0.00 O ATOM 1512 CB ILE A 97 78.300 -0.198 -0.135 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.235 0.679 0.708 1.00 0.00 C ATOM 1514 CG2 ILE A 97 78.247 -1.606 0.472 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.414 1.693 1.511 1.00 0.00 C ATOM 0 H ILE A 97 77.545 1.330 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 97 79.914 -0.324 -1.555 1.00 0.00 H new ATOM 0 HB ILE A 97 77.298 0.231 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.821 0.056 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.941 1.200 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.873 -1.548 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.583 -2.234 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 97 79.248 -2.038 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.084 2.313 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 97 77.847 2.325 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 97 77.726 1.164 2.170 1.00 0.00 H new ATOM 1527 N ARG A 98 76.971 -1.561 -2.465 1.00 0.00 N ATOM 1528 CA ARG A 98 76.335 -2.708 -3.110 1.00 0.00 C ATOM 1529 C ARG A 98 76.893 -2.925 -4.514 1.00 0.00 C ATOM 1530 O ARG A 98 77.003 -4.060 -4.979 1.00 0.00 O ATOM 1531 CB ARG A 98 74.820 -2.492 -3.187 1.00 0.00 C ATOM 1532 CG ARG A 98 74.517 -1.170 -3.905 1.00 0.00 C ATOM 1533 CD ARG A 98 73.013 -0.892 -3.862 1.00 0.00 C ATOM 1534 NE ARG A 98 72.316 -1.736 -4.827 1.00 0.00 N ATOM 1535 CZ ARG A 98 70.989 -1.723 -4.920 1.00 0.00 C ATOM 1536 NH1 ARG A 98 70.260 -2.099 -3.907 1.00 0.00 N ATOM 1537 NH2 ARG A 98 70.418 -1.331 -6.027 1.00 0.00 N ATOM 0 H ARG A 98 76.328 -0.817 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 98 76.548 -3.594 -2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 98 74.352 -3.320 -3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.395 -2.477 -2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 98 75.061 -0.354 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.858 -1.220 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.630 -1.081 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.824 0.158 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 98 72.856 -2.346 -5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 98 70.707 -2.403 -3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 98 69.243 -2.089 -3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 98 70.989 -1.035 -6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 98 69.401 -1.320 -6.100 1.00 0.00 H new ATOM 1551 N LYS A 99 77.240 -1.830 -5.185 1.00 0.00 N ATOM 1552 CA LYS A 99 77.778 -1.916 -6.539 1.00 0.00 C ATOM 1553 C LYS A 99 79.262 -2.272 -6.516 1.00 0.00 C ATOM 1554 O LYS A 99 79.733 -3.025 -7.366 1.00 0.00 O ATOM 1555 CB LYS A 99 77.569 -0.585 -7.272 1.00 0.00 C ATOM 1556 CG LYS A 99 78.667 0.409 -6.878 1.00 0.00 C ATOM 1557 CD LYS A 99 78.340 1.793 -7.444 1.00 0.00 C ATOM 1558 CE LYS A 99 78.308 1.736 -8.974 1.00 0.00 C ATOM 1559 NZ LYS A 99 76.901 1.561 -9.434 1.00 0.00 N ATOM 0 H LYS A 99 77.159 -0.882 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 99 77.246 -2.706 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 99 77.584 -0.748 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 99 76.590 -0.174 -7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.751 0.460 -5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 99 79.631 0.069 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 99 77.377 2.133 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 99 79.086 2.516 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.728 2.651 -9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 99 78.924 0.911 -9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 76.850 0.765 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 76.290 1.366 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 76.580 2.430 -9.907 1.00 0.00 H new ATOM 1573 N ALA A 100 79.986 -1.752 -5.524 1.00 0.00 N ATOM 1574 CA ALA A 100 81.412 -2.044 -5.391 1.00 0.00 C ATOM 1575 C ALA A 100 81.609 -3.517 -5.072 1.00 0.00 C ATOM 1576 O ALA A 100 82.690 -4.071 -5.271 1.00 0.00 O ATOM 1577 CB ALA A 100 82.028 -1.193 -4.278 1.00 0.00 C ATOM 0 H ALA A 100 79.611 -1.131 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 100 81.906 -1.806 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 100 83.090 -1.422 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.902 -0.137 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.531 -1.414 -3.334 1.00 0.00 H new ATOM 1583 N ILE A 101 80.543 -4.142 -4.582 1.00 0.00 N ATOM 1584 CA ILE A 101 80.575 -5.556 -4.236 1.00 0.00 C ATOM 1585 C ILE A 101 80.074 -6.400 -5.408 1.00 0.00 C ATOM 1586 O ILE A 101 80.449 -7.564 -5.548 1.00 0.00 O ATOM 1587 CB ILE A 101 79.695 -5.812 -3.007 1.00 0.00 C ATOM 1588 CG1 ILE A 101 80.298 -5.103 -1.787 1.00 0.00 C ATOM 1589 CG2 ILE A 101 79.615 -7.320 -2.733 1.00 0.00 C ATOM 1590 CD1 ILE A 101 79.240 -4.983 -0.687 1.00 0.00 C ATOM 0 H ILE A 101 79.645 -3.689 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 101 81.604 -5.837 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 101 78.694 -5.425 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 101 81.159 -5.661 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.657 -4.113 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 101 78.989 -7.498 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 101 79.183 -7.824 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 101 80.616 -7.710 -2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 101 79.670 -4.479 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 101 78.393 -4.406 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 101 78.902 -5.978 -0.397 1.00 0.00 H new ATOM 1602 N GLU A 102 79.196 -5.814 -6.221 1.00 0.00 N ATOM 1603 CA GLU A 102 78.613 -6.532 -7.352 1.00 0.00 C ATOM 1604 C GLU A 102 79.379 -6.336 -8.663 1.00 0.00 C ATOM 1605 O GLU A 102 79.106 -7.039 -9.634 1.00 0.00 O ATOM 1606 CB GLU A 102 77.162 -6.084 -7.550 1.00 0.00 C ATOM 1607 CG GLU A 102 76.219 -7.219 -7.146 1.00 0.00 C ATOM 1608 CD GLU A 102 76.302 -7.453 -5.639 1.00 0.00 C ATOM 1609 OE1 GLU A 102 75.629 -6.742 -4.910 1.00 0.00 O ATOM 1610 OE2 GLU A 102 77.043 -8.335 -5.236 1.00 0.00 O ATOM 0 H GLU A 102 78.875 -4.851 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 102 78.669 -7.592 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.959 -5.197 -6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.994 -5.810 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 102 75.196 -6.971 -7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 102 76.485 -8.132 -7.680 1.00 0.00 H new ATOM 1617 N LEU A 103 80.311 -5.382 -8.721 1.00 0.00 N ATOM 1618 CA LEU A 103 81.040 -5.164 -9.975 1.00 0.00 C ATOM 1619 C LEU A 103 82.390 -5.893 -10.014 1.00 0.00 C ATOM 1620 O LEU A 103 82.553 -6.840 -10.783 1.00 0.00 O ATOM 1621 CB LEU A 103 81.205 -3.662 -10.286 1.00 0.00 C ATOM 1622 CG LEU A 103 81.948 -2.915 -9.172 1.00 0.00 C ATOM 1623 CD1 LEU A 103 83.420 -2.729 -9.560 1.00 0.00 C ATOM 1624 CD2 LEU A 103 81.306 -1.534 -8.996 1.00 0.00 C ATOM 0 H LEU A 103 80.573 -4.769 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 103 80.426 -5.603 -10.762 1.00 0.00 H new ATOM 0 HB2 LEU A 103 81.748 -3.545 -11.224 1.00 0.00 H new ATOM 0 HB3 LEU A 103 80.222 -3.213 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 103 81.888 -3.488 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 103 83.942 -2.198 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 103 83.883 -3.704 -9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 103 83.483 -2.153 -10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 103 81.824 -0.990 -8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 103 81.380 -0.977 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 103 80.256 -1.652 -8.727 1.00 0.00 H new ATOM 1636 N SER A 104 83.363 -5.442 -9.222 1.00 0.00 N ATOM 1637 CA SER A 104 84.692 -6.062 -9.233 1.00 0.00 C ATOM 1638 C SER A 104 84.880 -7.054 -8.090 1.00 0.00 C ATOM 1639 O SER A 104 85.857 -7.806 -8.074 1.00 0.00 O ATOM 1640 CB SER A 104 85.768 -4.979 -9.140 1.00 0.00 C ATOM 1641 OG SER A 104 85.897 -4.331 -10.400 1.00 0.00 O ATOM 0 H SER A 104 83.261 -4.662 -8.573 1.00 0.00 H new ATOM 0 HA SER A 104 84.783 -6.612 -10.170 1.00 0.00 H new ATOM 0 HB2 SER A 104 85.503 -4.253 -8.371 1.00 0.00 H new ATOM 0 HB3 SER A 104 86.720 -5.421 -8.847 1.00 0.00 H new ATOM 0 HG SER A 104 86.585 -3.636 -10.341 1.00 0.00 H new ATOM 1647 N LEU A 105 83.968 -7.046 -7.129 1.00 0.00 N ATOM 1648 CA LEU A 105 84.082 -7.945 -5.986 1.00 0.00 C ATOM 1649 C LEU A 105 83.294 -9.238 -6.196 1.00 0.00 C ATOM 1650 O LEU A 105 83.722 -10.302 -5.751 1.00 0.00 O ATOM 1651 CB LEU A 105 83.596 -7.231 -4.723 1.00 0.00 C ATOM 1652 CG LEU A 105 84.790 -6.852 -3.836 1.00 0.00 C ATOM 1653 CD1 LEU A 105 85.675 -8.080 -3.591 1.00 0.00 C ATOM 1654 CD2 LEU A 105 85.616 -5.757 -4.522 1.00 0.00 C ATOM 0 H LEU A 105 83.150 -6.436 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 105 85.131 -8.218 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 105 83.037 -6.336 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.914 -7.877 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 105 84.417 -6.483 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 105 86.519 -7.800 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 105 85.092 -8.855 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 105 86.044 -8.459 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 105 86.463 -5.490 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.981 -6.124 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.992 -4.878 -4.683 1.00 0.00 H new