USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 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 23 TYR OH : rot 149:sc= -0.602! USER MOD Set 1.2: A 27 SER OG : rot -50:sc= -1.84! USER MOD Set 1.3: A 112 HIS : no HD1:sc= -6! C(o=-8.4!,f=-12!) USER MOD Set 2.1: A 96 THR OG1 : rot 88:sc= 1.2 USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= 1.06 F(o=0.41,f=2.3) USER MOD Set 3.1: A 65 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000428) USER MOD Set 3.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 20 THR OG1 : rot -71:sc= -1.47! USER MOD Set 4.2: A 108 MET CE :methyl 143:sc= -3.69! (180deg=-4.86!) USER MOD Set 5.1: A 18 TYR OH : rot 150:sc= 0 USER MOD Set 5.2: A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 170:sc= -0.128 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.012) USER MOD Single : A 30 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.51) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -2.97 K(o=-3,f=-4.9!) USER MOD Single : A 37 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.592) USER MOD Single : A 44 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc=-0.00857 (180deg=-0.148) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -132:sc= -6.11! (180deg=-13.2!) USER MOD Single : A 54 SER OG : rot 80:sc= 0.0563 USER MOD Single : A 57 ASN :FLIP amide:sc= -1.55 F(o=-2.7,f=-1.5) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -165:sc= -1.91 (180deg=-2.82) USER MOD Single : A 73 THR OG1 : rot 56:sc= -5.21! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -80:sc= -1.9! USER MOD Single : A 83 SER OG : rot -59:sc= 1.11 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 87 ASN : amide:sc= -3.73 K(o=-3.7,f=-4.9!) USER MOD Single : A 98 THR OG1 : rot -140:sc= -0.629 USER MOD Single : A 103 SER OG : rot 73:sc= 0.114 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -1.193 4.589 14.426 1.00 0.00 N ATOM 194 CA TYR A 12 -1.635 5.561 13.420 1.00 0.00 C ATOM 195 C TYR A 12 -3.081 5.316 12.991 1.00 0.00 C ATOM 196 O TYR A 12 -3.338 4.670 11.976 1.00 0.00 O ATOM 197 CB TYR A 12 -0.690 5.485 12.210 1.00 0.00 C ATOM 198 CG TYR A 12 0.583 4.725 12.524 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.568 3.342 12.632 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.780 5.386 12.763 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.699 2.635 12.966 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.923 4.686 13.101 1.00 0.00 C ATOM 203 CZ TYR A 12 2.877 3.310 13.204 1.00 0.00 C ATOM 204 OH TYR A 12 4.012 2.609 13.541 1.00 0.00 O ATOM 0 HA TYR A 12 -1.600 6.559 13.857 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.204 5.001 11.379 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.438 6.494 11.884 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.353 2.808 12.450 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.819 6.462 12.684 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.665 1.558 13.041 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.848 5.213 13.284 1.00 0.00 H new ATOM 0 HH TYR A 12 4.755 3.234 13.674 1.00 0.00 H new ATOM 214 N GLY A 13 -4.017 5.835 13.777 1.00 0.00 N ATOM 215 CA GLY A 13 -5.427 5.663 13.471 1.00 0.00 C ATOM 216 C GLY A 13 -5.791 6.165 12.086 1.00 0.00 C ATOM 217 O GLY A 13 -6.371 5.431 11.287 1.00 0.00 O ATOM 0 H GLY A 13 -3.825 6.373 14.622 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.686 4.607 13.550 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.023 6.193 14.214 1.00 0.00 H new ATOM 221 N ILE A 14 -5.457 7.420 11.803 1.00 0.00 N ATOM 222 CA ILE A 14 -5.759 8.017 10.507 1.00 0.00 C ATOM 223 C ILE A 14 -5.108 7.230 9.373 1.00 0.00 C ATOM 224 O ILE A 14 -5.747 6.934 8.364 1.00 0.00 O ATOM 225 CB ILE A 14 -5.306 9.492 10.446 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.913 10.193 9.223 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.785 9.594 10.432 1.00 0.00 C ATOM 228 CD1 ILE A 14 -5.298 9.777 7.902 1.00 0.00 C ATOM 0 H ILE A 14 -4.978 8.043 12.453 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.841 7.982 10.383 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.667 9.997 11.342 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.983 9.987 9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.798 11.270 9.341 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.491 10.643 10.389 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.382 9.141 11.338 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.393 9.071 9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.782 10.318 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.233 10.008 7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.436 8.705 7.758 1.00 0.00 H new ATOM 240 N GLU A 15 -3.835 6.890 9.546 1.00 0.00 N ATOM 241 CA GLU A 15 -3.106 6.134 8.535 1.00 0.00 C ATOM 242 C GLU A 15 -3.649 4.714 8.436 1.00 0.00 C ATOM 243 O GLU A 15 -3.658 4.115 7.362 1.00 0.00 O ATOM 244 CB GLU A 15 -1.611 6.106 8.863 1.00 0.00 C ATOM 245 CG GLU A 15 -0.802 7.139 8.095 1.00 0.00 C ATOM 246 CD GLU A 15 0.236 7.827 8.960 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.185 7.145 9.403 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.101 9.046 9.193 1.00 0.00 O ATOM 0 H GLU A 15 -3.288 7.125 10.374 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.243 6.627 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.478 6.274 9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.218 5.113 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.306 6.654 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.477 7.887 7.679 1.00 0.00 H new ATOM 255 N GLY A 16 -4.108 4.185 9.564 1.00 0.00 N ATOM 256 CA GLY A 16 -4.656 2.843 9.582 1.00 0.00 C ATOM 257 C GLY A 16 -5.987 2.762 8.863 1.00 0.00 C ATOM 258 O GLY A 16 -6.355 1.710 8.340 1.00 0.00 O ATOM 0 H GLY A 16 -4.110 4.662 10.466 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.950 2.157 9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.782 2.517 10.614 1.00 0.00 H new ATOM 262 N ARG A 17 -6.710 3.878 8.836 1.00 0.00 N ATOM 263 CA ARG A 17 -8.006 3.932 8.171 1.00 0.00 C ATOM 264 C ARG A 17 -7.848 3.847 6.659 1.00 0.00 C ATOM 265 O ARG A 17 -8.763 3.422 5.958 1.00 0.00 O ATOM 266 CB ARG A 17 -8.746 5.217 8.549 1.00 0.00 C ATOM 267 CG ARG A 17 -9.595 5.084 9.802 1.00 0.00 C ATOM 268 CD ARG A 17 -9.981 6.444 10.361 1.00 0.00 C ATOM 269 NE ARG A 17 -10.846 7.187 9.447 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.312 8.408 9.694 1.00 0.00 C ATOM 271 NH1 ARG A 17 -10.999 9.028 10.826 1.00 0.00 N ATOM 272 NH2 ARG A 17 -12.092 9.011 8.809 1.00 0.00 N ATOM 0 H ARG A 17 -6.420 4.756 9.267 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.591 3.074 8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.019 6.015 8.696 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.384 5.517 7.718 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.496 4.514 9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.045 4.522 10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.491 6.312 11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.079 7.024 10.558 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.108 6.743 8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.399 8.568 11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.359 9.964 11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.335 8.539 7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.449 9.947 8.998 1.00 0.00 H new ATOM 286 N TYR A 18 -6.682 4.245 6.158 1.00 0.00 N ATOM 287 CA TYR A 18 -6.419 4.198 4.724 1.00 0.00 C ATOM 288 C TYR A 18 -6.612 2.783 4.195 1.00 0.00 C ATOM 289 O TYR A 18 -7.321 2.565 3.213 1.00 0.00 O ATOM 290 CB TYR A 18 -4.996 4.674 4.426 1.00 0.00 C ATOM 291 CG TYR A 18 -4.925 6.070 3.857 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.451 7.151 4.550 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.326 6.308 2.626 1.00 0.00 C ATOM 294 CE1 TYR A 18 -5.385 8.430 4.032 1.00 0.00 C ATOM 295 CE2 TYR A 18 -4.256 7.583 2.100 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.786 8.642 2.808 1.00 0.00 C ATOM 297 OH TYR A 18 -4.719 9.915 2.290 1.00 0.00 O ATOM 0 H TYR A 18 -5.909 4.601 6.720 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.125 4.862 4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.411 4.637 5.345 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.531 3.982 3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.919 6.990 5.510 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.908 5.481 2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.801 9.260 4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.789 7.750 1.140 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.919 9.999 1.730 1.00 0.00 H new ATOM 307 N ALA A 19 -5.980 1.825 4.861 1.00 0.00 N ATOM 308 CA ALA A 19 -6.085 0.430 4.466 1.00 0.00 C ATOM 309 C ALA A 19 -7.486 -0.097 4.727 1.00 0.00 C ATOM 310 O ALA A 19 -8.046 -0.830 3.913 1.00 0.00 O ATOM 311 CB ALA A 19 -5.054 -0.407 5.207 1.00 0.00 C ATOM 0 H ALA A 19 -5.390 1.990 5.677 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.888 0.358 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.144 -1.449 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.053 -0.045 4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.224 -0.328 6.281 1.00 0.00 H new ATOM 317 N THR A 20 -8.054 0.283 5.865 1.00 0.00 N ATOM 318 CA THR A 20 -9.396 -0.155 6.219 1.00 0.00 C ATOM 319 C THR A 20 -10.434 0.517 5.335 1.00 0.00 C ATOM 320 O THR A 20 -11.532 -0.005 5.152 1.00 0.00 O ATOM 321 CB THR A 20 -9.689 0.111 7.695 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.734 0.999 8.248 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.682 -1.151 8.529 1.00 0.00 C ATOM 0 H THR A 20 -7.609 0.890 6.554 1.00 0.00 H new ATOM 0 HA THR A 20 -9.452 -1.231 6.053 1.00 0.00 H new ATOM 0 HB THR A 20 -10.687 0.548 7.723 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.874 0.539 8.339 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.896 -0.901 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.442 -1.837 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.703 -1.625 8.464 1.00 0.00 H new ATOM 331 N ALA A 21 -10.082 1.667 4.768 1.00 0.00 N ATOM 332 CA ALA A 21 -10.995 2.377 3.887 1.00 0.00 C ATOM 333 C ALA A 21 -10.788 1.948 2.440 1.00 0.00 C ATOM 334 O ALA A 21 -11.464 2.434 1.533 1.00 0.00 O ATOM 335 CB ALA A 21 -10.824 3.881 4.036 1.00 0.00 C ATOM 0 H ALA A 21 -9.179 2.122 4.903 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.015 2.122 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.516 4.394 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.032 4.171 5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.801 4.158 3.781 1.00 0.00 H new ATOM 341 N LEU A 22 -9.866 1.012 2.234 1.00 0.00 N ATOM 342 CA LEU A 22 -9.589 0.489 0.904 1.00 0.00 C ATOM 343 C LEU A 22 -9.894 -0.989 0.890 1.00 0.00 C ATOM 344 O LEU A 22 -10.427 -1.520 -0.085 1.00 0.00 O ATOM 345 CB LEU A 22 -8.134 0.743 0.508 1.00 0.00 C ATOM 346 CG LEU A 22 -7.828 0.559 -0.982 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.278 1.845 -1.581 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.852 -0.589 -1.191 1.00 0.00 C ATOM 0 H LEU A 22 -9.298 0.601 2.975 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.219 1.001 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.867 1.760 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.495 0.071 1.081 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.759 0.315 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.067 1.692 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.013 2.642 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.359 2.123 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.648 -0.703 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.922 -0.377 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.286 -1.511 -0.804 1.00 0.00 H new ATOM 360 N TYR A 23 -9.584 -1.642 1.997 1.00 0.00 N ATOM 361 CA TYR A 23 -9.858 -3.044 2.134 1.00 0.00 C ATOM 362 C TYR A 23 -11.302 -3.235 2.599 1.00 0.00 C ATOM 363 O TYR A 23 -11.863 -4.315 2.449 1.00 0.00 O ATOM 364 CB TYR A 23 -8.857 -3.687 3.100 1.00 0.00 C ATOM 365 CG TYR A 23 -9.474 -4.248 4.357 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.242 -5.397 4.306 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.301 -3.623 5.583 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.820 -5.922 5.441 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.878 -4.133 6.723 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.636 -5.286 6.652 1.00 0.00 C ATOM 371 OH TYR A 23 -11.215 -5.795 7.790 1.00 0.00 O ATOM 0 H TYR A 23 -9.142 -1.214 2.810 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.743 -3.541 1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.332 -4.488 2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.110 -2.943 3.377 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.392 -5.892 3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.705 -2.724 5.644 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.412 -6.823 5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.739 -3.634 7.670 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.653 -5.584 8.565 1.00 0.00 H new ATOM 381 N SER A 24 -11.914 -2.173 3.150 1.00 0.00 N ATOM 382 CA SER A 24 -13.300 -2.256 3.601 1.00 0.00 C ATOM 383 C SER A 24 -14.155 -2.875 2.506 1.00 0.00 C ATOM 384 O SER A 24 -14.990 -3.741 2.763 1.00 0.00 O ATOM 385 CB SER A 24 -13.839 -0.872 3.969 1.00 0.00 C ATOM 386 OG SER A 24 -13.261 0.134 3.156 1.00 0.00 O ATOM 0 H SER A 24 -11.473 -1.264 3.289 1.00 0.00 H new ATOM 0 HA SER A 24 -13.340 -2.883 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.923 -0.858 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.627 -0.663 5.017 1.00 0.00 H new ATOM 0 HG SER A 24 -13.734 0.981 3.297 1.00 0.00 H new ATOM 392 N ALA A 25 -13.903 -2.445 1.274 1.00 0.00 N ATOM 393 CA ALA A 25 -14.610 -2.980 0.125 1.00 0.00 C ATOM 394 C ALA A 25 -14.069 -4.364 -0.188 1.00 0.00 C ATOM 395 O ALA A 25 -14.816 -5.275 -0.546 1.00 0.00 O ATOM 396 CB ALA A 25 -14.461 -2.057 -1.076 1.00 0.00 C ATOM 0 H ALA A 25 -13.214 -1.727 1.050 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.673 -3.052 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.998 -2.477 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.872 -1.077 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.405 -1.956 -1.328 1.00 0.00 H new ATOM 402 N ALA A 26 -12.755 -4.515 -0.027 1.00 0.00 N ATOM 403 CA ALA A 26 -12.100 -5.795 -0.266 1.00 0.00 C ATOM 404 C ALA A 26 -12.580 -6.844 0.734 1.00 0.00 C ATOM 405 O ALA A 26 -12.561 -8.040 0.450 1.00 0.00 O ATOM 406 CB ALA A 26 -10.590 -5.640 -0.180 1.00 0.00 C ATOM 0 H ALA A 26 -12.127 -3.767 0.267 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.363 -6.131 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.114 -6.604 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.254 -4.924 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.317 -5.281 0.812 1.00 0.00 H new ATOM 412 N SER A 27 -13.011 -6.381 1.903 1.00 0.00 N ATOM 413 CA SER A 27 -13.504 -7.265 2.951 1.00 0.00 C ATOM 414 C SER A 27 -14.807 -7.923 2.519 1.00 0.00 C ATOM 415 O SER A 27 -14.947 -9.144 2.574 1.00 0.00 O ATOM 416 CB SER A 27 -13.726 -6.475 4.241 1.00 0.00 C ATOM 417 OG SER A 27 -13.559 -7.297 5.381 1.00 0.00 O ATOM 0 H SER A 27 -13.028 -5.391 2.148 1.00 0.00 H new ATOM 0 HA SER A 27 -12.760 -8.041 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.025 -5.641 4.285 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.729 -6.048 4.241 1.00 0.00 H new ATOM 0 HG SER A 27 -14.090 -8.114 5.276 1.00 0.00 H new ATOM 423 N LYS A 28 -15.757 -7.101 2.077 1.00 0.00 N ATOM 424 CA LYS A 28 -17.050 -7.601 1.621 1.00 0.00 C ATOM 425 C LYS A 28 -16.853 -8.700 0.585 1.00 0.00 C ATOM 426 O LYS A 28 -17.632 -9.650 0.513 1.00 0.00 O ATOM 427 CB LYS A 28 -17.883 -6.463 1.027 1.00 0.00 C ATOM 428 CG LYS A 28 -18.494 -5.547 2.075 1.00 0.00 C ATOM 429 CD LYS A 28 -18.654 -4.129 1.548 1.00 0.00 C ATOM 430 CE LYS A 28 -19.943 -3.495 2.042 1.00 0.00 C ATOM 431 NZ LYS A 28 -21.129 -3.988 1.290 1.00 0.00 N ATOM 0 H LYS A 28 -15.655 -6.087 2.025 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.583 -8.014 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.254 -5.872 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.681 -6.887 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.466 -5.936 2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.863 -5.537 2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.805 -3.524 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.648 -4.142 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.070 -3.711 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.875 -2.412 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.988 -3.531 1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.020 -3.759 0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.209 -5.019 1.405 1.00 0.00 H new ATOM 445 N GLN A 29 -15.792 -8.567 -0.204 1.00 0.00 N ATOM 446 CA GLN A 29 -15.473 -9.551 -1.226 1.00 0.00 C ATOM 447 C GLN A 29 -14.658 -10.687 -0.620 1.00 0.00 C ATOM 448 O GLN A 29 -14.926 -11.859 -0.884 1.00 0.00 O ATOM 449 CB GLN A 29 -14.695 -8.899 -2.370 1.00 0.00 C ATOM 450 CG GLN A 29 -15.040 -9.465 -3.740 1.00 0.00 C ATOM 451 CD GLN A 29 -15.193 -8.386 -4.794 1.00 0.00 C ATOM 452 OE1 GLN A 29 -16.096 -8.442 -5.629 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.309 -7.396 -4.761 1.00 0.00 N ATOM 0 H GLN A 29 -15.139 -7.785 -0.153 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.404 -9.955 -1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.893 -7.827 -2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.627 -9.027 -2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.260 -10.161 -4.048 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.967 -10.035 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.577 -7.390 -4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.362 -6.642 -5.446 1.00 0.00 H new ATOM 462 N ASN A 30 -13.656 -10.318 0.188 1.00 0.00 N ATOM 463 CA ASN A 30 -12.768 -11.277 0.853 1.00 0.00 C ATOM 464 C ASN A 30 -11.423 -11.294 0.152 1.00 0.00 C ATOM 465 O ASN A 30 -10.757 -12.327 0.075 1.00 0.00 O ATOM 466 CB ASN A 30 -13.362 -12.691 0.885 1.00 0.00 C ATOM 467 CG ASN A 30 -12.665 -13.587 1.890 1.00 0.00 C ATOM 468 OD1 ASN A 30 -11.679 -14.250 1.568 1.00 0.00 O ATOM 469 ND2 ASN A 30 -13.176 -13.611 3.116 1.00 0.00 N ATOM 0 H ASN A 30 -13.439 -9.344 0.399 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.645 -10.955 1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.423 -12.631 1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.288 -13.136 -0.107 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.750 -14.196 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.995 -13.045 3.338 1.00 0.00 H new ATOM 476 N LYS A 31 -11.037 -10.135 -0.364 1.00 0.00 N ATOM 477 CA LYS A 31 -9.778 -9.998 -1.069 1.00 0.00 C ATOM 478 C LYS A 31 -8.649 -9.600 -0.123 1.00 0.00 C ATOM 479 O LYS A 31 -7.557 -9.257 -0.571 1.00 0.00 O ATOM 480 CB LYS A 31 -9.912 -8.972 -2.187 1.00 0.00 C ATOM 481 CG LYS A 31 -10.997 -9.310 -3.196 1.00 0.00 C ATOM 482 CD LYS A 31 -10.438 -10.088 -4.376 1.00 0.00 C ATOM 483 CE LYS A 31 -11.114 -9.690 -5.678 1.00 0.00 C ATOM 484 NZ LYS A 31 -11.059 -10.780 -6.689 1.00 0.00 N ATOM 0 H LYS A 31 -11.583 -9.275 -0.305 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.528 -10.968 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.125 -7.996 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.958 -8.887 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.778 -9.895 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.463 -8.391 -3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.365 -9.912 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.574 -11.156 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.154 -9.429 -5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.632 -8.798 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.531 -10.468 -7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.067 -11.012 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.541 -11.623 -6.317 1.00 0.00 H new ATOM 498 N LEU A 32 -8.905 -9.660 1.187 1.00 0.00 N ATOM 499 CA LEU A 32 -7.893 -9.325 2.182 1.00 0.00 C ATOM 500 C LEU A 32 -6.547 -9.938 1.803 1.00 0.00 C ATOM 501 O LEU A 32 -5.497 -9.400 2.129 1.00 0.00 O ATOM 502 CB LEU A 32 -8.347 -9.823 3.554 1.00 0.00 C ATOM 503 CG LEU A 32 -9.385 -8.936 4.251 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.685 -7.922 5.139 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.274 -8.235 3.232 1.00 0.00 C ATOM 0 H LEU A 32 -9.805 -9.938 1.579 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.769 -8.243 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.763 -10.824 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.473 -9.911 4.200 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.022 -9.567 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.428 -7.295 5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.095 -8.444 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.029 -7.298 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.002 -7.612 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.660 -7.611 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.797 -8.980 2.632 1.00 0.00 H new ATOM 517 N GLU A 33 -6.589 -11.057 1.089 1.00 0.00 N ATOM 518 CA GLU A 33 -5.367 -11.719 0.647 1.00 0.00 C ATOM 519 C GLU A 33 -4.783 -10.993 -0.563 1.00 0.00 C ATOM 520 O GLU A 33 -3.567 -10.839 -0.682 1.00 0.00 O ATOM 521 CB GLU A 33 -5.646 -13.183 0.299 1.00 0.00 C ATOM 522 CG GLU A 33 -6.648 -13.359 -0.830 1.00 0.00 C ATOM 523 CD GLU A 33 -6.855 -14.814 -1.203 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.928 -15.415 -1.786 1.00 0.00 O ATOM 525 OE2 GLU A 33 -7.944 -15.353 -0.913 1.00 0.00 O ATOM 0 H GLU A 33 -7.451 -11.523 0.805 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.643 -11.688 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.710 -13.667 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.018 -13.694 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.603 -12.924 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.304 -12.808 -1.706 1.00 0.00 H new ATOM 532 N GLN A 34 -5.664 -10.533 -1.449 1.00 0.00 N ATOM 533 CA GLN A 34 -5.251 -9.804 -2.645 1.00 0.00 C ATOM 534 C GLN A 34 -5.033 -8.324 -2.340 1.00 0.00 C ATOM 535 O GLN A 34 -4.707 -7.542 -3.232 1.00 0.00 O ATOM 536 CB GLN A 34 -6.299 -9.963 -3.750 1.00 0.00 C ATOM 537 CG GLN A 34 -5.885 -10.934 -4.844 1.00 0.00 C ATOM 538 CD GLN A 34 -5.333 -10.232 -6.070 1.00 0.00 C ATOM 539 OE1 GLN A 34 -5.895 -10.328 -7.160 1.00 0.00 O ATOM 540 NE2 GLN A 34 -4.224 -9.521 -5.896 1.00 0.00 N ATOM 0 H GLN A 34 -6.673 -10.653 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.305 -10.224 -2.986 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.234 -10.305 -3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.496 -8.988 -4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.132 -11.618 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.745 -11.538 -5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.791 -9.469 -4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.806 -9.027 -6.685 1.00 0.00 H new ATOM 549 N VAL A 35 -5.218 -7.943 -1.078 1.00 0.00 N ATOM 550 CA VAL A 35 -5.039 -6.555 -0.669 1.00 0.00 C ATOM 551 C VAL A 35 -4.054 -6.450 0.497 1.00 0.00 C ATOM 552 O VAL A 35 -3.258 -5.513 0.560 1.00 0.00 O ATOM 553 CB VAL A 35 -6.381 -5.899 -0.262 1.00 0.00 C ATOM 554 CG1 VAL A 35 -6.334 -4.401 -0.510 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.568 -6.530 -1.000 1.00 0.00 C ATOM 0 H VAL A 35 -5.491 -8.574 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.638 -6.022 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.526 -6.076 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.285 -3.954 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.530 -3.960 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.154 -4.213 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.492 -6.043 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.437 -6.404 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.620 -7.593 -0.763 1.00 0.00 H new ATOM 565 N GLU A 36 -4.098 -7.421 1.408 1.00 0.00 N ATOM 566 CA GLU A 36 -3.188 -7.431 2.553 1.00 0.00 C ATOM 567 C GLU A 36 -1.819 -7.906 2.106 1.00 0.00 C ATOM 568 O GLU A 36 -0.804 -7.272 2.393 1.00 0.00 O ATOM 569 CB GLU A 36 -3.710 -8.334 3.672 1.00 0.00 C ATOM 570 CG GLU A 36 -3.063 -8.066 5.020 1.00 0.00 C ATOM 571 CD GLU A 36 -2.019 -9.104 5.384 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.333 -10.311 5.311 1.00 0.00 O ATOM 573 OE2 GLU A 36 -0.889 -8.710 5.739 1.00 0.00 O ATOM 0 H GLU A 36 -4.749 -8.206 1.377 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.119 -6.416 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.788 -8.200 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.540 -9.375 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.600 -7.080 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.833 -8.046 5.791 1.00 0.00 H new ATOM 580 N LYS A 37 -1.804 -9.009 1.365 1.00 0.00 N ATOM 581 CA LYS A 37 -0.560 -9.544 0.839 1.00 0.00 C ATOM 582 C LYS A 37 0.028 -8.530 -0.124 1.00 0.00 C ATOM 583 O LYS A 37 1.244 -8.427 -0.282 1.00 0.00 O ATOM 584 CB LYS A 37 -0.799 -10.879 0.129 1.00 0.00 C ATOM 585 CG LYS A 37 -1.590 -11.877 0.959 1.00 0.00 C ATOM 586 CD LYS A 37 -1.837 -13.167 0.193 1.00 0.00 C ATOM 587 CE LYS A 37 -1.792 -14.377 1.112 1.00 0.00 C ATOM 588 NZ LYS A 37 -2.916 -14.377 2.087 1.00 0.00 N ATOM 0 H LYS A 37 -2.636 -9.545 1.118 1.00 0.00 H new ATOM 0 HA LYS A 37 0.135 -9.727 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.330 -10.694 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.163 -11.319 -0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.048 -12.097 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.544 -11.436 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.808 -13.119 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.087 -13.276 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.830 -15.288 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.844 -14.388 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.538 -14.447 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.459 -13.495 1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.538 -15.189 1.899 1.00 0.00 H new ATOM 602 N GLU A 38 -0.862 -7.754 -0.739 1.00 0.00 N ATOM 603 CA GLU A 38 -0.465 -6.713 -1.659 1.00 0.00 C ATOM 604 C GLU A 38 -0.268 -5.397 -0.905 1.00 0.00 C ATOM 605 O GLU A 38 -0.182 -4.330 -1.503 1.00 0.00 O ATOM 606 CB GLU A 38 -1.527 -6.556 -2.747 1.00 0.00 C ATOM 607 CG GLU A 38 -1.302 -7.455 -3.950 1.00 0.00 C ATOM 608 CD GLU A 38 -1.413 -8.927 -3.606 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.643 -9.394 -2.740 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.271 -9.613 -4.200 1.00 0.00 O ATOM 0 H GLU A 38 -1.870 -7.835 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 38 0.480 -6.986 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.507 -6.772 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.545 -5.518 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.030 -7.210 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.315 -7.257 -4.368 1.00 0.00 H new ATOM 617 N LEU A 39 -0.184 -5.485 0.418 1.00 0.00 N ATOM 618 CA LEU A 39 0.024 -4.311 1.251 1.00 0.00 C ATOM 619 C LEU A 39 1.406 -4.377 1.886 1.00 0.00 C ATOM 620 O LEU A 39 2.059 -3.354 2.092 1.00 0.00 O ATOM 621 CB LEU A 39 -1.057 -4.219 2.331 1.00 0.00 C ATOM 622 CG LEU A 39 -1.820 -2.891 2.366 1.00 0.00 C ATOM 623 CD1 LEU A 39 -3.197 -3.046 1.741 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.934 -2.379 3.794 1.00 0.00 C ATOM 0 H LEU A 39 -0.257 -6.361 0.936 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.042 -3.418 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.771 -5.028 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.593 -4.381 3.304 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.261 -2.159 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.722 -2.091 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.092 -3.365 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.766 -3.793 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.479 -1.435 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.468 -3.110 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.937 -2.225 4.206 1.00 0.00 H new ATOM 636 N LEU A 40 1.854 -5.596 2.175 1.00 0.00 N ATOM 637 CA LEU A 40 3.166 -5.806 2.762 1.00 0.00 C ATOM 638 C LEU A 40 4.251 -5.582 1.714 1.00 0.00 C ATOM 639 O LEU A 40 5.375 -5.204 2.040 1.00 0.00 O ATOM 640 CB LEU A 40 3.276 -7.219 3.338 1.00 0.00 C ATOM 641 CG LEU A 40 4.263 -7.373 4.496 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.735 -6.680 5.742 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.532 -8.844 4.775 1.00 0.00 C ATOM 0 H LEU A 40 1.324 -6.452 2.010 1.00 0.00 H new ATOM 0 HA LEU A 40 3.302 -5.090 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.289 -7.534 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.570 -7.899 2.538 1.00 0.00 H new ATOM 0 HG LEU A 40 5.203 -6.900 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.450 -6.800 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.594 -5.619 5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.782 -7.124 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.236 -8.935 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.598 -9.341 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.954 -9.312 3.886 1.00 0.00 H new ATOM 655 N ARG A 41 3.901 -5.811 0.448 1.00 0.00 N ATOM 656 CA ARG A 41 4.843 -5.624 -0.647 1.00 0.00 C ATOM 657 C ARG A 41 5.218 -4.152 -0.780 1.00 0.00 C ATOM 658 O ARG A 41 6.365 -3.817 -1.074 1.00 0.00 O ATOM 659 CB ARG A 41 4.244 -6.137 -1.957 1.00 0.00 C ATOM 660 CG ARG A 41 4.631 -7.570 -2.282 1.00 0.00 C ATOM 661 CD ARG A 41 3.903 -8.560 -1.387 1.00 0.00 C ATOM 662 NE ARG A 41 4.705 -9.753 -1.124 1.00 0.00 N ATOM 663 CZ ARG A 41 5.643 -9.827 -0.183 1.00 0.00 C ATOM 664 NH1 ARG A 41 5.903 -8.780 0.591 1.00 0.00 N ATOM 665 NH2 ARG A 41 6.323 -10.952 -0.013 1.00 0.00 N ATOM 0 H ARG A 41 2.974 -6.125 0.160 1.00 0.00 H new ATOM 0 HA ARG A 41 5.745 -6.195 -0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.158 -6.066 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.565 -5.489 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.399 -7.783 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.707 -7.693 -2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.651 -8.077 -0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.964 -8.851 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 41 4.535 -10.580 -1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.382 -7.912 0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.623 -8.844 1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.127 -11.760 -0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.042 -11.009 0.708 1.00 0.00 H new ATOM 679 N VAL A 42 4.243 -3.277 -0.554 1.00 0.00 N ATOM 680 CA VAL A 42 4.473 -1.841 -0.641 1.00 0.00 C ATOM 681 C VAL A 42 5.449 -1.383 0.438 1.00 0.00 C ATOM 682 O VAL A 42 6.176 -0.406 0.260 1.00 0.00 O ATOM 683 CB VAL A 42 3.154 -1.050 -0.505 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.408 0.446 -0.611 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.153 -1.501 -1.558 1.00 0.00 C ATOM 0 H VAL A 42 3.288 -3.538 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 42 4.901 -1.642 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 42 2.733 -1.252 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.465 0.983 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.087 0.757 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.854 0.672 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.229 -0.934 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.568 -1.330 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.944 -2.563 -1.430 1.00 0.00 H new ATOM 695 N GLY A 43 5.465 -2.103 1.555 1.00 0.00 N ATOM 696 CA GLY A 43 6.362 -1.764 2.643 1.00 0.00 C ATOM 697 C GLY A 43 7.802 -2.095 2.313 1.00 0.00 C ATOM 698 O GLY A 43 8.702 -1.288 2.547 1.00 0.00 O ATOM 0 H GLY A 43 4.872 -2.915 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.276 -0.701 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.062 -2.303 3.542 1.00 0.00 H new ATOM 702 N GLN A 44 8.019 -3.282 1.757 1.00 0.00 N ATOM 703 CA GLN A 44 9.357 -3.717 1.382 1.00 0.00 C ATOM 704 C GLN A 44 9.941 -2.785 0.326 1.00 0.00 C ATOM 705 O GLN A 44 11.155 -2.592 0.254 1.00 0.00 O ATOM 706 CB GLN A 44 9.323 -5.152 0.854 1.00 0.00 C ATOM 707 CG GLN A 44 10.507 -5.994 1.304 1.00 0.00 C ATOM 708 CD GLN A 44 11.095 -6.821 0.177 1.00 0.00 C ATOM 709 OE1 GLN A 44 12.314 -6.904 0.024 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.229 -7.440 -0.617 1.00 0.00 N ATOM 0 H GLN A 44 7.284 -3.960 1.556 1.00 0.00 H new ATOM 0 HA GLN A 44 9.991 -3.685 2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.401 -5.630 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.297 -5.129 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.279 -5.341 1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.192 -6.657 2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.227 -7.343 -0.453 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.566 -8.013 -1.391 1.00 0.00 H new ATOM 719 N ILE A 45 9.064 -2.203 -0.487 1.00 0.00 N ATOM 720 CA ILE A 45 9.487 -1.284 -1.537 1.00 0.00 C ATOM 721 C ILE A 45 10.038 0.011 -0.946 1.00 0.00 C ATOM 722 O ILE A 45 10.663 0.803 -1.649 1.00 0.00 O ATOM 723 CB ILE A 45 8.322 -0.958 -2.495 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.811 -2.237 -3.161 1.00 0.00 C ATOM 725 CG2 ILE A 45 8.756 0.053 -3.549 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.354 -2.169 -3.562 1.00 0.00 C ATOM 0 H ILE A 45 8.056 -2.352 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 45 10.278 -1.780 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 45 7.512 -0.518 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.414 -2.442 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.953 -3.074 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.919 0.268 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.077 0.973 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.583 -0.358 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.061 -3.110 -4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.741 -1.995 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.209 -1.353 -4.270 1.00 0.00 H new ATOM 738 N LEU A 46 9.815 0.224 0.346 1.00 0.00 N ATOM 739 CA LEU A 46 10.310 1.422 1.005 1.00 0.00 C ATOM 740 C LEU A 46 11.653 1.145 1.667 1.00 0.00 C ATOM 741 O LEU A 46 12.518 2.018 1.735 1.00 0.00 O ATOM 742 CB LEU A 46 9.306 1.927 2.042 1.00 0.00 C ATOM 743 CG LEU A 46 9.643 3.290 2.656 1.00 0.00 C ATOM 744 CD1 LEU A 46 10.159 4.248 1.591 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.423 3.872 3.352 1.00 0.00 C ATOM 0 H LEU A 46 9.298 -0.413 0.952 1.00 0.00 H new ATOM 0 HA LEU A 46 10.442 2.196 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.323 1.988 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.233 1.192 2.843 1.00 0.00 H new ATOM 0 HG LEU A 46 10.431 3.149 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.392 5.209 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.059 3.835 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.396 4.386 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.677 4.840 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.617 3.997 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.099 3.196 4.143 1.00 0.00 H new ATOM 757 N LYS A 47 11.823 -0.084 2.143 1.00 0.00 N ATOM 758 CA LYS A 47 13.063 -0.488 2.789 1.00 0.00 C ATOM 759 C LYS A 47 14.136 -0.793 1.747 1.00 0.00 C ATOM 760 O LYS A 47 15.331 -0.752 2.044 1.00 0.00 O ATOM 761 CB LYS A 47 12.829 -1.715 3.672 1.00 0.00 C ATOM 762 CG LYS A 47 14.028 -2.086 4.529 1.00 0.00 C ATOM 763 CD LYS A 47 14.139 -3.591 4.710 1.00 0.00 C ATOM 764 CE LYS A 47 15.589 -4.047 4.708 1.00 0.00 C ATOM 765 NZ LYS A 47 16.203 -3.940 3.355 1.00 0.00 N ATOM 0 H LYS A 47 11.116 -0.817 2.093 1.00 0.00 H new ATOM 0 HA LYS A 47 13.407 0.336 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.973 -1.527 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.569 -2.563 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.939 -1.706 4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.942 -1.607 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.666 -3.881 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.597 -4.096 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.160 -3.445 5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.645 -5.080 5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.061 -4.526 3.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.525 -4.270 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.452 -2.948 3.164 1.00 0.00 H new ATOM 779 N GLU A 48 13.703 -1.095 0.524 1.00 0.00 N ATOM 780 CA GLU A 48 14.626 -1.404 -0.561 1.00 0.00 C ATOM 781 C GLU A 48 15.630 -0.268 -0.764 1.00 0.00 C ATOM 782 O GLU A 48 15.240 0.880 -0.974 1.00 0.00 O ATOM 783 CB GLU A 48 13.849 -1.648 -1.856 1.00 0.00 C ATOM 784 CG GLU A 48 13.520 -3.112 -2.101 1.00 0.00 C ATOM 785 CD GLU A 48 12.927 -3.353 -3.475 1.00 0.00 C ATOM 786 OE1 GLU A 48 13.633 -3.112 -4.477 1.00 0.00 O ATOM 787 OE2 GLU A 48 11.757 -3.782 -3.550 1.00 0.00 O ATOM 0 H GLU A 48 12.718 -1.132 0.262 1.00 0.00 H new ATOM 0 HA GLU A 48 15.176 -2.306 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.922 -1.076 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.431 -1.269 -2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.426 -3.708 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.818 -3.455 -1.341 1.00 0.00 H new ATOM 794 N PRO A 49 16.940 -0.570 -0.706 1.00 0.00 N ATOM 795 CA PRO A 49 17.987 0.441 -0.888 1.00 0.00 C ATOM 796 C PRO A 49 17.808 1.225 -2.183 1.00 0.00 C ATOM 797 O PRO A 49 17.798 2.457 -2.179 1.00 0.00 O ATOM 798 CB PRO A 49 19.277 -0.382 -0.935 1.00 0.00 C ATOM 799 CG PRO A 49 18.956 -1.631 -0.190 1.00 0.00 C ATOM 800 CD PRO A 49 17.504 -1.911 -0.462 1.00 0.00 C ATOM 0 HA PRO A 49 17.975 1.188 -0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.572 -0.598 -1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.106 0.154 -0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.583 -2.458 -0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.137 -1.506 0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.375 -2.565 -1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.023 -2.402 0.384 1.00 0.00 H new ATOM 808 N LYS A 50 17.663 0.505 -3.290 1.00 0.00 N ATOM 809 CA LYS A 50 17.479 1.134 -4.591 1.00 0.00 C ATOM 810 C LYS A 50 16.211 1.982 -4.606 1.00 0.00 C ATOM 811 O LYS A 50 16.132 2.986 -5.314 1.00 0.00 O ATOM 812 CB LYS A 50 17.410 0.072 -5.691 1.00 0.00 C ATOM 813 CG LYS A 50 18.773 -0.384 -6.182 1.00 0.00 C ATOM 814 CD LYS A 50 18.680 -1.693 -6.949 1.00 0.00 C ATOM 815 CE LYS A 50 20.052 -2.312 -7.162 1.00 0.00 C ATOM 816 NZ LYS A 50 20.062 -3.258 -8.312 1.00 0.00 N ATOM 0 H LYS A 50 17.669 -0.515 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 50 18.334 1.784 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.860 -0.792 -5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.844 0.470 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.206 0.384 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.445 -0.506 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.045 -2.391 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.205 -1.518 -7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.784 -1.523 -7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.358 -2.837 -6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.015 -3.658 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.383 -4.025 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.795 -2.752 -9.180 1.00 0.00 H new ATOM 830 N MET A 51 15.222 1.571 -3.819 1.00 0.00 N ATOM 831 CA MET A 51 13.959 2.293 -3.739 1.00 0.00 C ATOM 832 C MET A 51 14.135 3.618 -3.004 1.00 0.00 C ATOM 833 O MET A 51 13.536 4.627 -3.374 1.00 0.00 O ATOM 834 CB MET A 51 12.905 1.445 -3.027 1.00 0.00 C ATOM 835 CG MET A 51 12.419 0.261 -3.846 1.00 0.00 C ATOM 836 SD MET A 51 11.727 0.752 -5.437 1.00 0.00 S ATOM 837 CE MET A 51 10.575 2.026 -4.927 1.00 0.00 C ATOM 0 H MET A 51 15.272 0.741 -3.228 1.00 0.00 H new ATOM 0 HA MET A 51 13.626 2.500 -4.756 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.319 1.080 -2.087 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.053 2.076 -2.776 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.249 -0.426 -4.012 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.664 -0.283 -3.278 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.609 1.855 -5.403 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.456 1.997 -3.844 1.00 0.00 H new ATOM 0 HE3 MET A 51 10.958 3.003 -5.224 1.00 0.00 H new ATOM 847 N ALA A 52 14.959 3.606 -1.960 1.00 0.00 N ATOM 848 CA ALA A 52 15.212 4.807 -1.172 1.00 0.00 C ATOM 849 C ALA A 52 15.663 5.965 -2.056 1.00 0.00 C ATOM 850 O ALA A 52 15.411 7.130 -1.747 1.00 0.00 O ATOM 851 CB ALA A 52 16.254 4.522 -0.100 1.00 0.00 C ATOM 0 H ALA A 52 15.462 2.778 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 52 14.278 5.098 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.434 5.426 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.892 3.733 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.183 4.203 -0.572 1.00 0.00 H new ATOM 857 N ALA A 53 16.324 5.638 -3.160 1.00 0.00 N ATOM 858 CA ALA A 53 16.805 6.652 -4.090 1.00 0.00 C ATOM 859 C ALA A 53 15.733 7.019 -5.117 1.00 0.00 C ATOM 860 O ALA A 53 15.992 7.782 -6.048 1.00 0.00 O ATOM 861 CB ALA A 53 18.065 6.169 -4.792 1.00 0.00 C ATOM 0 H ALA A 53 16.539 4.679 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 53 17.040 7.548 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.413 6.936 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.840 5.969 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.846 5.255 -5.344 1.00 0.00 H new ATOM 867 N SER A 54 14.531 6.471 -4.946 1.00 0.00 N ATOM 868 CA SER A 54 13.430 6.746 -5.864 1.00 0.00 C ATOM 869 C SER A 54 12.185 7.207 -5.110 1.00 0.00 C ATOM 870 O SER A 54 11.453 8.078 -5.580 1.00 0.00 O ATOM 871 CB SER A 54 13.108 5.500 -6.690 1.00 0.00 C ATOM 872 OG SER A 54 14.291 4.864 -7.139 1.00 0.00 O ATOM 0 H SER A 54 14.296 5.836 -4.183 1.00 0.00 H new ATOM 0 HA SER A 54 13.741 7.549 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.523 4.803 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.493 5.777 -7.546 1.00 0.00 H new ATOM 0 HG SER A 54 14.665 4.320 -6.415 1.00 0.00 H new ATOM 878 N LEU A 55 11.946 6.616 -3.943 1.00 0.00 N ATOM 879 CA LEU A 55 10.785 6.970 -3.134 1.00 0.00 C ATOM 880 C LEU A 55 11.054 8.220 -2.302 1.00 0.00 C ATOM 881 O LEU A 55 10.125 8.922 -1.902 1.00 0.00 O ATOM 882 CB LEU A 55 10.404 5.806 -2.217 1.00 0.00 C ATOM 883 CG LEU A 55 9.766 4.607 -2.920 1.00 0.00 C ATOM 884 CD1 LEU A 55 9.342 3.557 -1.906 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.576 5.053 -3.758 1.00 0.00 C ATOM 0 H LEU A 55 12.539 5.892 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 55 9.956 7.181 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.299 5.467 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.712 6.173 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 55 10.507 4.162 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.890 2.712 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.214 3.216 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.617 3.989 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.134 4.188 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.833 5.522 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.908 5.769 -4.510 1.00 0.00 H new ATOM 897 N LEU A 56 12.329 8.493 -2.038 1.00 0.00 N ATOM 898 CA LEU A 56 12.712 9.658 -1.249 1.00 0.00 C ATOM 899 C LEU A 56 13.367 10.729 -2.118 1.00 0.00 C ATOM 900 O LEU A 56 13.433 11.896 -1.730 1.00 0.00 O ATOM 901 CB LEU A 56 13.665 9.246 -0.126 1.00 0.00 C ATOM 902 CG LEU A 56 13.964 10.338 0.903 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.107 9.737 2.293 1.00 0.00 C ATOM 904 CD2 LEU A 56 15.221 11.102 0.518 1.00 0.00 C ATOM 0 H LEU A 56 13.112 7.924 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 56 11.805 10.080 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.241 8.386 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.605 8.919 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 56 13.128 11.037 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.319 10.529 3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.180 9.235 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.924 9.016 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.419 11.875 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.066 10.415 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.081 11.565 -0.459 1.00 0.00 H new ATOM 916 N ASN A 57 13.853 10.331 -3.291 1.00 0.00 N ATOM 917 CA ASN A 57 14.501 11.265 -4.201 1.00 0.00 C ATOM 918 C ASN A 57 13.481 12.214 -4.828 1.00 0.00 C ATOM 919 O ASN A 57 12.632 11.789 -5.613 1.00 0.00 O ATOM 920 CB ASN A 57 15.246 10.503 -5.297 1.00 0.00 C ATOM 921 CG ASN A 57 16.694 10.237 -4.935 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.933 9.872 -3.680 1.00 0.00 O flip ATOM 923 ND2 ASN A 57 17.587 10.358 -5.773 1.00 0.00 N flip ATOM 0 H ASN A 57 13.810 9.370 -3.631 1.00 0.00 H new ATOM 0 HA ASN A 57 15.215 11.857 -3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.741 9.555 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.205 11.074 -6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.357 10.641 -6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.557 10.176 -5.515 1.00 0.00 H new ATOM 930 N PRO A 58 13.552 13.519 -4.501 1.00 0.00 N ATOM 931 CA PRO A 58 12.630 14.521 -5.049 1.00 0.00 C ATOM 932 C PRO A 58 12.715 14.617 -6.572 1.00 0.00 C ATOM 933 O PRO A 58 11.883 15.263 -7.209 1.00 0.00 O ATOM 934 CB PRO A 58 13.096 15.836 -4.410 1.00 0.00 C ATOM 935 CG PRO A 58 13.895 15.429 -3.219 1.00 0.00 C ATOM 936 CD PRO A 58 14.532 14.120 -3.580 1.00 0.00 C ATOM 0 HA PRO A 58 11.591 14.272 -4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.697 16.421 -5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.247 16.456 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.650 16.178 -2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.260 15.325 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.502 14.261 -4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.697 13.495 -2.702 1.00 0.00 H new ATOM 944 N TYR A 59 13.727 13.974 -7.147 1.00 0.00 N ATOM 945 CA TYR A 59 13.929 13.987 -8.589 1.00 0.00 C ATOM 946 C TYR A 59 13.078 12.927 -9.290 1.00 0.00 C ATOM 947 O TYR A 59 13.185 12.740 -10.501 1.00 0.00 O ATOM 948 CB TYR A 59 15.408 13.755 -8.901 1.00 0.00 C ATOM 949 CG TYR A 59 16.300 14.897 -8.465 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.371 15.277 -7.130 1.00 0.00 C ATOM 951 CD2 TYR A 59 17.067 15.596 -9.388 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.180 16.320 -6.728 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.881 16.641 -8.992 1.00 0.00 C ATOM 954 CZ TYR A 59 17.934 16.999 -7.661 1.00 0.00 C ATOM 955 OH TYR A 59 18.741 18.041 -7.264 1.00 0.00 O ATOM 0 H TYR A 59 14.423 13.435 -6.631 1.00 0.00 H new ATOM 0 HA TYR A 59 13.618 14.962 -8.964 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.736 12.839 -8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.526 13.601 -9.974 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.783 14.747 -6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 59 17.027 15.319 -10.431 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.222 16.603 -5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.473 17.174 -9.721 1.00 0.00 H new ATOM 0 HH TYR A 59 19.205 18.411 -8.044 1.00 0.00 H new ATOM 965 N VAL A 60 12.233 12.236 -8.528 1.00 0.00 N ATOM 966 CA VAL A 60 11.374 11.201 -9.091 1.00 0.00 C ATOM 967 C VAL A 60 10.016 11.763 -9.507 1.00 0.00 C ATOM 968 O VAL A 60 9.082 11.009 -9.778 1.00 0.00 O ATOM 969 CB VAL A 60 11.155 10.050 -8.090 1.00 0.00 C ATOM 970 CG1 VAL A 60 12.472 9.358 -7.777 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.493 10.565 -6.818 1.00 0.00 C ATOM 0 H VAL A 60 12.126 12.374 -7.523 1.00 0.00 H new ATOM 0 HA VAL A 60 11.885 10.818 -9.974 1.00 0.00 H new ATOM 0 HB VAL A 60 10.488 9.318 -8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.298 8.548 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.897 8.952 -8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.167 10.077 -7.343 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.347 9.738 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.130 11.319 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.528 11.008 -7.064 1.00 0.00 H new ATOM 981 N LYS A 61 9.909 13.090 -9.556 1.00 0.00 N ATOM 982 CA LYS A 61 8.662 13.741 -9.940 1.00 0.00 C ATOM 983 C LYS A 61 7.519 13.317 -9.020 1.00 0.00 C ATOM 984 O LYS A 61 7.647 12.361 -8.255 1.00 0.00 O ATOM 985 CB LYS A 61 8.313 13.406 -11.392 1.00 0.00 C ATOM 986 CG LYS A 61 8.935 14.357 -12.401 1.00 0.00 C ATOM 987 CD LYS A 61 7.960 15.450 -12.810 1.00 0.00 C ATOM 988 CE LYS A 61 7.879 16.546 -11.760 1.00 0.00 C ATOM 989 NZ LYS A 61 6.918 17.615 -12.146 1.00 0.00 N ATOM 0 H LYS A 61 10.670 13.732 -9.335 1.00 0.00 H new ATOM 0 HA LYS A 61 8.800 14.818 -9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.642 12.390 -11.611 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.229 13.422 -11.510 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.831 14.808 -11.974 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.249 13.799 -13.283 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.272 15.879 -13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.971 15.018 -12.964 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.577 16.113 -10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.867 16.982 -11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.892 18.343 -11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.220 18.046 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.970 17.204 -12.261 1.00 0.00 H new ATOM 1003 N ARG A 62 6.404 14.035 -9.101 1.00 0.00 N ATOM 1004 CA ARG A 62 5.240 13.733 -8.276 1.00 0.00 C ATOM 1005 C ARG A 62 4.159 13.038 -9.100 1.00 0.00 C ATOM 1006 O ARG A 62 2.971 13.333 -8.959 1.00 0.00 O ATOM 1007 CB ARG A 62 4.683 15.014 -7.654 1.00 0.00 C ATOM 1008 CG ARG A 62 3.687 14.764 -6.531 1.00 0.00 C ATOM 1009 CD ARG A 62 4.271 13.865 -5.453 1.00 0.00 C ATOM 1010 NE ARG A 62 4.032 14.393 -4.112 1.00 0.00 N ATOM 1011 CZ ARG A 62 4.610 13.914 -3.013 1.00 0.00 C ATOM 1012 NH1 ARG A 62 5.461 12.898 -3.091 1.00 0.00 N ATOM 1013 NH2 ARG A 62 4.338 14.452 -1.832 1.00 0.00 N ATOM 0 H ARG A 62 6.282 14.829 -9.729 1.00 0.00 H new ATOM 0 HA ARG A 62 5.553 13.060 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.510 15.610 -7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.200 15.605 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.389 15.715 -6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.786 14.306 -6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.833 12.870 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.344 13.756 -5.614 1.00 0.00 H new ATOM 0 HE ARG A 62 3.384 15.175 -4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.675 12.480 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.901 12.535 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.686 15.233 -1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.781 14.085 -0.990 1.00 0.00 H new ATOM 1027 N SER A 63 4.579 12.115 -9.958 1.00 0.00 N ATOM 1028 CA SER A 63 3.649 11.378 -10.806 1.00 0.00 C ATOM 1029 C SER A 63 4.385 10.330 -11.634 1.00 0.00 C ATOM 1030 O SER A 63 3.901 9.213 -11.812 1.00 0.00 O ATOM 1031 CB SER A 63 2.895 12.337 -11.728 1.00 0.00 C ATOM 1032 OG SER A 63 3.781 13.255 -12.343 1.00 0.00 O ATOM 0 H SER A 63 5.558 11.859 -10.085 1.00 0.00 H new ATOM 0 HA SER A 63 2.932 10.869 -10.161 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.365 11.770 -12.493 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.143 12.880 -11.156 1.00 0.00 H new ATOM 0 HG SER A 63 3.275 13.856 -12.929 1.00 0.00 H new ATOM 1038 N VAL A 64 5.559 10.699 -12.136 1.00 0.00 N ATOM 1039 CA VAL A 64 6.363 9.792 -12.945 1.00 0.00 C ATOM 1040 C VAL A 64 6.745 8.545 -12.155 1.00 0.00 C ATOM 1041 O VAL A 64 6.707 7.431 -12.678 1.00 0.00 O ATOM 1042 CB VAL A 64 7.645 10.479 -13.452 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.387 9.577 -14.427 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.316 11.817 -14.097 1.00 0.00 C ATOM 0 H VAL A 64 5.974 11.620 -11.996 1.00 0.00 H new ATOM 0 HA VAL A 64 5.752 9.504 -13.801 1.00 0.00 H new ATOM 0 HB VAL A 64 8.296 10.664 -12.598 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.290 10.080 -14.774 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.659 8.647 -13.927 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.745 9.356 -15.279 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.234 12.287 -14.449 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.643 11.659 -14.940 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.834 12.465 -13.365 1.00 0.00 H new ATOM 1054 N LYS A 65 7.112 8.740 -10.893 1.00 0.00 N ATOM 1055 CA LYS A 65 7.500 7.629 -10.030 1.00 0.00 C ATOM 1056 C LYS A 65 6.345 6.649 -9.856 1.00 0.00 C ATOM 1057 O LYS A 65 6.543 5.433 -9.861 1.00 0.00 O ATOM 1058 CB LYS A 65 7.952 8.150 -8.665 1.00 0.00 C ATOM 1059 CG LYS A 65 9.074 7.333 -8.045 1.00 0.00 C ATOM 1060 CD LYS A 65 8.548 6.057 -7.407 1.00 0.00 C ATOM 1061 CE LYS A 65 9.582 4.943 -7.455 1.00 0.00 C ATOM 1062 NZ LYS A 65 9.329 3.998 -8.579 1.00 0.00 N ATOM 0 H LYS A 65 7.149 9.656 -10.445 1.00 0.00 H new ATOM 0 HA LYS A 65 8.330 7.105 -10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.281 9.184 -8.770 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.099 8.155 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.809 7.082 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.589 7.931 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.272 6.254 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.643 5.737 -7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.577 5.375 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.571 4.397 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.045 3.244 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.383 3.579 -8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.382 4.511 -9.482 1.00 0.00 H new ATOM 1076 N VAL A 66 5.139 7.184 -9.701 1.00 0.00 N ATOM 1077 CA VAL A 66 3.952 6.358 -9.524 1.00 0.00 C ATOM 1078 C VAL A 66 3.734 5.447 -10.727 1.00 0.00 C ATOM 1079 O VAL A 66 3.354 4.286 -10.577 1.00 0.00 O ATOM 1080 CB VAL A 66 2.693 7.217 -9.311 1.00 0.00 C ATOM 1081 CG1 VAL A 66 1.515 6.347 -8.900 1.00 0.00 C ATOM 1082 CG2 VAL A 66 2.953 8.299 -8.272 1.00 0.00 C ATOM 0 H VAL A 66 4.958 8.188 -9.694 1.00 0.00 H new ATOM 0 HA VAL A 66 4.121 5.750 -8.635 1.00 0.00 H new ATOM 0 HB VAL A 66 2.445 7.703 -10.254 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.634 6.972 -8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.314 5.614 -9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.751 5.830 -7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.051 8.896 -8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.228 7.835 -7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.766 8.941 -8.611 1.00 0.00 H new ATOM 1092 N LYS A 67 3.977 5.980 -11.920 1.00 0.00 N ATOM 1093 CA LYS A 67 3.808 5.214 -13.149 1.00 0.00 C ATOM 1094 C LYS A 67 4.711 3.985 -13.151 1.00 0.00 C ATOM 1095 O LYS A 67 4.370 2.952 -13.725 1.00 0.00 O ATOM 1096 CB LYS A 67 4.116 6.088 -14.366 1.00 0.00 C ATOM 1097 CG LYS A 67 3.347 5.684 -15.613 1.00 0.00 C ATOM 1098 CD LYS A 67 1.899 6.142 -15.549 1.00 0.00 C ATOM 1099 CE LYS A 67 1.711 7.494 -16.218 1.00 0.00 C ATOM 1100 NZ LYS A 67 0.640 8.294 -15.564 1.00 0.00 N ATOM 0 H LYS A 67 4.292 6.940 -12.062 1.00 0.00 H new ATOM 0 HA LYS A 67 2.771 4.882 -13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.884 7.126 -14.126 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.184 6.041 -14.576 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.827 6.114 -16.492 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.382 4.601 -15.728 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.261 5.403 -16.034 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.581 6.203 -14.508 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.649 8.048 -16.186 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.464 7.347 -17.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.544 9.208 -16.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.261 7.777 -15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.888 8.456 -14.567 1.00 0.00 H new ATOM 1114 N SER A 68 5.865 4.105 -12.502 1.00 0.00 N ATOM 1115 CA SER A 68 6.819 3.005 -12.425 1.00 0.00 C ATOM 1116 C SER A 68 6.294 1.891 -11.523 1.00 0.00 C ATOM 1117 O SER A 68 6.596 0.717 -11.731 1.00 0.00 O ATOM 1118 CB SER A 68 8.168 3.509 -11.907 1.00 0.00 C ATOM 1119 OG SER A 68 8.940 2.450 -11.366 1.00 0.00 O ATOM 0 H SER A 68 6.162 4.954 -12.021 1.00 0.00 H new ATOM 0 HA SER A 68 6.953 2.600 -13.428 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.717 3.984 -12.720 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.006 4.270 -11.144 1.00 0.00 H new ATOM 0 HG SER A 68 9.797 2.801 -11.044 1.00 0.00 H new ATOM 1125 N LEU A 69 5.506 2.270 -10.522 1.00 0.00 N ATOM 1126 CA LEU A 69 4.940 1.304 -9.588 1.00 0.00 C ATOM 1127 C LEU A 69 3.915 0.412 -10.282 1.00 0.00 C ATOM 1128 O LEU A 69 3.735 -0.747 -9.910 1.00 0.00 O ATOM 1129 CB LEU A 69 4.288 2.026 -8.407 1.00 0.00 C ATOM 1130 CG LEU A 69 5.185 3.036 -7.690 1.00 0.00 C ATOM 1131 CD1 LEU A 69 4.349 3.997 -6.860 1.00 0.00 C ATOM 1132 CD2 LEU A 69 6.202 2.317 -6.816 1.00 0.00 C ATOM 0 H LEU A 69 5.245 3.239 -10.337 1.00 0.00 H new ATOM 0 HA LEU A 69 5.751 0.676 -9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.397 2.543 -8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.956 1.281 -7.684 1.00 0.00 H new ATOM 0 HG LEU A 69 5.724 3.613 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.004 4.708 -6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.660 4.536 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.782 3.437 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.832 3.050 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.681 1.715 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.822 1.670 -7.436 1.00 0.00 H new ATOM 1144 N SER A 70 3.244 0.961 -11.288 1.00 0.00 N ATOM 1145 CA SER A 70 2.236 0.216 -12.032 1.00 0.00 C ATOM 1146 C SER A 70 2.872 -0.919 -12.824 1.00 0.00 C ATOM 1147 O SER A 70 2.322 -2.017 -12.904 1.00 0.00 O ATOM 1148 CB SER A 70 1.467 1.148 -12.973 1.00 0.00 C ATOM 1149 OG SER A 70 0.212 0.593 -13.326 1.00 0.00 O ATOM 0 H SER A 70 3.380 1.920 -11.607 1.00 0.00 H new ATOM 0 HA SER A 70 1.538 -0.215 -11.314 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.318 2.114 -12.491 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.055 1.327 -13.873 1.00 0.00 H new ATOM 0 HG SER A 70 -0.260 1.207 -13.926 1.00 0.00 H new ATOM 1155 N ASP A 71 4.038 -0.656 -13.398 1.00 0.00 N ATOM 1156 CA ASP A 71 4.747 -1.670 -14.165 1.00 0.00 C ATOM 1157 C ASP A 71 5.580 -2.534 -13.232 1.00 0.00 C ATOM 1158 O ASP A 71 5.796 -3.718 -13.488 1.00 0.00 O ATOM 1159 CB ASP A 71 5.639 -1.021 -15.226 1.00 0.00 C ATOM 1160 CG ASP A 71 5.769 -1.874 -16.472 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.520 -3.094 -16.385 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.120 -1.321 -17.535 1.00 0.00 O ATOM 0 H ASP A 71 4.511 0.246 -13.347 1.00 0.00 H new ATOM 0 HA ASP A 71 4.015 -2.298 -14.674 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.228 -0.048 -15.496 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.629 -0.844 -14.806 1.00 0.00 H new ATOM 1167 N MET A 72 6.028 -1.934 -12.135 1.00 0.00 N ATOM 1168 CA MET A 72 6.817 -2.649 -11.146 1.00 0.00 C ATOM 1169 C MET A 72 5.914 -3.521 -10.292 1.00 0.00 C ATOM 1170 O MET A 72 6.351 -4.546 -9.767 1.00 0.00 O ATOM 1171 CB MET A 72 7.596 -1.667 -10.268 1.00 0.00 C ATOM 1172 CG MET A 72 8.374 -2.336 -9.145 1.00 0.00 C ATOM 1173 SD MET A 72 9.041 -1.150 -7.962 1.00 0.00 S ATOM 1174 CE MET A 72 7.576 -0.764 -7.007 1.00 0.00 C ATOM 0 H MET A 72 5.857 -0.954 -11.910 1.00 0.00 H new ATOM 0 HA MET A 72 7.533 -3.286 -11.665 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.289 -1.105 -10.894 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.900 -0.947 -9.837 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.722 -3.037 -8.623 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.191 -2.918 -9.571 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.752 0.137 -6.419 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.735 -0.599 -7.681 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.348 -1.594 -6.339 1.00 0.00 H new ATOM 1184 N THR A 73 4.647 -3.130 -10.164 1.00 0.00 N ATOM 1185 CA THR A 73 3.714 -3.917 -9.381 1.00 0.00 C ATOM 1186 C THR A 73 3.516 -5.274 -10.028 1.00 0.00 C ATOM 1187 O THR A 73 3.284 -6.270 -9.344 1.00 0.00 O ATOM 1188 CB THR A 73 2.370 -3.218 -9.225 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.543 -3.975 -8.372 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.614 -3.037 -10.514 1.00 0.00 C ATOM 0 H THR A 73 4.254 -2.288 -10.586 1.00 0.00 H new ATOM 0 HA THR A 73 4.140 -4.040 -8.385 1.00 0.00 H new ATOM 0 HB THR A 73 2.603 -2.230 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.996 -4.111 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.669 -2.532 -10.314 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.208 -2.436 -11.203 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.417 -4.012 -10.960 1.00 0.00 H new ATOM 1198 N ALA A 74 3.629 -5.316 -11.355 1.00 0.00 N ATOM 1199 CA ALA A 74 3.484 -6.567 -12.078 1.00 0.00 C ATOM 1200 C ALA A 74 4.372 -7.636 -11.454 1.00 0.00 C ATOM 1201 O ALA A 74 4.071 -8.828 -11.519 1.00 0.00 O ATOM 1202 CB ALA A 74 3.826 -6.378 -13.549 1.00 0.00 C ATOM 0 H ALA A 74 3.819 -4.503 -11.942 1.00 0.00 H new ATOM 0 HA ALA A 74 2.446 -6.892 -12.011 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.711 -7.326 -14.074 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.156 -5.638 -13.986 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.856 -6.034 -13.642 1.00 0.00 H new ATOM 1208 N LYS A 75 5.468 -7.194 -10.838 1.00 0.00 N ATOM 1209 CA LYS A 75 6.397 -8.110 -10.190 1.00 0.00 C ATOM 1210 C LYS A 75 6.201 -8.122 -8.674 1.00 0.00 C ATOM 1211 O LYS A 75 6.623 -9.059 -7.998 1.00 0.00 O ATOM 1212 CB LYS A 75 7.840 -7.732 -10.527 1.00 0.00 C ATOM 1213 CG LYS A 75 8.341 -8.345 -11.826 1.00 0.00 C ATOM 1214 CD LYS A 75 8.504 -9.851 -11.704 1.00 0.00 C ATOM 1215 CE LYS A 75 9.012 -10.463 -12.999 1.00 0.00 C ATOM 1216 NZ LYS A 75 8.398 -11.793 -13.264 1.00 0.00 N ATOM 0 H LYS A 75 5.731 -6.210 -10.776 1.00 0.00 H new ATOM 0 HA LYS A 75 6.192 -9.112 -10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.917 -6.647 -10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.490 -8.048 -9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.642 -8.118 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.296 -7.895 -12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.199 -10.078 -10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.548 -10.301 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.793 -9.791 -13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.096 -10.567 -12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.771 -12.176 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.628 -12.443 -12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.366 -11.691 -13.336 1.00 0.00 H new ATOM 1230 N GLU A 76 5.558 -7.084 -8.140 1.00 0.00 N ATOM 1231 CA GLU A 76 5.318 -7.003 -6.706 1.00 0.00 C ATOM 1232 C GLU A 76 4.189 -7.942 -6.292 1.00 0.00 C ATOM 1233 O GLU A 76 4.407 -8.881 -5.526 1.00 0.00 O ATOM 1234 CB GLU A 76 4.982 -5.566 -6.302 1.00 0.00 C ATOM 1235 CG GLU A 76 5.634 -5.136 -4.998 1.00 0.00 C ATOM 1236 CD GLU A 76 7.033 -4.587 -5.200 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.286 -3.983 -6.264 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.875 -4.760 -4.295 1.00 0.00 O ATOM 0 H GLU A 76 5.198 -6.295 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 76 6.228 -7.310 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.297 -4.890 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.901 -5.466 -6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.015 -4.377 -4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.676 -5.988 -4.319 1.00 0.00 H new ATOM 1245 N LYS A 77 2.988 -7.682 -6.813 1.00 0.00 N ATOM 1246 CA LYS A 77 1.808 -8.501 -6.511 1.00 0.00 C ATOM 1247 C LYS A 77 0.519 -7.723 -6.767 1.00 0.00 C ATOM 1248 O LYS A 77 -0.486 -8.294 -7.189 1.00 0.00 O ATOM 1249 CB LYS A 77 1.829 -8.986 -5.055 1.00 0.00 C ATOM 1250 CG LYS A 77 2.249 -10.439 -4.905 1.00 0.00 C ATOM 1251 CD LYS A 77 2.903 -10.694 -3.558 1.00 0.00 C ATOM 1252 CE LYS A 77 3.452 -12.109 -3.464 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.533 -13.014 -2.722 1.00 0.00 N ATOM 0 H LYS A 77 2.805 -6.907 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 77 1.838 -9.366 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.511 -8.358 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.837 -8.857 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.377 -11.084 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.943 -10.702 -5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.710 -9.978 -3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.176 -10.531 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.616 -12.502 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.422 -12.090 -2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.944 -13.968 -2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.396 -12.654 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.615 -13.053 -3.210 1.00 0.00 H new ATOM 1267 N PHE A 78 0.551 -6.420 -6.493 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.617 -5.561 -6.679 1.00 0.00 C ATOM 1269 C PHE A 78 -1.216 -5.711 -8.055 1.00 0.00 C ATOM 1270 O PHE A 78 -0.782 -6.535 -8.858 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.259 -4.091 -6.480 1.00 0.00 C ATOM 1272 CG PHE A 78 0.822 -3.872 -5.482 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.710 -4.393 -4.208 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.959 -3.171 -5.827 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.727 -4.211 -3.291 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.977 -2.989 -4.923 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.864 -3.511 -3.649 1.00 0.00 C ATOM 0 H PHE A 78 1.376 -5.935 -6.140 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.344 -5.877 -5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.049 -3.668 -7.436 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.150 -3.548 -6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.175 -4.944 -3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.050 -2.760 -6.821 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.634 -4.616 -2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.862 -2.440 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.662 -3.373 -2.934 1.00 0.00 H new ATOM 1287 N SER A 79 -2.207 -4.865 -8.311 1.00 0.00 N ATOM 1288 CA SER A 79 -2.906 -4.820 -9.587 1.00 0.00 C ATOM 1289 C SER A 79 -4.408 -4.645 -9.396 1.00 0.00 C ATOM 1290 O SER A 79 -5.047 -3.907 -10.144 1.00 0.00 O ATOM 1291 CB SER A 79 -2.644 -6.070 -10.436 1.00 0.00 C ATOM 1292 OG SER A 79 -3.563 -6.159 -11.511 1.00 0.00 O ATOM 0 H SER A 79 -2.550 -4.186 -7.632 1.00 0.00 H new ATOM 0 HA SER A 79 -2.510 -3.954 -10.118 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.626 -6.042 -10.825 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.722 -6.960 -9.812 1.00 0.00 H new ATOM 0 HG SER A 79 -3.374 -6.964 -12.038 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.017 -5.360 -8.435 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.444 -5.302 -8.217 1.00 0.00 C ATOM 1300 C PRO A 80 -6.889 -4.401 -7.075 1.00 0.00 C ATOM 1301 O PRO A 80 -7.467 -3.341 -7.314 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.773 -6.762 -7.920 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.517 -7.340 -7.320 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.401 -6.337 -7.536 1.00 0.00 C ATOM 0 HA PRO A 80 -6.960 -4.866 -9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.612 -6.843 -7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.056 -7.294 -8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.656 -7.535 -6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.272 -8.293 -7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.080 -5.880 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.521 -6.800 -7.983 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.639 -4.808 -5.834 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.050 -3.992 -4.705 1.00 0.00 C ATOM 1314 C LEU A 81 -5.877 -3.195 -4.194 1.00 0.00 C ATOM 1315 O LEU A 81 -5.898 -2.643 -3.094 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.655 -4.850 -3.604 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.179 -4.958 -3.676 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.623 -6.402 -3.538 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.830 -4.085 -2.614 1.00 0.00 C ATOM 0 H LEU A 81 -6.165 -5.678 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.822 -3.297 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.226 -5.850 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.374 -4.435 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.501 -4.599 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.710 -6.455 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.190 -6.994 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.288 -6.796 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.914 -4.176 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.500 -4.407 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.543 -3.045 -2.771 1.00 0.00 H new ATOM 1331 N THR A 82 -4.855 -3.139 -5.025 1.00 0.00 N ATOM 1332 CA THR A 82 -3.656 -2.417 -4.716 1.00 0.00 C ATOM 1333 C THR A 82 -3.240 -1.556 -5.902 1.00 0.00 C ATOM 1334 O THR A 82 -2.264 -0.814 -5.821 1.00 0.00 O ATOM 1335 CB THR A 82 -2.554 -3.388 -4.338 1.00 0.00 C ATOM 1336 OG1 THR A 82 -3.040 -4.720 -4.325 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.960 -3.097 -2.980 1.00 0.00 C ATOM 0 H THR A 82 -4.842 -3.598 -5.936 1.00 0.00 H new ATOM 0 HA THR A 82 -3.842 -1.758 -3.868 1.00 0.00 H new ATOM 0 HB THR A 82 -1.778 -3.266 -5.094 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.518 -4.886 -3.486 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.177 -3.823 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.535 -2.093 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.739 -3.165 -2.220 1.00 0.00 H new ATOM 1345 N SER A 83 -4.000 -1.632 -7.003 1.00 0.00 N ATOM 1346 CA SER A 83 -3.694 -0.826 -8.173 1.00 0.00 C ATOM 1347 C SER A 83 -4.423 0.509 -8.096 1.00 0.00 C ATOM 1348 O SER A 83 -4.763 1.118 -9.111 1.00 0.00 O ATOM 1349 CB SER A 83 -4.072 -1.551 -9.459 1.00 0.00 C ATOM 1350 OG SER A 83 -3.934 -0.700 -10.585 1.00 0.00 O ATOM 0 H SER A 83 -4.816 -2.236 -7.100 1.00 0.00 H new ATOM 0 HA SER A 83 -2.618 -0.650 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.439 -2.430 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.100 -1.906 -9.391 1.00 0.00 H new ATOM 0 HG SER A 83 -4.509 0.086 -10.474 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.636 0.951 -6.872 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.299 2.208 -6.578 1.00 0.00 C ATOM 1358 C ASN A 84 -4.654 2.762 -5.329 1.00 0.00 C ATOM 1359 O ASN A 84 -4.282 3.933 -5.259 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.801 2.000 -6.363 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.525 3.296 -6.056 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.080 4.376 -6.441 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.651 3.193 -5.359 1.00 0.00 N ATOM 0 H ASN A 84 -4.348 0.438 -6.039 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.193 2.901 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.234 1.548 -7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.954 1.298 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.183 4.031 -5.123 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.984 2.276 -5.060 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.468 1.869 -4.363 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.801 2.211 -3.131 1.00 0.00 C ATOM 1372 C LEU A 85 -2.329 2.475 -3.435 1.00 0.00 C ATOM 1373 O LEU A 85 -1.636 3.136 -2.663 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.943 1.073 -2.113 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.261 1.319 -0.764 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.230 1.964 0.214 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.716 0.017 -0.195 1.00 0.00 C ATOM 0 H LEU A 85 -4.776 0.898 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.254 3.104 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.004 0.893 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.532 0.163 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.426 2.001 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.728 2.131 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.572 2.918 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.086 1.306 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.235 0.212 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.534 -0.689 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.988 -0.406 -0.887 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.857 1.959 -4.583 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.474 2.159 -4.982 1.00 0.00 C ATOM 1391 C ILE A 86 -0.235 3.621 -5.348 1.00 0.00 C ATOM 1392 O ILE A 86 0.692 4.256 -4.843 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.074 1.232 -6.164 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.900 0.155 -5.684 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.542 2.018 -7.318 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.252 -0.910 -4.828 1.00 0.00 C ATOM 0 H ILE A 86 -2.414 1.408 -5.237 1.00 0.00 H new ATOM 0 HA ILE A 86 0.156 1.896 -4.132 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.984 0.759 -6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.361 -0.318 -6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.701 0.628 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.808 1.333 -8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.178 2.749 -7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.437 2.534 -6.970 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.003 -1.640 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.185 -0.449 -3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.530 -1.410 -5.400 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.083 4.149 -6.224 1.00 0.00 N ATOM 1409 CA ASN A 87 -0.973 5.535 -6.654 1.00 0.00 C ATOM 1410 C ASN A 87 -1.271 6.476 -5.493 1.00 0.00 C ATOM 1411 O ASN A 87 -0.706 7.565 -5.401 1.00 0.00 O ATOM 1412 CB ASN A 87 -1.935 5.812 -7.812 1.00 0.00 C ATOM 1413 CG ASN A 87 -1.424 5.268 -9.132 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -0.974 6.022 -9.995 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -1.494 3.953 -9.297 1.00 0.00 N ATOM 0 H ASN A 87 -1.855 3.636 -6.650 1.00 0.00 H new ATOM 0 HA ASN A 87 0.047 5.710 -6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.905 5.366 -7.590 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.091 6.887 -7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.167 3.530 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.874 3.365 -8.555 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.163 6.042 -4.609 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.543 6.835 -3.447 1.00 0.00 C ATOM 1424 C LEU A 88 -1.384 6.944 -2.463 1.00 0.00 C ATOM 1425 O LEU A 88 -1.168 7.994 -1.860 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.758 6.215 -2.755 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.657 7.206 -2.013 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -5.843 7.601 -2.878 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.131 6.611 -0.694 1.00 0.00 C ATOM 0 H LEU A 88 -2.638 5.142 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.802 7.837 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.356 5.695 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.409 5.464 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.077 8.103 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.471 8.306 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.485 8.067 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.425 6.713 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.769 7.329 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.695 5.699 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.269 6.379 -0.069 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.639 5.854 -2.308 1.00 0.00 N ATOM 1442 CA LEU A 89 0.498 5.839 -1.398 1.00 0.00 C ATOM 1443 C LEU A 89 1.633 6.704 -1.936 1.00 0.00 C ATOM 1444 O LEU A 89 2.448 7.222 -1.173 1.00 0.00 O ATOM 1445 CB LEU A 89 0.984 4.405 -1.176 1.00 0.00 C ATOM 1446 CG LEU A 89 0.525 3.770 0.137 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.682 2.258 0.084 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.306 4.350 1.307 1.00 0.00 C ATOM 0 H LEU A 89 -0.802 4.975 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 89 0.175 6.252 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.637 3.786 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.074 4.396 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.531 3.998 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.350 1.824 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.079 1.858 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.729 2.007 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.968 3.888 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.369 4.152 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.141 5.426 1.357 1.00 0.00 H new ATOM 1460 N ALA A 90 1.675 6.861 -3.256 1.00 0.00 N ATOM 1461 CA ALA A 90 2.707 7.668 -3.895 1.00 0.00 C ATOM 1462 C ALA A 90 2.144 8.998 -4.391 1.00 0.00 C ATOM 1463 O ALA A 90 2.761 9.671 -5.216 1.00 0.00 O ATOM 1464 CB ALA A 90 3.337 6.899 -5.046 1.00 0.00 C ATOM 0 H ALA A 90 1.007 6.440 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 90 3.473 7.886 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.106 7.512 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.786 5.981 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.571 6.652 -5.781 1.00 0.00 H new ATOM 1470 N GLU A 91 0.971 9.376 -3.885 1.00 0.00 N ATOM 1471 CA GLU A 91 0.339 10.628 -4.283 1.00 0.00 C ATOM 1472 C GLU A 91 0.479 11.677 -3.185 1.00 0.00 C ATOM 1473 O GLU A 91 1.182 12.674 -3.350 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.141 10.402 -4.603 1.00 0.00 C ATOM 1475 CG GLU A 91 -1.497 10.667 -6.057 1.00 0.00 C ATOM 1476 CD GLU A 91 -0.618 9.896 -7.023 1.00 0.00 C ATOM 1477 OE1 GLU A 91 0.513 10.353 -7.291 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -1.060 8.835 -7.511 1.00 0.00 O ATOM 0 H GLU A 91 0.443 8.834 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 91 0.843 10.992 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.405 9.374 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.745 11.049 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.540 10.398 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.406 11.734 -6.261 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.194 11.443 -2.064 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.144 12.367 -0.938 1.00 0.00 C ATOM 1487 C ASN A 92 1.240 12.374 -0.299 1.00 0.00 C ATOM 1488 O ASN A 92 1.654 13.368 0.298 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.199 11.991 0.104 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.592 11.904 -0.488 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -3.212 12.921 -0.798 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.092 10.684 -0.649 1.00 0.00 N ATOM 0 H ASN A 92 -0.780 10.622 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.354 13.369 -1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.937 11.032 0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.193 12.730 0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.025 10.563 -1.043 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.543 9.868 -0.378 1.00 0.00 H new ATOM 1499 N GLY A 93 1.953 11.259 -0.426 1.00 0.00 N ATOM 1500 CA GLY A 93 3.282 11.159 0.146 1.00 0.00 C ATOM 1501 C GLY A 93 3.318 10.269 1.371 1.00 0.00 C ATOM 1502 O GLY A 93 4.014 10.565 2.343 1.00 0.00 O ATOM 0 H GLY A 93 1.633 10.423 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.969 10.768 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.635 12.155 0.413 1.00 0.00 H new ATOM 1506 N ARG A 94 2.562 9.176 1.328 1.00 0.00 N ATOM 1507 CA ARG A 94 2.508 8.240 2.445 1.00 0.00 C ATOM 1508 C ARG A 94 3.444 7.057 2.214 1.00 0.00 C ATOM 1509 O ARG A 94 3.213 5.962 2.726 1.00 0.00 O ATOM 1510 CB ARG A 94 1.076 7.739 2.648 1.00 0.00 C ATOM 1511 CG ARG A 94 0.762 7.363 4.086 1.00 0.00 C ATOM 1512 CD ARG A 94 0.250 8.558 4.875 1.00 0.00 C ATOM 1513 NE ARG A 94 1.283 9.574 5.063 1.00 0.00 N ATOM 1514 CZ ARG A 94 2.248 9.490 5.975 1.00 0.00 C ATOM 1515 NH1 ARG A 94 2.317 8.440 6.785 1.00 0.00 N ATOM 1516 NH2 ARG A 94 3.148 10.458 6.079 1.00 0.00 N ATOM 0 H ARG A 94 1.979 8.917 0.532 1.00 0.00 H new ATOM 0 HA ARG A 94 2.834 8.767 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.380 8.512 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.909 6.871 2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.016 6.569 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.658 6.967 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.601 8.998 4.355 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.110 8.223 5.848 1.00 0.00 H new ATOM 0 HE ARG A 94 1.263 10.396 4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.628 7.692 6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.059 8.382 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.101 11.267 5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.888 10.394 6.778 1.00 0.00 H new ATOM 1530 N LEU A 95 4.504 7.284 1.444 1.00 0.00 N ATOM 1531 CA LEU A 95 5.475 6.236 1.153 1.00 0.00 C ATOM 1532 C LEU A 95 6.698 6.364 2.055 1.00 0.00 C ATOM 1533 O LEU A 95 7.805 5.978 1.678 1.00 0.00 O ATOM 1534 CB LEU A 95 5.897 6.293 -0.317 1.00 0.00 C ATOM 1535 CG LEU A 95 5.039 5.459 -1.269 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.265 5.892 -2.710 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.342 3.977 -1.102 1.00 0.00 C ATOM 0 H LEU A 95 4.712 8.184 1.011 1.00 0.00 H new ATOM 0 HA LEU A 95 5.003 5.273 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.873 7.332 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.931 5.957 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 95 3.991 5.625 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.646 5.287 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.996 6.943 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.315 5.757 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.722 3.399 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.394 3.794 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.128 3.675 -0.077 1.00 0.00 H new ATOM 1549 N THR A 96 6.488 6.905 3.251 1.00 0.00 N ATOM 1550 CA THR A 96 7.568 7.083 4.214 1.00 0.00 C ATOM 1551 C THR A 96 7.365 6.166 5.414 1.00 0.00 C ATOM 1552 O THR A 96 8.318 5.602 5.950 1.00 0.00 O ATOM 1553 CB THR A 96 7.638 8.540 4.676 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.635 8.808 5.640 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.469 9.535 3.548 1.00 0.00 C ATOM 0 H THR A 96 5.577 7.228 3.577 1.00 0.00 H new ATOM 0 HA THR A 96 8.508 6.824 3.727 1.00 0.00 H new ATOM 0 HB THR A 96 8.635 8.662 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.977 8.599 6.534 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.529 10.548 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.258 9.387 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.498 9.387 3.075 1.00 0.00 H new ATOM 1563 N ASN A 97 6.109 6.018 5.823 1.00 0.00 N ATOM 1564 CA ASN A 97 5.765 5.165 6.954 1.00 0.00 C ATOM 1565 C ASN A 97 4.740 4.113 6.542 1.00 0.00 C ATOM 1566 O ASN A 97 3.961 3.634 7.365 1.00 0.00 O ATOM 1567 CB ASN A 97 5.216 6.006 8.107 1.00 0.00 C ATOM 1568 CG ASN A 97 6.277 6.887 8.737 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.493 8.062 8.154 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 6.895 6.518 9.734 1.00 0.00 N flip ATOM 0 H ASN A 97 5.311 6.479 5.386 1.00 0.00 H new ATOM 0 HA ASN A 97 6.671 4.658 7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.400 6.630 7.742 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.797 5.346 8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.697 5.608 10.149 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.606 7.122 10.146 1.00 0.00 H new ATOM 1577 N THR A 98 4.744 3.761 5.257 1.00 0.00 N ATOM 1578 CA THR A 98 3.812 2.768 4.729 1.00 0.00 C ATOM 1579 C THR A 98 3.765 1.503 5.595 1.00 0.00 C ATOM 1580 O THR A 98 2.680 1.015 5.912 1.00 0.00 O ATOM 1581 CB THR A 98 4.145 2.410 3.271 1.00 0.00 C ATOM 1582 OG1 THR A 98 3.566 1.167 2.918 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.627 2.321 2.970 1.00 0.00 C ATOM 0 H THR A 98 5.383 4.149 4.563 1.00 0.00 H new ATOM 0 HA THR A 98 2.821 3.222 4.755 1.00 0.00 H new ATOM 0 HB THR A 98 3.733 3.232 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.195 0.658 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.770 2.064 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.099 3.282 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.080 1.553 3.597 1.00 0.00 H new ATOM 1591 N PRO A 99 4.927 0.944 6.000 1.00 0.00 N ATOM 1592 CA PRO A 99 4.960 -0.264 6.832 1.00 0.00 C ATOM 1593 C PRO A 99 4.076 -0.136 8.068 1.00 0.00 C ATOM 1594 O PRO A 99 3.565 -1.130 8.583 1.00 0.00 O ATOM 1595 CB PRO A 99 6.437 -0.400 7.238 1.00 0.00 C ATOM 1596 CG PRO A 99 7.078 0.893 6.855 1.00 0.00 C ATOM 1597 CD PRO A 99 6.284 1.421 5.699 1.00 0.00 C ATOM 0 HA PRO A 99 4.580 -1.132 6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.534 -0.584 8.308 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.909 -1.239 6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.068 1.595 7.688 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.121 0.744 6.576 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.328 2.509 5.640 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.648 1.035 4.747 1.00 0.00 H new ATOM 1605 N ALA A 100 3.895 1.095 8.535 1.00 0.00 N ATOM 1606 CA ALA A 100 3.067 1.352 9.705 1.00 0.00 C ATOM 1607 C ALA A 100 1.587 1.304 9.343 1.00 0.00 C ATOM 1608 O ALA A 100 0.749 0.911 10.155 1.00 0.00 O ATOM 1609 CB ALA A 100 3.422 2.697 10.321 1.00 0.00 C ATOM 0 H ALA A 100 4.311 1.929 8.121 1.00 0.00 H new ATOM 0 HA ALA A 100 3.262 0.571 10.440 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.794 2.874 11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.470 2.694 10.622 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.257 3.487 9.589 1.00 0.00 H new ATOM 1615 N VAL A 101 1.273 1.703 8.114 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.104 1.701 7.639 1.00 0.00 C ATOM 1617 C VAL A 101 -0.560 0.288 7.295 1.00 0.00 C ATOM 1618 O VAL A 101 -1.748 -0.028 7.372 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.271 2.599 6.397 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.738 2.703 6.002 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.320 3.977 6.653 1.00 0.00 C ATOM 0 H VAL A 101 1.955 2.032 7.430 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.720 2.094 8.447 1.00 0.00 H new ATOM 0 HB VAL A 101 0.271 2.144 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.834 3.341 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.124 1.710 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.307 3.133 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.193 4.598 5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.191 4.441 7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.382 3.881 6.880 1.00 0.00 H new ATOM 1631 N ILE A 102 0.391 -0.561 6.917 1.00 0.00 N ATOM 1632 CA ILE A 102 0.088 -1.941 6.563 1.00 0.00 C ATOM 1633 C ILE A 102 -0.183 -2.781 7.807 1.00 0.00 C ATOM 1634 O ILE A 102 -0.995 -3.706 7.778 1.00 0.00 O ATOM 1635 CB ILE A 102 1.240 -2.582 5.765 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.604 -1.710 4.562 1.00 0.00 C ATOM 1637 CG2 ILE A 102 0.860 -3.985 5.314 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.082 -1.711 4.240 1.00 0.00 C ATOM 0 H ILE A 102 1.379 -0.316 6.848 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.807 -1.919 5.941 1.00 0.00 H new ATOM 0 HB ILE A 102 2.113 -2.656 6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.050 -2.058 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.283 -0.686 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.685 -4.422 4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.648 -4.603 6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.025 -3.936 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.267 -1.072 3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.641 -1.334 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.405 -2.728 4.015 1.00 0.00 H new ATOM 1650 N SER A 103 0.503 -2.455 8.898 1.00 0.00 N ATOM 1651 CA SER A 103 0.337 -3.181 10.153 1.00 0.00 C ATOM 1652 C SER A 103 -1.123 -3.184 10.595 1.00 0.00 C ATOM 1653 O SER A 103 -1.647 -4.207 11.036 1.00 0.00 O ATOM 1654 CB SER A 103 1.212 -2.562 11.245 1.00 0.00 C ATOM 1655 OG SER A 103 2.576 -2.891 11.054 1.00 0.00 O ATOM 0 H SER A 103 1.179 -1.693 8.939 1.00 0.00 H new ATOM 0 HA SER A 103 0.648 -4.213 9.989 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.092 -1.479 11.241 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.883 -2.915 12.222 1.00 0.00 H new ATOM 0 HG SER A 103 2.930 -2.389 10.291 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.775 -2.032 10.473 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.174 -1.903 10.858 1.00 0.00 C ATOM 1663 C ALA A 104 -4.051 -2.866 10.063 1.00 0.00 C ATOM 1664 O ALA A 104 -5.040 -3.389 10.575 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.643 -0.470 10.661 1.00 0.00 C ATOM 0 H ALA A 104 -1.356 -1.175 10.111 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.263 -2.160 11.914 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.690 -0.387 10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.041 0.198 11.277 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.535 -0.193 9.612 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.676 -3.097 8.809 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.420 -3.999 7.938 1.00 0.00 C ATOM 1673 C PHE A 105 -4.481 -5.402 8.533 1.00 0.00 C ATOM 1674 O PHE A 105 -5.487 -6.099 8.402 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.766 -4.052 6.555 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.680 -4.530 5.460 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.189 -5.820 5.466 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -5.022 -3.689 4.414 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -6.017 -6.257 4.454 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.851 -4.122 3.400 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.348 -5.409 3.421 1.00 0.00 C ATOM 0 H PHE A 105 -2.859 -2.670 8.373 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.437 -3.618 7.843 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.400 -3.057 6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.897 -4.709 6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.934 -6.490 6.273 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.635 -2.681 4.392 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.406 -7.264 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.111 -3.455 2.591 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.996 -5.751 2.628 1.00 0.00 H new ATOM 1691 N SER A 106 -3.396 -5.812 9.182 1.00 0.00 N ATOM 1692 CA SER A 106 -3.325 -7.134 9.790 1.00 0.00 C ATOM 1693 C SER A 106 -4.253 -7.239 10.994 1.00 0.00 C ATOM 1694 O SER A 106 -4.808 -8.304 11.269 1.00 0.00 O ATOM 1695 CB SER A 106 -1.889 -7.456 10.205 1.00 0.00 C ATOM 1696 OG SER A 106 -1.832 -8.653 10.961 1.00 0.00 O ATOM 0 H SER A 106 -2.555 -5.247 9.300 1.00 0.00 H new ATOM 0 HA SER A 106 -3.650 -7.860 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.264 -7.553 9.317 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.484 -6.632 10.792 1.00 0.00 H new ATOM 0 HG SER A 106 -0.903 -8.837 11.213 1.00 0.00 H new ATOM 1702 N THR A 107 -4.429 -6.134 11.705 1.00 0.00 N ATOM 1703 CA THR A 107 -5.304 -6.118 12.869 1.00 0.00 C ATOM 1704 C THR A 107 -6.727 -5.777 12.458 1.00 0.00 C ATOM 1705 O THR A 107 -7.685 -6.168 13.125 1.00 0.00 O ATOM 1706 CB THR A 107 -4.799 -5.121 13.913 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.468 -5.425 14.295 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.641 -5.091 15.169 1.00 0.00 C ATOM 0 H THR A 107 -3.980 -5.242 11.498 1.00 0.00 H new ATOM 0 HA THR A 107 -5.298 -7.113 13.314 1.00 0.00 H new ATOM 0 HB THR A 107 -4.859 -4.145 13.432 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.163 -4.775 14.962 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.227 -4.363 15.867 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.663 -4.810 14.915 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.640 -6.078 15.631 1.00 0.00 H new ATOM 1716 N MET A 108 -6.863 -5.067 11.345 1.00 0.00 N ATOM 1717 CA MET A 108 -8.173 -4.705 10.844 1.00 0.00 C ATOM 1718 C MET A 108 -8.744 -5.847 10.015 1.00 0.00 C ATOM 1719 O MET A 108 -9.959 -5.983 9.884 1.00 0.00 O ATOM 1720 CB MET A 108 -8.091 -3.429 10.012 1.00 0.00 C ATOM 1721 CG MET A 108 -7.848 -2.182 10.847 1.00 0.00 C ATOM 1722 SD MET A 108 -6.695 -1.036 10.069 1.00 0.00 S ATOM 1723 CE MET A 108 -6.771 0.343 11.208 1.00 0.00 C ATOM 0 H MET A 108 -6.083 -4.734 10.778 1.00 0.00 H new ATOM 0 HA MET A 108 -8.835 -4.519 11.689 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.289 -3.531 9.281 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.018 -3.308 9.452 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.797 -1.675 11.019 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.461 -2.473 11.823 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.781 0.789 11.306 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.469 1.089 10.830 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.109 -0.009 12.183 1.00 0.00 H new ATOM 1733 N MET A 109 -7.857 -6.681 9.469 1.00 0.00 N ATOM 1734 CA MET A 109 -8.286 -7.819 8.671 1.00 0.00 C ATOM 1735 C MET A 109 -8.820 -8.933 9.566 1.00 0.00 C ATOM 1736 O MET A 109 -9.434 -9.877 9.082 1.00 0.00 O ATOM 1737 CB MET A 109 -7.135 -8.349 7.815 1.00 0.00 C ATOM 1738 CG MET A 109 -6.009 -8.967 8.623 1.00 0.00 C ATOM 1739 SD MET A 109 -4.782 -9.791 7.590 1.00 0.00 S ATOM 1740 CE MET A 109 -4.750 -11.418 8.337 1.00 0.00 C ATOM 0 H MET A 109 -6.846 -6.587 9.567 1.00 0.00 H new ATOM 0 HA MET A 109 -9.085 -7.481 8.011 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.523 -9.094 7.121 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.734 -7.532 7.215 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.520 -8.190 9.211 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.426 -9.686 9.329 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.035 -12.048 7.807 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.453 -11.333 9.382 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.742 -11.866 8.277 1.00 0.00 H new ATOM 1750 N SER A 110 -8.585 -8.827 10.874 1.00 0.00 N ATOM 1751 CA SER A 110 -9.064 -9.841 11.806 1.00 0.00 C ATOM 1752 C SER A 110 -10.431 -9.461 12.364 1.00 0.00 C ATOM 1753 O SER A 110 -11.178 -10.317 12.836 1.00 0.00 O ATOM 1754 CB SER A 110 -8.064 -10.037 12.947 1.00 0.00 C ATOM 1755 OG SER A 110 -6.942 -10.790 12.520 1.00 0.00 O ATOM 0 H SER A 110 -8.072 -8.058 11.306 1.00 0.00 H new ATOM 0 HA SER A 110 -9.162 -10.780 11.262 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.735 -9.066 13.316 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.552 -10.546 13.779 1.00 0.00 H new ATOM 0 HG SER A 110 -6.318 -10.899 13.267 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.759 -8.174 12.297 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.042 -7.695 12.785 1.00 0.00 C ATOM 1763 C VAL A 111 -13.148 -7.948 11.762 1.00 0.00 C ATOM 1764 O VAL A 111 -14.332 -7.863 12.084 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.995 -6.189 13.120 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -11.731 -5.362 11.869 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -13.287 -5.754 13.795 1.00 0.00 C ATOM 0 H VAL A 111 -10.155 -7.449 11.911 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.261 -8.251 13.697 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.172 -6.018 13.813 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.703 -4.304 12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.775 -5.654 11.435 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.526 -5.535 11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -13.237 -4.690 14.024 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -14.128 -5.942 13.127 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -13.423 -6.318 14.718 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.756 -8.263 10.527 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.715 -8.527 9.472 1.00 0.00 C ATOM 1779 C HIS A 112 -14.316 -9.921 9.618 1.00 0.00 C ATOM 1780 O HIS A 112 -15.436 -10.173 9.174 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.039 -8.384 8.110 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.359 -9.628 7.629 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.612 -10.451 8.440 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.330 -10.186 6.406 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.153 -11.465 7.730 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.576 -11.328 6.490 1.00 0.00 N ATOM 0 H HIS A 112 -11.780 -8.340 10.240 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.523 -7.800 9.550 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.787 -8.085 7.375 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.305 -7.580 8.164 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.813 -9.804 5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.536 -12.269 8.102 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -11.376 -11.966 5.720 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.562 -10.828 10.235 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.026 -12.195 10.423 1.00 0.00 C ATOM 1797 C ARG A 113 -15.188 -12.243 11.411 1.00 0.00 C ATOM 1798 O ARG A 113 -16.079 -13.085 11.295 1.00 0.00 O ATOM 1799 CB ARG A 113 -12.882 -13.084 10.914 1.00 0.00 C ATOM 1800 CG ARG A 113 -12.900 -14.483 10.319 1.00 0.00 C ATOM 1801 CD ARG A 113 -11.495 -14.985 10.034 1.00 0.00 C ATOM 1802 NE ARG A 113 -11.502 -16.208 9.234 1.00 0.00 N ATOM 1803 CZ ARG A 113 -10.448 -16.655 8.555 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -9.302 -15.987 8.578 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -10.541 -17.776 7.852 1.00 0.00 N ATOM 0 H ARG A 113 -12.632 -10.640 10.610 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.376 -12.569 9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.932 -12.607 10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.932 -13.159 12.000 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.399 -15.166 11.007 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.480 -14.480 9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.933 -14.212 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.978 -15.171 10.976 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.365 -16.751 9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.225 -15.125 9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.498 -16.335 8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.419 -18.294 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.734 -18.120 7.331 1.00 0.00 H new