USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 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 27 SER OG : rot -150:sc= -0.597 USER MOD Set 1.2: A 112 HIS : no HE2:sc= -2.35! C(o=-3!,f=-12!) USER MOD Set 2.1: A 96 THR OG1 : rot 95:sc= 0.095 USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= 0.293 F(o=-0.21,f=0.39) USER MOD Set 3.1: A 79 SER OG : rot -149:sc= 0.269 USER MOD Set 3.2: A 82 THR OG1 : rot -58:sc= -3.43! USER MOD Set 4.1: A 31 LYS NZ :NH3+ 171:sc= 0.00302 (180deg=0) USER MOD Set 4.2: A 34 GLN : amide:sc= -3.97 K(o=-4,f=-8.7!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 175:sc= -0.92 USER MOD Single : A 23 TYR OH : rot -110:sc= -0.0193 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc=-0.00515 K(o=-0.0051,f=-0.71) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -148:sc= -6.72! (180deg=-7.95!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.84 K(o=-1.8,f=-6!) 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= -0.133 USER MOD Single : A 65 LYS NZ :NH3+ 140:sc= -0.0441 (180deg=-0.712) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 156:sc= -0.94 (180deg=-1.94!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.579 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 83 SER OG : rot 70:sc= 0.213 USER MOD Single : A 84 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.5!) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 130:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 78:sc= 0.723 USER MOD Single : B 9 SER OG : rot 156:sc= 0 USER MOD Single : B 10 SER OG : rot -150:sc= -0.141 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 0.658 -12.557 -5.184 1.00 0.00 N ATOM 223 CA ILE A 14 1.827 -11.617 -4.954 1.00 0.00 C ATOM 224 C ILE A 14 1.341 -10.223 -4.497 1.00 0.00 C ATOM 225 O ILE A 14 2.009 -9.562 -3.724 1.00 0.00 O ATOM 226 CB ILE A 14 2.579 -11.505 -6.301 1.00 0.00 C ATOM 227 CG1 ILE A 14 3.773 -10.544 -6.167 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.633 -10.972 -7.381 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.728 -11.027 -5.068 1.00 0.00 C ATOM 0 HA ILE A 14 2.475 -12.002 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 14 2.940 -12.495 -6.579 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.304 -10.479 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.416 -9.541 -5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.168 -10.895 -8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.790 -11.654 -7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.267 -9.987 -7.090 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.567 -10.336 -4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.197 -11.068 -4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.099 -12.021 -5.319 1.00 0.00 H new ATOM 241 N GLU A 15 0.184 -9.773 -4.952 1.00 0.00 N ATOM 242 CA GLU A 15 -0.317 -8.417 -4.507 1.00 0.00 C ATOM 243 C GLU A 15 -0.356 -8.349 -2.969 1.00 0.00 C ATOM 244 O GLU A 15 -0.075 -7.320 -2.389 1.00 0.00 O ATOM 245 CB GLU A 15 -1.733 -8.241 -5.086 1.00 0.00 C ATOM 246 CG GLU A 15 -1.674 -7.318 -6.307 1.00 0.00 C ATOM 247 CD GLU A 15 -2.997 -6.559 -6.442 1.00 0.00 C ATOM 248 OE1 GLU A 15 -4.022 -7.127 -6.102 1.00 0.00 O ATOM 249 OE2 GLU A 15 -2.961 -5.423 -6.883 1.00 0.00 O ATOM 0 H GLU A 15 -0.425 -10.274 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 15 0.342 -7.624 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.145 -9.210 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.397 -7.820 -4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.848 -6.614 -6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.484 -7.902 -7.208 1.00 0.00 H new ATOM 256 N GLY A 16 -0.681 -9.440 -2.301 1.00 0.00 N ATOM 257 CA GLY A 16 -0.701 -9.416 -0.809 1.00 0.00 C ATOM 258 C GLY A 16 0.742 -9.262 -0.303 1.00 0.00 C ATOM 259 O GLY A 16 0.995 -8.533 0.637 1.00 0.00 O ATOM 0 H GLY A 16 -0.930 -10.333 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.317 -8.591 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.142 -10.334 -0.422 1.00 0.00 H new ATOM 263 N ARG A 17 1.696 -9.930 -0.929 1.00 0.00 N ATOM 264 CA ARG A 17 3.129 -9.790 -0.475 1.00 0.00 C ATOM 265 C ARG A 17 3.562 -8.313 -0.491 1.00 0.00 C ATOM 266 O ARG A 17 4.425 -7.920 0.267 1.00 0.00 O ATOM 267 CB ARG A 17 3.991 -10.599 -1.458 1.00 0.00 C ATOM 268 CG ARG A 17 5.237 -11.118 -0.739 1.00 0.00 C ATOM 269 CD ARG A 17 4.895 -12.411 0.006 1.00 0.00 C ATOM 270 NE ARG A 17 4.859 -13.463 -1.049 1.00 0.00 N ATOM 271 CZ ARG A 17 5.962 -14.051 -1.421 1.00 0.00 C ATOM 272 NH1 ARG A 17 6.703 -14.666 -0.540 1.00 0.00 N ATOM 273 NH2 ARG A 17 6.326 -14.024 -2.674 1.00 0.00 N ATOM 0 H ARG A 17 1.548 -10.556 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 17 3.244 -10.156 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.416 -11.434 -1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.280 -9.975 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.035 -11.300 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.604 -10.368 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.643 -12.639 0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.935 -12.331 0.517 1.00 0.00 H new ATOM 0 HE ARG A 17 3.972 -13.723 -1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.419 -14.687 0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.566 -15.126 -0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.748 -13.543 -3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.189 -14.484 -2.964 1.00 0.00 H new ATOM 287 N TYR A 18 2.980 -7.482 -1.342 1.00 0.00 N ATOM 288 CA TYR A 18 3.396 -6.028 -1.365 1.00 0.00 C ATOM 289 C TYR A 18 3.193 -5.413 0.025 1.00 0.00 C ATOM 290 O TYR A 18 4.079 -4.764 0.552 1.00 0.00 O ATOM 291 CB TYR A 18 2.485 -5.309 -2.382 1.00 0.00 C ATOM 292 CG TYR A 18 3.192 -5.124 -3.703 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.875 -6.191 -4.302 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.145 -3.879 -4.339 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.513 -6.008 -5.535 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.780 -3.696 -5.570 1.00 0.00 C ATOM 297 CZ TYR A 18 4.464 -4.760 -6.169 1.00 0.00 C ATOM 298 OH TYR A 18 5.091 -4.581 -7.386 1.00 0.00 O ATOM 0 H TYR A 18 2.251 -7.740 -2.007 1.00 0.00 H new ATOM 0 HA TYR A 18 4.446 -5.929 -1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.573 -5.887 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.186 -4.338 -1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.909 -7.153 -3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.617 -3.058 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.042 -6.828 -5.997 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.743 -2.734 -6.059 1.00 0.00 H new ATOM 0 HH TYR A 18 4.960 -3.658 -7.689 1.00 0.00 H new ATOM 308 N ALA A 19 2.043 -5.622 0.631 1.00 0.00 N ATOM 309 CA ALA A 19 1.822 -5.045 2.003 1.00 0.00 C ATOM 310 C ALA A 19 2.647 -5.840 3.022 1.00 0.00 C ATOM 311 O ALA A 19 3.211 -5.272 3.939 1.00 0.00 O ATOM 312 CB ALA A 19 0.321 -5.162 2.318 1.00 0.00 C ATOM 0 H ALA A 19 1.263 -6.155 0.246 1.00 0.00 H new ATOM 0 HA ALA A 19 2.133 -4.001 2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.124 -4.752 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.251 -4.606 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.025 -6.211 2.294 1.00 0.00 H new ATOM 318 N THR A 20 2.738 -7.148 2.867 1.00 0.00 N ATOM 319 CA THR A 20 3.551 -7.950 3.843 1.00 0.00 C ATOM 320 C THR A 20 5.039 -7.602 3.698 1.00 0.00 C ATOM 321 O THR A 20 5.758 -7.575 4.681 1.00 0.00 O ATOM 322 CB THR A 20 3.293 -9.439 3.541 1.00 0.00 C ATOM 323 OG1 THR A 20 2.229 -9.555 2.602 1.00 0.00 O ATOM 324 CG2 THR A 20 2.914 -10.154 4.842 1.00 0.00 C ATOM 0 H THR A 20 2.293 -7.683 2.121 1.00 0.00 H new ATOM 0 HA THR A 20 3.266 -7.725 4.871 1.00 0.00 H new ATOM 0 HB THR A 20 4.191 -9.893 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.118 -10.495 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.730 -11.209 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.729 -10.061 5.559 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.013 -9.702 5.256 1.00 0.00 H new ATOM 332 N ALA A 21 5.513 -7.298 2.502 1.00 0.00 N ATOM 333 CA ALA A 21 6.961 -6.915 2.368 1.00 0.00 C ATOM 334 C ALA A 21 7.174 -5.462 2.843 1.00 0.00 C ATOM 335 O ALA A 21 8.298 -5.051 3.067 1.00 0.00 O ATOM 336 CB ALA A 21 7.323 -7.057 0.883 1.00 0.00 C ATOM 0 H ALA A 21 4.974 -7.299 1.636 1.00 0.00 H new ATOM 0 HA ALA A 21 7.595 -7.555 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.369 -6.788 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.165 -8.088 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.692 -6.395 0.290 1.00 0.00 H new ATOM 342 N LEU A 22 6.117 -4.685 3.030 1.00 0.00 N ATOM 343 CA LEU A 22 6.305 -3.281 3.522 1.00 0.00 C ATOM 344 C LEU A 22 6.081 -3.262 5.031 1.00 0.00 C ATOM 345 O LEU A 22 6.857 -2.675 5.764 1.00 0.00 O ATOM 346 CB LEU A 22 5.256 -2.422 2.804 1.00 0.00 C ATOM 347 CG LEU A 22 5.400 -0.959 3.246 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.157 -0.170 2.176 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.013 -0.343 3.443 1.00 0.00 C ATOM 0 H LEU A 22 5.150 -4.964 2.864 1.00 0.00 H new ATOM 0 HA LEU A 22 7.306 -2.900 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.384 -2.501 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.254 -2.785 3.034 1.00 0.00 H new ATOM 0 HG LEU A 22 5.953 -0.921 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.258 0.868 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.147 -0.604 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.607 -0.211 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.117 0.696 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.460 -0.385 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.473 -0.901 4.208 1.00 0.00 H new ATOM 361 N TYR A 23 5.052 -3.930 5.513 1.00 0.00 N ATOM 362 CA TYR A 23 4.841 -3.962 6.984 1.00 0.00 C ATOM 363 C TYR A 23 5.877 -4.915 7.632 1.00 0.00 C ATOM 364 O TYR A 23 6.071 -4.858 8.827 1.00 0.00 O ATOM 365 CB TYR A 23 3.355 -4.371 7.215 1.00 0.00 C ATOM 366 CG TYR A 23 3.215 -5.730 7.860 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.579 -5.913 9.195 1.00 0.00 C ATOM 368 CD2 TYR A 23 2.742 -6.799 7.110 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.462 -7.171 9.786 1.00 0.00 C ATOM 370 CE2 TYR A 23 2.627 -8.060 7.689 1.00 0.00 C ATOM 371 CZ TYR A 23 2.983 -8.252 9.033 1.00 0.00 C ATOM 372 OH TYR A 23 2.868 -9.501 9.607 1.00 0.00 O ATOM 0 H TYR A 23 4.367 -4.442 4.956 1.00 0.00 H new ATOM 0 HA TYR A 23 5.002 -2.996 7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.871 -3.624 7.844 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.830 -4.372 6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.952 -5.079 9.771 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.463 -6.652 6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.740 -7.312 10.820 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.263 -8.891 7.103 1.00 0.00 H new ATOM 0 HH TYR A 23 3.541 -10.101 9.223 1.00 0.00 H new ATOM 382 N SER A 24 6.567 -5.776 6.870 1.00 0.00 N ATOM 383 CA SER A 24 7.603 -6.678 7.515 1.00 0.00 C ATOM 384 C SER A 24 8.536 -5.813 8.378 1.00 0.00 C ATOM 385 O SER A 24 8.855 -6.162 9.500 1.00 0.00 O ATOM 386 CB SER A 24 8.387 -7.347 6.376 1.00 0.00 C ATOM 387 OG SER A 24 9.734 -7.549 6.786 1.00 0.00 O ATOM 0 H SER A 24 6.457 -5.885 5.862 1.00 0.00 H new ATOM 0 HA SER A 24 7.146 -7.436 8.151 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.928 -8.300 6.114 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.357 -6.723 5.483 1.00 0.00 H new ATOM 0 HG SER A 24 10.236 -7.977 6.061 1.00 0.00 H new ATOM 393 N ALA A 25 8.907 -4.644 7.889 1.00 0.00 N ATOM 394 CA ALA A 25 9.736 -3.723 8.729 1.00 0.00 C ATOM 395 C ALA A 25 8.800 -3.130 9.794 1.00 0.00 C ATOM 396 O ALA A 25 9.153 -3.033 10.953 1.00 0.00 O ATOM 397 CB ALA A 25 10.272 -2.622 7.799 1.00 0.00 C ATOM 0 H ALA A 25 8.673 -4.297 6.959 1.00 0.00 H new ATOM 0 HA ALA A 25 10.573 -4.223 9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.884 -1.927 8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.877 -3.073 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.436 -2.085 7.351 1.00 0.00 H new ATOM 403 N ALA A 26 7.584 -2.759 9.409 1.00 0.00 N ATOM 404 CA ALA A 26 6.608 -2.201 10.420 1.00 0.00 C ATOM 405 C ALA A 26 6.451 -3.184 11.598 1.00 0.00 C ATOM 406 O ALA A 26 6.374 -2.776 12.741 1.00 0.00 O ATOM 407 CB ALA A 26 5.261 -2.048 9.691 1.00 0.00 C ATOM 0 H ALA A 26 7.233 -2.818 8.453 1.00 0.00 H new ATOM 0 HA ALA A 26 6.956 -1.248 10.818 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.518 -1.647 10.380 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.379 -1.367 8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.931 -3.021 9.328 1.00 0.00 H new ATOM 413 N SER A 27 6.408 -4.479 11.331 1.00 0.00 N ATOM 414 CA SER A 27 6.263 -5.478 12.459 1.00 0.00 C ATOM 415 C SER A 27 7.411 -5.282 13.461 1.00 0.00 C ATOM 416 O SER A 27 7.200 -5.289 14.660 1.00 0.00 O ATOM 417 CB SER A 27 6.351 -6.876 11.827 1.00 0.00 C ATOM 418 OG SER A 27 5.882 -7.842 12.759 1.00 0.00 O ATOM 0 H SER A 27 6.466 -4.884 10.396 1.00 0.00 H new ATOM 0 HA SER A 27 5.319 -5.350 12.988 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.755 -6.914 10.915 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.380 -7.096 11.544 1.00 0.00 H new ATOM 0 HG SER A 27 6.342 -8.694 12.607 1.00 0.00 H new ATOM 424 N LYS A 28 8.624 -5.085 12.979 1.00 0.00 N ATOM 425 CA LYS A 28 9.773 -4.863 13.926 1.00 0.00 C ATOM 426 C LYS A 28 9.569 -3.532 14.664 1.00 0.00 C ATOM 427 O LYS A 28 9.828 -3.432 15.849 1.00 0.00 O ATOM 428 CB LYS A 28 11.051 -4.811 13.074 1.00 0.00 C ATOM 429 CG LYS A 28 12.271 -5.048 13.967 1.00 0.00 C ATOM 430 CD LYS A 28 13.524 -4.505 13.276 1.00 0.00 C ATOM 431 CE LYS A 28 14.203 -5.631 12.491 1.00 0.00 C ATOM 432 NZ LYS A 28 15.556 -5.105 12.160 1.00 0.00 N ATOM 0 H LYS A 28 8.864 -5.069 11.988 1.00 0.00 H new ATOM 0 HA LYS A 28 9.841 -5.658 14.668 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.009 -5.567 12.290 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.132 -3.843 12.579 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.131 -4.556 14.929 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.386 -6.113 14.168 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.257 -3.689 12.605 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.212 -4.097 14.016 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.268 -6.543 13.084 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.643 -5.877 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.084 -5.820 11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.462 -4.241 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.068 -4.886 13.038 1.00 0.00 H new ATOM 446 N GLN A 29 9.088 -2.509 13.980 1.00 0.00 N ATOM 447 CA GLN A 29 8.852 -1.194 14.673 1.00 0.00 C ATOM 448 C GLN A 29 7.454 -1.142 15.330 1.00 0.00 C ATOM 449 O GLN A 29 7.090 -0.136 15.908 1.00 0.00 O ATOM 450 CB GLN A 29 8.972 -0.111 13.590 1.00 0.00 C ATOM 451 CG GLN A 29 10.445 0.247 13.387 1.00 0.00 C ATOM 452 CD GLN A 29 10.551 1.514 12.530 1.00 0.00 C ATOM 453 OE1 GLN A 29 10.958 2.551 13.015 1.00 0.00 O ATOM 454 NE2 GLN A 29 10.200 1.481 11.267 1.00 0.00 N ATOM 0 H GLN A 29 8.853 -2.528 12.988 1.00 0.00 H new ATOM 0 HA GLN A 29 9.577 -1.048 15.474 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.541 -0.468 12.654 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.408 0.775 13.883 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.928 0.406 14.351 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.967 -0.578 12.902 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.858 0.613 10.855 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.269 2.324 10.696 1.00 0.00 H new ATOM 463 N ASN A 30 6.653 -2.202 15.254 1.00 0.00 N ATOM 464 CA ASN A 30 5.288 -2.186 15.878 1.00 0.00 C ATOM 465 C ASN A 30 4.401 -1.165 15.159 1.00 0.00 C ATOM 466 O ASN A 30 3.652 -0.439 15.784 1.00 0.00 O ATOM 467 CB ASN A 30 5.478 -1.801 17.355 1.00 0.00 C ATOM 468 CG ASN A 30 4.467 -2.567 18.217 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.375 -2.859 17.771 1.00 0.00 O ATOM 470 ND2 ASN A 30 4.780 -2.908 19.444 1.00 0.00 N ATOM 0 H ASN A 30 6.897 -3.074 14.783 1.00 0.00 H new ATOM 0 HA ASN A 30 4.801 -3.158 15.797 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.494 -2.033 17.675 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.341 -0.727 17.483 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.108 -3.416 20.019 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.695 -2.665 19.823 1.00 0.00 H new ATOM 477 N LYS A 31 4.472 -1.113 13.843 1.00 0.00 N ATOM 478 CA LYS A 31 3.617 -0.145 13.092 1.00 0.00 C ATOM 479 C LYS A 31 2.465 -0.862 12.349 1.00 0.00 C ATOM 480 O LYS A 31 1.835 -0.269 11.495 1.00 0.00 O ATOM 481 CB LYS A 31 4.560 0.538 12.099 1.00 0.00 C ATOM 482 CG LYS A 31 5.472 1.511 12.849 1.00 0.00 C ATOM 483 CD LYS A 31 4.846 2.907 12.846 1.00 0.00 C ATOM 484 CE LYS A 31 5.952 3.964 12.789 1.00 0.00 C ATOM 485 NZ LYS A 31 6.334 4.200 14.211 1.00 0.00 N ATOM 0 H LYS A 31 5.080 -1.695 13.267 1.00 0.00 H new ATOM 0 HA LYS A 31 3.141 0.569 13.764 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.158 -0.209 11.577 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.985 1.072 11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.620 1.170 13.874 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.454 1.541 12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.180 3.016 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.240 3.047 13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.803 3.614 12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.598 4.881 12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.186 4.795 14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.555 4.680 14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.528 3.289 14.674 1.00 0.00 H new ATOM 499 N LEU A 32 2.159 -2.119 12.671 1.00 0.00 N ATOM 500 CA LEU A 32 1.017 -2.834 11.976 1.00 0.00 C ATOM 501 C LEU A 32 -0.232 -1.940 11.961 1.00 0.00 C ATOM 502 O LEU A 32 -0.942 -1.886 10.980 1.00 0.00 O ATOM 503 CB LEU A 32 0.763 -4.112 12.808 1.00 0.00 C ATOM 504 CG LEU A 32 1.665 -5.277 12.340 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.061 -5.901 11.086 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.098 -4.802 12.045 1.00 0.00 C ATOM 0 H LEU A 32 2.647 -2.671 13.377 1.00 0.00 H new ATOM 0 HA LEU A 32 1.253 -3.073 10.939 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.950 -3.905 13.862 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.284 -4.403 12.721 1.00 0.00 H new ATOM 0 HG LEU A 32 1.719 -6.014 13.142 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.691 -6.724 10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.063 -6.277 11.311 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.996 -5.148 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.702 -5.649 11.719 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.077 -4.047 11.259 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.532 -4.373 12.948 1.00 0.00 H new ATOM 518 N GLU A 33 -0.476 -1.198 13.023 1.00 0.00 N ATOM 519 CA GLU A 33 -1.661 -0.274 13.016 1.00 0.00 C ATOM 520 C GLU A 33 -1.323 0.938 12.131 1.00 0.00 C ATOM 521 O GLU A 33 -2.134 1.379 11.340 1.00 0.00 O ATOM 522 CB GLU A 33 -1.896 0.166 14.470 1.00 0.00 C ATOM 523 CG GLU A 33 -3.396 0.339 14.717 1.00 0.00 C ATOM 524 CD GLU A 33 -3.623 0.873 16.132 1.00 0.00 C ATOM 525 OE1 GLU A 33 -2.937 0.420 17.032 1.00 0.00 O ATOM 526 OE2 GLU A 33 -4.480 1.726 16.291 1.00 0.00 O ATOM 0 H GLU A 33 0.082 -1.192 13.877 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.557 -0.755 12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.487 -0.576 15.156 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.374 1.103 14.666 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.819 1.027 13.985 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.908 -0.615 14.590 1.00 0.00 H new ATOM 533 N GLN A 34 -0.115 1.462 12.241 1.00 0.00 N ATOM 534 CA GLN A 34 0.277 2.632 11.374 1.00 0.00 C ATOM 535 C GLN A 34 0.214 2.244 9.889 1.00 0.00 C ATOM 536 O GLN A 34 -0.019 3.088 9.046 1.00 0.00 O ATOM 537 CB GLN A 34 1.718 3.007 11.761 1.00 0.00 C ATOM 538 CG GLN A 34 1.732 3.642 13.161 1.00 0.00 C ATOM 539 CD GLN A 34 2.418 5.015 13.105 1.00 0.00 C ATOM 540 OE1 GLN A 34 3.509 5.177 13.614 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.823 6.018 12.507 1.00 0.00 N ATOM 0 H GLN A 34 0.606 1.135 12.884 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.403 3.471 11.524 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.351 2.119 11.748 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.131 3.704 11.031 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.712 3.750 13.531 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.258 2.991 13.860 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.907 5.885 12.079 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.276 6.931 12.470 1.00 0.00 H new ATOM 550 N VAL A 35 0.429 0.988 9.547 1.00 0.00 N ATOM 551 CA VAL A 35 0.384 0.602 8.098 1.00 0.00 C ATOM 552 C VAL A 35 -0.951 -0.093 7.759 1.00 0.00 C ATOM 553 O VAL A 35 -1.519 0.151 6.712 1.00 0.00 O ATOM 554 CB VAL A 35 1.567 -0.365 7.851 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.928 -0.340 6.365 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.812 0.033 8.675 1.00 0.00 C ATOM 0 H VAL A 35 0.630 0.229 10.198 1.00 0.00 H new ATOM 0 HA VAL A 35 0.461 1.486 7.464 1.00 0.00 H new ATOM 0 HB VAL A 35 1.259 -1.364 8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.761 -1.019 6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.067 -0.655 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.214 0.672 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.621 -0.670 8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.127 1.038 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.568 0.011 9.737 1.00 0.00 H new ATOM 566 N GLU A 36 -1.462 -0.953 8.623 1.00 0.00 N ATOM 567 CA GLU A 36 -2.769 -1.644 8.303 1.00 0.00 C ATOM 568 C GLU A 36 -3.940 -0.643 8.292 1.00 0.00 C ATOM 569 O GLU A 36 -4.918 -0.853 7.597 1.00 0.00 O ATOM 570 CB GLU A 36 -3.000 -2.701 9.396 1.00 0.00 C ATOM 571 CG GLU A 36 -4.056 -3.708 8.925 1.00 0.00 C ATOM 572 CD GLU A 36 -5.412 -3.368 9.551 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.673 -2.193 9.750 1.00 0.00 O ATOM 574 OE2 GLU A 36 -6.164 -4.289 9.822 1.00 0.00 O ATOM 0 H GLU A 36 -1.042 -1.203 9.518 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.719 -2.098 7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.066 -3.217 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.328 -2.220 10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.132 -3.688 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.759 -4.719 9.205 1.00 0.00 H new ATOM 581 N LYS A 37 -3.864 0.440 9.044 1.00 0.00 N ATOM 582 CA LYS A 37 -5.000 1.424 9.038 1.00 0.00 C ATOM 583 C LYS A 37 -4.776 2.463 7.936 1.00 0.00 C ATOM 584 O LYS A 37 -5.703 2.837 7.241 1.00 0.00 O ATOM 585 CB LYS A 37 -5.006 2.094 10.420 1.00 0.00 C ATOM 586 CG LYS A 37 -6.342 2.808 10.636 1.00 0.00 C ATOM 587 CD LYS A 37 -6.234 4.254 10.145 1.00 0.00 C ATOM 588 CE LYS A 37 -7.115 5.163 11.012 1.00 0.00 C ATOM 589 NZ LYS A 37 -6.202 6.233 11.506 1.00 0.00 N ATOM 0 H LYS A 37 -3.079 0.680 9.650 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.954 0.935 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.851 1.347 11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.185 2.807 10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.135 2.289 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.609 2.791 11.693 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.197 4.587 10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.545 4.318 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.938 5.583 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.558 4.609 11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.735 6.894 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.433 5.805 12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.801 6.748 10.696 1.00 0.00 H new ATOM 603 N GLU A 38 -3.554 2.920 7.750 1.00 0.00 N ATOM 604 CA GLU A 38 -3.300 3.917 6.665 1.00 0.00 C ATOM 605 C GLU A 38 -3.402 3.198 5.310 1.00 0.00 C ATOM 606 O GLU A 38 -4.033 3.686 4.393 1.00 0.00 O ATOM 607 CB GLU A 38 -1.886 4.456 6.917 1.00 0.00 C ATOM 608 CG GLU A 38 -1.866 5.184 8.262 1.00 0.00 C ATOM 609 CD GLU A 38 -2.204 6.661 8.051 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.235 6.933 7.458 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.426 7.495 8.486 1.00 0.00 O ATOM 0 H GLU A 38 -2.737 2.648 8.296 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.018 4.737 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.166 3.638 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.593 5.135 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.585 4.730 8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.884 5.088 8.725 1.00 0.00 H new ATOM 618 N LEU A 39 -2.817 2.020 5.187 1.00 0.00 N ATOM 619 CA LEU A 39 -2.929 1.269 3.883 1.00 0.00 C ATOM 620 C LEU A 39 -4.410 0.967 3.598 1.00 0.00 C ATOM 621 O LEU A 39 -4.852 1.049 2.468 1.00 0.00 O ATOM 622 CB LEU A 39 -2.139 -0.041 4.054 1.00 0.00 C ATOM 623 CG LEU A 39 -2.174 -0.838 2.750 1.00 0.00 C ATOM 624 CD1 LEU A 39 -1.425 -0.071 1.659 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.508 -2.200 2.967 1.00 0.00 C ATOM 0 H LEU A 39 -2.278 1.554 5.917 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.533 1.849 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.108 0.178 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.567 -0.632 4.864 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.209 -0.984 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.451 -0.641 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.900 0.898 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.389 0.078 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.532 -2.769 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.473 -2.054 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.044 -2.748 3.742 1.00 0.00 H new ATOM 637 N LEU A 40 -5.189 0.631 4.615 1.00 0.00 N ATOM 638 CA LEU A 40 -6.650 0.346 4.372 1.00 0.00 C ATOM 639 C LEU A 40 -7.325 1.568 3.719 1.00 0.00 C ATOM 640 O LEU A 40 -8.196 1.419 2.884 1.00 0.00 O ATOM 641 CB LEU A 40 -7.282 0.067 5.746 1.00 0.00 C ATOM 642 CG LEU A 40 -8.724 -0.406 5.560 1.00 0.00 C ATOM 643 CD1 LEU A 40 -8.742 -1.921 5.350 1.00 0.00 C ATOM 644 CD2 LEU A 40 -9.540 -0.056 6.808 1.00 0.00 C ATOM 0 H LEU A 40 -4.882 0.544 5.584 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.777 -0.504 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.705 -0.691 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.260 0.969 6.358 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.158 0.087 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.770 -2.258 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.161 -2.172 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.308 -2.414 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.568 -0.393 6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.105 -0.549 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.528 1.023 6.960 1.00 0.00 H new ATOM 656 N ARG A 41 -6.928 2.776 4.084 1.00 0.00 N ATOM 657 CA ARG A 41 -7.563 3.995 3.459 1.00 0.00 C ATOM 658 C ARG A 41 -7.424 3.933 1.929 1.00 0.00 C ATOM 659 O ARG A 41 -8.340 4.284 1.208 1.00 0.00 O ATOM 660 CB ARG A 41 -6.811 5.219 4.005 1.00 0.00 C ATOM 661 CG ARG A 41 -7.611 6.488 3.701 1.00 0.00 C ATOM 662 CD ARG A 41 -8.486 6.842 4.907 1.00 0.00 C ATOM 663 NE ARG A 41 -9.061 8.177 4.583 1.00 0.00 N ATOM 664 CZ ARG A 41 -10.356 8.337 4.546 1.00 0.00 C ATOM 665 NH1 ARG A 41 -11.025 8.503 5.655 1.00 0.00 N ATOM 666 NH2 ARG A 41 -10.982 8.332 3.401 1.00 0.00 N ATOM 0 H ARG A 41 -6.204 2.968 4.776 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.625 4.049 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.663 5.118 5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.822 5.283 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.934 7.312 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.233 6.336 2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.270 6.100 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.899 6.877 5.825 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.443 8.966 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.536 8.508 6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.037 8.628 5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.459 8.203 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.994 8.457 3.372 1.00 0.00 H new ATOM 680 N VAL A 42 -6.292 3.477 1.423 1.00 0.00 N ATOM 681 CA VAL A 42 -6.130 3.389 -0.073 1.00 0.00 C ATOM 682 C VAL A 42 -7.194 2.434 -0.645 1.00 0.00 C ATOM 683 O VAL A 42 -7.767 2.696 -1.686 1.00 0.00 O ATOM 684 CB VAL A 42 -4.708 2.851 -0.330 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.489 2.642 -1.832 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.687 3.865 0.190 1.00 0.00 C ATOM 0 H VAL A 42 -5.488 3.168 1.970 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.262 4.357 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.586 1.898 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.482 2.262 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.217 1.924 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.612 3.591 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.679 3.491 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.819 4.814 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.834 4.014 1.260 1.00 0.00 H new ATOM 696 N GLY A 43 -7.471 1.335 0.028 1.00 0.00 N ATOM 697 CA GLY A 43 -8.503 0.385 -0.482 1.00 0.00 C ATOM 698 C GLY A 43 -9.871 1.083 -0.487 1.00 0.00 C ATOM 699 O GLY A 43 -10.594 1.024 -1.464 1.00 0.00 O ATOM 0 H GLY A 43 -7.025 1.062 0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.246 0.055 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.538 -0.505 0.146 1.00 0.00 H new ATOM 703 N GLN A 44 -10.232 1.750 0.593 1.00 0.00 N ATOM 704 CA GLN A 44 -11.564 2.454 0.619 1.00 0.00 C ATOM 705 C GLN A 44 -11.585 3.558 -0.449 1.00 0.00 C ATOM 706 O GLN A 44 -12.570 3.734 -1.140 1.00 0.00 O ATOM 707 CB GLN A 44 -11.719 3.068 2.020 1.00 0.00 C ATOM 708 CG GLN A 44 -13.137 3.620 2.180 1.00 0.00 C ATOM 709 CD GLN A 44 -13.330 4.124 3.616 1.00 0.00 C ATOM 710 OE1 GLN A 44 -12.733 5.107 4.007 1.00 0.00 O ATOM 711 NE2 GLN A 44 -14.146 3.494 4.425 1.00 0.00 N ATOM 0 H GLN A 44 -9.674 1.837 1.442 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.381 1.763 0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.522 2.315 2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.989 3.865 2.163 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.305 4.432 1.472 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.869 2.844 1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.649 2.668 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.278 3.829 5.379 1.00 0.00 H new ATOM 720 N ILE A 45 -10.502 4.299 -0.599 1.00 0.00 N ATOM 721 CA ILE A 45 -10.481 5.381 -1.647 1.00 0.00 C ATOM 722 C ILE A 45 -10.636 4.738 -3.032 1.00 0.00 C ATOM 723 O ILE A 45 -11.390 5.215 -3.859 1.00 0.00 O ATOM 724 CB ILE A 45 -9.114 6.092 -1.523 1.00 0.00 C ATOM 725 CG1 ILE A 45 -9.045 6.820 -0.177 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.926 7.111 -2.666 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.591 7.179 0.136 1.00 0.00 C ATOM 0 H ILE A 45 -9.647 4.204 -0.051 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.293 6.096 -1.513 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.322 5.346 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.655 7.723 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.452 6.187 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.958 7.601 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.969 6.594 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.718 7.859 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.542 7.697 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.994 6.268 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.200 7.828 -0.648 1.00 0.00 H new ATOM 739 N LEU A 46 -9.933 3.657 -3.291 1.00 0.00 N ATOM 740 CA LEU A 46 -10.061 2.999 -4.638 1.00 0.00 C ATOM 741 C LEU A 46 -11.437 2.329 -4.781 1.00 0.00 C ATOM 742 O LEU A 46 -11.995 2.297 -5.862 1.00 0.00 O ATOM 743 CB LEU A 46 -8.937 1.957 -4.726 1.00 0.00 C ATOM 744 CG LEU A 46 -7.586 2.670 -4.678 1.00 0.00 C ATOM 745 CD1 LEU A 46 -6.462 1.637 -4.596 1.00 0.00 C ATOM 746 CD2 LEU A 46 -7.414 3.515 -5.940 1.00 0.00 C ATOM 0 H LEU A 46 -9.287 3.207 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.977 3.730 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.017 1.248 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.027 1.385 -5.649 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.546 3.314 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.500 2.148 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.586 1.036 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.498 0.990 -5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.451 4.025 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.454 2.870 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.214 4.254 -5.995 1.00 0.00 H new ATOM 758 N LYS A 47 -12.012 1.823 -3.705 1.00 0.00 N ATOM 759 CA LYS A 47 -13.376 1.202 -3.822 1.00 0.00 C ATOM 760 C LYS A 47 -14.408 2.322 -4.001 1.00 0.00 C ATOM 761 O LYS A 47 -15.395 2.155 -4.693 1.00 0.00 O ATOM 762 CB LYS A 47 -13.644 0.434 -2.514 1.00 0.00 C ATOM 763 CG LYS A 47 -13.275 -1.038 -2.704 1.00 0.00 C ATOM 764 CD LYS A 47 -14.501 -1.806 -3.198 1.00 0.00 C ATOM 765 CE LYS A 47 -15.495 -1.975 -2.047 1.00 0.00 C ATOM 766 NZ LYS A 47 -15.154 -3.289 -1.435 1.00 0.00 N ATOM 0 H LYS A 47 -11.604 1.814 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.439 0.524 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.060 0.865 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.694 0.524 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.460 -1.131 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.921 -1.461 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.971 -1.270 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.202 -2.782 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.402 -1.166 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.523 -1.963 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.794 -3.477 -0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.258 -4.041 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.172 -3.269 -1.094 1.00 0.00 H new ATOM 780 N GLU A 48 -14.191 3.474 -3.382 1.00 0.00 N ATOM 781 CA GLU A 48 -15.172 4.605 -3.527 1.00 0.00 C ATOM 782 C GLU A 48 -15.472 4.879 -5.016 1.00 0.00 C ATOM 783 O GLU A 48 -14.573 4.845 -5.832 1.00 0.00 O ATOM 784 CB GLU A 48 -14.503 5.840 -2.903 1.00 0.00 C ATOM 785 CG GLU A 48 -14.879 5.931 -1.422 1.00 0.00 C ATOM 786 CD GLU A 48 -16.355 6.314 -1.292 1.00 0.00 C ATOM 787 OE1 GLU A 48 -16.683 7.445 -1.611 1.00 0.00 O ATOM 788 OE2 GLU A 48 -17.131 5.469 -0.876 1.00 0.00 O ATOM 0 H GLU A 48 -13.384 3.673 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.116 4.363 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.420 5.774 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.821 6.742 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.696 4.976 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.255 6.672 -0.922 1.00 0.00 H new ATOM 795 N PRO A 49 -16.724 5.147 -5.330 1.00 0.00 N ATOM 796 CA PRO A 49 -17.096 5.429 -6.740 1.00 0.00 C ATOM 797 C PRO A 49 -16.583 6.819 -7.154 1.00 0.00 C ATOM 798 O PRO A 49 -16.093 6.996 -8.254 1.00 0.00 O ATOM 799 CB PRO A 49 -18.621 5.393 -6.728 1.00 0.00 C ATOM 800 CG PRO A 49 -19.005 5.712 -5.319 1.00 0.00 C ATOM 801 CD PRO A 49 -17.891 5.216 -4.434 1.00 0.00 C ATOM 0 HA PRO A 49 -16.668 4.719 -7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.038 6.120 -7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -18.995 4.414 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.149 6.785 -5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -19.948 5.231 -5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.713 5.894 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.125 4.240 -4.008 1.00 0.00 H new ATOM 809 N LYS A 50 -16.682 7.803 -6.282 1.00 0.00 N ATOM 810 CA LYS A 50 -16.179 9.177 -6.647 1.00 0.00 C ATOM 811 C LYS A 50 -14.649 9.158 -6.818 1.00 0.00 C ATOM 812 O LYS A 50 -14.109 9.887 -7.629 1.00 0.00 O ATOM 813 CB LYS A 50 -16.572 10.115 -5.496 1.00 0.00 C ATOM 814 CG LYS A 50 -18.098 10.226 -5.425 1.00 0.00 C ATOM 815 CD LYS A 50 -18.594 11.173 -6.520 1.00 0.00 C ATOM 816 CE LYS A 50 -18.757 12.582 -5.942 1.00 0.00 C ATOM 817 NZ LYS A 50 -19.576 13.315 -6.947 1.00 0.00 N ATOM 0 H LYS A 50 -17.082 7.718 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.612 9.512 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.180 9.734 -4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.132 11.100 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.551 9.242 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.401 10.596 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.887 11.188 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.545 10.819 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.252 12.556 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.790 13.063 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.732 14.291 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.076 13.329 -7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.493 12.838 -7.062 1.00 0.00 H new ATOM 831 N MET A 51 -13.940 8.330 -6.070 1.00 0.00 N ATOM 832 CA MET A 51 -12.444 8.284 -6.222 1.00 0.00 C ATOM 833 C MET A 51 -12.040 7.207 -7.244 1.00 0.00 C ATOM 834 O MET A 51 -11.083 7.381 -7.975 1.00 0.00 O ATOM 835 CB MET A 51 -11.869 7.947 -4.834 1.00 0.00 C ATOM 836 CG MET A 51 -11.161 9.178 -4.246 1.00 0.00 C ATOM 837 SD MET A 51 -12.140 9.869 -2.887 1.00 0.00 S ATOM 838 CE MET A 51 -12.071 8.420 -1.806 1.00 0.00 C ATOM 0 H MET A 51 -14.328 7.695 -5.372 1.00 0.00 H new ATOM 0 HA MET A 51 -12.059 9.237 -6.585 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.669 7.625 -4.168 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.167 7.117 -4.914 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.170 8.900 -3.886 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.019 9.931 -5.022 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.990 8.356 -1.224 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.962 7.520 -2.411 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.220 8.510 -1.131 1.00 0.00 H new ATOM 848 N ALA A 52 -12.756 6.097 -7.313 1.00 0.00 N ATOM 849 CA ALA A 52 -12.380 5.026 -8.312 1.00 0.00 C ATOM 850 C ALA A 52 -12.326 5.628 -9.724 1.00 0.00 C ATOM 851 O ALA A 52 -11.429 5.337 -10.493 1.00 0.00 O ATOM 852 CB ALA A 52 -13.473 3.948 -8.241 1.00 0.00 C ATOM 0 H ALA A 52 -13.569 5.888 -6.733 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.401 4.604 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.244 3.150 -8.948 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.515 3.538 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.437 4.390 -8.493 1.00 0.00 H new ATOM 858 N ALA A 53 -13.272 6.480 -10.066 1.00 0.00 N ATOM 859 CA ALA A 53 -13.247 7.108 -11.435 1.00 0.00 C ATOM 860 C ALA A 53 -11.937 7.898 -11.648 1.00 0.00 C ATOM 861 O ALA A 53 -11.517 8.091 -12.773 1.00 0.00 O ATOM 862 CB ALA A 53 -14.451 8.060 -11.508 1.00 0.00 C ATOM 0 H ALA A 53 -14.048 6.764 -9.468 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.298 6.343 -12.210 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.476 8.541 -12.486 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.371 7.495 -11.358 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.361 8.820 -10.732 1.00 0.00 H new ATOM 868 N SER A 54 -11.287 8.361 -10.591 1.00 0.00 N ATOM 869 CA SER A 54 -10.013 9.135 -10.776 1.00 0.00 C ATOM 870 C SER A 54 -8.794 8.233 -10.542 1.00 0.00 C ATOM 871 O SER A 54 -7.875 8.219 -11.341 1.00 0.00 O ATOM 872 CB SER A 54 -10.047 10.255 -9.728 1.00 0.00 C ATOM 873 OG SER A 54 -11.057 11.194 -10.076 1.00 0.00 O ATOM 0 H SER A 54 -11.583 8.236 -9.623 1.00 0.00 H new ATOM 0 HA SER A 54 -9.933 9.529 -11.789 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.246 9.839 -8.740 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.077 10.749 -9.676 1.00 0.00 H new ATOM 0 HG SER A 54 -11.082 11.910 -9.407 1.00 0.00 H new ATOM 879 N LEU A 55 -8.769 7.482 -9.462 1.00 0.00 N ATOM 880 CA LEU A 55 -7.580 6.590 -9.212 1.00 0.00 C ATOM 881 C LEU A 55 -7.489 5.503 -10.296 1.00 0.00 C ATOM 882 O LEU A 55 -6.404 5.088 -10.660 1.00 0.00 O ATOM 883 CB LEU A 55 -7.785 5.953 -7.829 1.00 0.00 C ATOM 884 CG LEU A 55 -7.803 7.051 -6.760 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.821 6.696 -5.676 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.412 7.174 -6.130 1.00 0.00 C ATOM 0 H LEU A 55 -9.503 7.445 -8.755 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.651 7.160 -9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.721 5.395 -7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.985 5.242 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.080 7.999 -7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.832 7.478 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.812 6.609 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.546 5.747 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.425 7.955 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.135 6.225 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.685 7.430 -6.901 1.00 0.00 H new ATOM 898 N LEU A 56 -8.607 5.039 -10.825 1.00 0.00 N ATOM 899 CA LEU A 56 -8.543 3.985 -11.890 1.00 0.00 C ATOM 900 C LEU A 56 -8.812 4.582 -13.291 1.00 0.00 C ATOM 901 O LEU A 56 -9.117 3.853 -14.217 1.00 0.00 O ATOM 902 CB LEU A 56 -9.636 2.969 -11.515 1.00 0.00 C ATOM 903 CG LEU A 56 -9.643 1.802 -12.518 1.00 0.00 C ATOM 904 CD1 LEU A 56 -9.711 0.472 -11.763 1.00 0.00 C ATOM 905 CD2 LEU A 56 -10.864 1.921 -13.439 1.00 0.00 C ATOM 0 H LEU A 56 -9.546 5.342 -10.567 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.555 3.528 -11.941 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.461 2.591 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.610 3.458 -11.508 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.730 1.838 -13.113 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.716 -0.352 -12.477 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.844 0.380 -11.109 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.622 0.439 -11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.867 1.093 -14.148 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.775 1.890 -12.841 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.819 2.865 -13.983 1.00 0.00 H new ATOM 917 N ASN A 57 -8.686 5.886 -13.482 1.00 0.00 N ATOM 918 CA ASN A 57 -8.936 6.447 -14.850 1.00 0.00 C ATOM 919 C ASN A 57 -7.695 6.243 -15.731 1.00 0.00 C ATOM 920 O ASN A 57 -6.608 6.620 -15.342 1.00 0.00 O ATOM 921 CB ASN A 57 -9.216 7.950 -14.668 1.00 0.00 C ATOM 922 CG ASN A 57 -10.391 8.367 -15.563 1.00 0.00 C ATOM 923 OD1 ASN A 57 -10.488 7.929 -16.691 1.00 0.00 O ATOM 924 ND2 ASN A 57 -11.295 9.200 -15.108 1.00 0.00 N ATOM 0 H ASN A 57 -8.427 6.565 -12.766 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.777 5.950 -15.334 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.447 8.163 -13.624 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.328 8.529 -14.923 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.077 9.478 -15.701 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.217 9.570 -14.161 1.00 0.00 H new ATOM 931 N PRO A 58 -7.887 5.684 -16.914 1.00 0.00 N ATOM 932 CA PRO A 58 -6.745 5.489 -17.841 1.00 0.00 C ATOM 933 C PRO A 58 -6.412 6.788 -18.623 1.00 0.00 C ATOM 934 O PRO A 58 -5.579 6.770 -19.508 1.00 0.00 O ATOM 935 CB PRO A 58 -7.242 4.412 -18.798 1.00 0.00 C ATOM 936 CG PRO A 58 -8.737 4.516 -18.783 1.00 0.00 C ATOM 937 CD PRO A 58 -9.145 5.179 -17.490 1.00 0.00 C ATOM 0 HA PRO A 58 -5.830 5.217 -17.315 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.849 4.569 -19.802 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.915 3.423 -18.478 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.087 5.097 -19.636 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.189 3.527 -18.863 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.853 5.989 -17.667 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.632 4.471 -16.819 1.00 0.00 H new ATOM 945 N TYR A 59 -7.044 7.913 -18.314 1.00 0.00 N ATOM 946 CA TYR A 59 -6.742 9.179 -19.053 1.00 0.00 C ATOM 947 C TYR A 59 -5.668 10.001 -18.314 1.00 0.00 C ATOM 948 O TYR A 59 -4.901 10.710 -18.938 1.00 0.00 O ATOM 949 CB TYR A 59 -8.070 9.947 -19.089 1.00 0.00 C ATOM 950 CG TYR A 59 -9.012 9.274 -20.060 1.00 0.00 C ATOM 951 CD1 TYR A 59 -9.682 8.099 -19.689 1.00 0.00 C ATOM 952 CD2 TYR A 59 -9.212 9.821 -21.333 1.00 0.00 C ATOM 953 CE1 TYR A 59 -10.550 7.474 -20.592 1.00 0.00 C ATOM 954 CE2 TYR A 59 -10.081 9.196 -22.235 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.750 8.023 -21.865 1.00 0.00 C ATOM 956 OH TYR A 59 -11.606 7.406 -22.755 1.00 0.00 O ATOM 0 H TYR A 59 -7.751 7.998 -17.584 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.353 8.981 -20.052 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.514 9.974 -18.094 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.897 10.980 -19.390 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.528 7.677 -18.707 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.696 10.725 -21.619 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.065 6.569 -20.307 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.236 9.619 -23.217 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.632 7.916 -23.591 1.00 0.00 H new ATOM 966 N VAL A 60 -5.601 9.926 -16.992 1.00 0.00 N ATOM 967 CA VAL A 60 -4.559 10.733 -16.252 1.00 0.00 C ATOM 968 C VAL A 60 -3.147 10.433 -16.815 1.00 0.00 C ATOM 969 O VAL A 60 -2.673 11.155 -17.671 1.00 0.00 O ATOM 970 CB VAL A 60 -4.693 10.359 -14.756 1.00 0.00 C ATOM 971 CG1 VAL A 60 -3.579 11.025 -13.943 1.00 0.00 C ATOM 972 CG2 VAL A 60 -6.050 10.843 -14.238 1.00 0.00 C ATOM 0 H VAL A 60 -6.209 9.354 -16.406 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.709 11.805 -16.378 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.614 9.277 -14.650 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.684 10.754 -12.892 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.610 10.688 -14.310 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.650 12.108 -14.048 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.151 10.583 -13.184 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.118 11.925 -14.353 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.848 10.367 -14.808 1.00 0.00 H new ATOM 982 N LYS A 61 -2.467 9.384 -16.365 1.00 0.00 N ATOM 983 CA LYS A 61 -1.089 9.072 -16.910 1.00 0.00 C ATOM 984 C LYS A 61 -0.440 7.918 -16.120 1.00 0.00 C ATOM 985 O LYS A 61 -1.068 7.317 -15.267 1.00 0.00 O ATOM 986 CB LYS A 61 -0.248 10.353 -16.731 1.00 0.00 C ATOM 987 CG LYS A 61 0.035 10.981 -18.099 1.00 0.00 C ATOM 988 CD LYS A 61 0.139 12.501 -17.954 1.00 0.00 C ATOM 989 CE LYS A 61 -0.430 13.176 -19.205 1.00 0.00 C ATOM 990 NZ LYS A 61 0.428 14.374 -19.420 1.00 0.00 N ATOM 0 H LYS A 61 -2.805 8.738 -15.651 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.148 8.768 -17.955 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.780 11.063 -16.097 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.690 10.117 -16.228 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.962 10.580 -18.510 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.760 10.726 -18.799 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.407 12.830 -17.070 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.180 12.793 -17.812 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.396 12.507 -20.065 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.473 13.458 -19.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.100 14.890 -20.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.370 14.996 -18.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.414 14.074 -19.560 1.00 0.00 H new ATOM 1004 N ARG A 62 0.815 7.615 -16.386 1.00 0.00 N ATOM 1005 CA ARG A 62 1.496 6.514 -15.629 1.00 0.00 C ATOM 1006 C ARG A 62 2.400 7.112 -14.539 1.00 0.00 C ATOM 1007 O ARG A 62 2.365 6.685 -13.400 1.00 0.00 O ATOM 1008 CB ARG A 62 2.333 5.748 -16.661 1.00 0.00 C ATOM 1009 CG ARG A 62 2.526 4.305 -16.190 1.00 0.00 C ATOM 1010 CD ARG A 62 3.421 4.284 -14.947 1.00 0.00 C ATOM 1011 NE ARG A 62 4.321 3.114 -15.141 1.00 0.00 N ATOM 1012 CZ ARG A 62 5.326 3.193 -15.970 1.00 0.00 C ATOM 1013 NH1 ARG A 62 6.409 3.835 -15.624 1.00 0.00 N ATOM 1014 NH2 ARG A 62 5.250 2.631 -17.145 1.00 0.00 N ATOM 0 H ARG A 62 1.390 8.080 -17.089 1.00 0.00 H new ATOM 0 HA ARG A 62 0.780 5.857 -15.135 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.836 5.762 -17.631 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.301 6.232 -16.792 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.560 3.854 -15.962 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.976 3.710 -16.984 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.990 5.209 -14.855 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.830 4.181 -14.037 1.00 0.00 H new ATOM 0 HE ARG A 62 4.152 2.250 -14.626 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.470 4.275 -14.706 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.194 3.897 -16.272 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.405 2.129 -17.417 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.036 2.693 -17.792 1.00 0.00 H new ATOM 1028 N SER A 63 3.203 8.106 -14.871 1.00 0.00 N ATOM 1029 CA SER A 63 4.092 8.729 -13.832 1.00 0.00 C ATOM 1030 C SER A 63 3.411 9.968 -13.224 1.00 0.00 C ATOM 1031 O SER A 63 3.502 10.199 -12.033 1.00 0.00 O ATOM 1032 CB SER A 63 5.382 9.128 -14.558 1.00 0.00 C ATOM 1033 OG SER A 63 5.140 10.291 -15.340 1.00 0.00 O ATOM 0 H SER A 63 3.279 8.507 -15.806 1.00 0.00 H new ATOM 0 HA SER A 63 4.297 8.038 -13.014 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.175 9.320 -13.835 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.722 8.312 -15.195 1.00 0.00 H new ATOM 0 HG SER A 63 5.963 10.550 -15.804 1.00 0.00 H new ATOM 1039 N VAL A 64 2.724 10.764 -14.024 1.00 0.00 N ATOM 1040 CA VAL A 64 2.039 11.983 -13.452 1.00 0.00 C ATOM 1041 C VAL A 64 1.019 11.547 -12.386 1.00 0.00 C ATOM 1042 O VAL A 64 0.957 12.120 -11.315 1.00 0.00 O ATOM 1043 CB VAL A 64 1.328 12.689 -14.622 1.00 0.00 C ATOM 1044 CG1 VAL A 64 0.593 13.931 -14.112 1.00 0.00 C ATOM 1045 CG2 VAL A 64 2.366 13.113 -15.667 1.00 0.00 C ATOM 0 H VAL A 64 2.609 10.628 -15.028 1.00 0.00 H new ATOM 0 HA VAL A 64 2.754 12.656 -12.978 1.00 0.00 H new ATOM 0 HB VAL A 64 0.610 12.002 -15.070 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.093 14.425 -14.945 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.147 13.636 -13.368 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.309 14.617 -13.660 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.865 13.613 -16.496 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.083 13.796 -15.211 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.890 12.232 -16.038 1.00 0.00 H new ATOM 1055 N LYS A 65 0.223 10.529 -12.664 1.00 0.00 N ATOM 1056 CA LYS A 65 -0.785 10.065 -11.639 1.00 0.00 C ATOM 1057 C LYS A 65 -0.078 9.739 -10.310 1.00 0.00 C ATOM 1058 O LYS A 65 -0.606 10.006 -9.247 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.443 8.798 -12.208 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.757 8.528 -11.474 1.00 0.00 C ATOM 1061 CD LYS A 65 -2.512 7.544 -10.328 1.00 0.00 C ATOM 1062 CE LYS A 65 -3.747 7.493 -9.425 1.00 0.00 C ATOM 1063 NZ LYS A 65 -3.443 8.426 -8.305 1.00 0.00 N ATOM 0 H LYS A 65 0.226 10.007 -13.540 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.526 10.839 -11.442 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.629 8.921 -13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.772 7.946 -12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.166 9.460 -11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.494 8.120 -12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.298 6.552 -10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.639 7.851 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.643 7.801 -9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.927 6.482 -9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.298 8.966 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.129 7.882 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.690 9.082 -8.594 1.00 0.00 H new ATOM 1077 N VAL A 66 1.115 9.173 -10.358 1.00 0.00 N ATOM 1078 CA VAL A 66 1.837 8.852 -9.072 1.00 0.00 C ATOM 1079 C VAL A 66 2.102 10.151 -8.295 1.00 0.00 C ATOM 1080 O VAL A 66 1.945 10.196 -7.089 1.00 0.00 O ATOM 1081 CB VAL A 66 3.169 8.178 -9.455 1.00 0.00 C ATOM 1082 CG1 VAL A 66 3.946 7.814 -8.186 1.00 0.00 C ATOM 1083 CG2 VAL A 66 2.889 6.905 -10.264 1.00 0.00 C ATOM 0 H VAL A 66 1.612 8.924 -11.213 1.00 0.00 H new ATOM 0 HA VAL A 66 1.243 8.192 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 66 3.760 8.868 -10.057 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.887 7.338 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.150 8.718 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.354 7.127 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.832 6.430 -10.534 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.295 6.216 -9.664 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.341 7.163 -11.170 1.00 0.00 H new ATOM 1093 N LYS A 67 2.494 11.213 -8.974 1.00 0.00 N ATOM 1094 CA LYS A 67 2.757 12.510 -8.246 1.00 0.00 C ATOM 1095 C LYS A 67 1.496 12.946 -7.478 1.00 0.00 C ATOM 1096 O LYS A 67 1.587 13.453 -6.376 1.00 0.00 O ATOM 1097 CB LYS A 67 3.114 13.559 -9.313 1.00 0.00 C ATOM 1098 CG LYS A 67 4.084 14.583 -8.720 1.00 0.00 C ATOM 1099 CD LYS A 67 3.305 15.801 -8.224 1.00 0.00 C ATOM 1100 CE LYS A 67 3.218 16.844 -9.342 1.00 0.00 C ATOM 1101 NZ LYS A 67 4.355 17.771 -9.090 1.00 0.00 N ATOM 0 H LYS A 67 2.641 11.240 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 67 3.567 12.397 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.566 13.074 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.211 14.059 -9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.642 14.136 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.813 14.886 -9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.304 15.503 -7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.797 16.229 -7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.298 16.378 -10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.265 17.372 -9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.363 18.516 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.248 18.204 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.249 17.242 -9.127 1.00 0.00 H new ATOM 1115 N SER A 68 0.319 12.746 -8.044 1.00 0.00 N ATOM 1116 CA SER A 68 -0.938 13.152 -7.315 1.00 0.00 C ATOM 1117 C SER A 68 -1.016 12.441 -5.953 1.00 0.00 C ATOM 1118 O SER A 68 -1.463 13.019 -4.979 1.00 0.00 O ATOM 1119 CB SER A 68 -2.121 12.724 -8.198 1.00 0.00 C ATOM 1120 OG SER A 68 -3.225 13.586 -7.955 1.00 0.00 O ATOM 0 H SER A 68 0.175 12.327 -8.963 1.00 0.00 H new ATOM 0 HA SER A 68 -0.952 14.226 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.838 12.765 -9.250 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.396 11.692 -7.982 1.00 0.00 H new ATOM 0 HG SER A 68 -3.981 13.317 -8.518 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.582 11.195 -5.866 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.640 10.476 -4.542 1.00 0.00 C ATOM 1128 C LEU A 69 0.184 11.245 -3.498 1.00 0.00 C ATOM 1129 O LEU A 69 -0.263 11.456 -2.387 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.040 9.078 -4.763 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.146 8.104 -5.181 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -0.530 6.744 -5.511 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -2.146 7.943 -4.032 1.00 0.00 C ATOM 0 H LEU A 69 -0.197 10.654 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.665 10.404 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.731 9.120 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.440 8.729 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.660 8.494 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.317 6.051 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.183 6.856 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.016 6.354 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.933 7.250 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.631 7.553 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.586 8.911 -3.794 1.00 0.00 H new ATOM 1145 N SER A 70 1.382 11.675 -3.847 1.00 0.00 N ATOM 1146 CA SER A 70 2.215 12.445 -2.851 1.00 0.00 C ATOM 1147 C SER A 70 1.464 13.715 -2.425 1.00 0.00 C ATOM 1148 O SER A 70 1.443 14.062 -1.258 1.00 0.00 O ATOM 1149 CB SER A 70 3.528 12.817 -3.558 1.00 0.00 C ATOM 1150 OG SER A 70 4.576 12.876 -2.600 1.00 0.00 O ATOM 0 H SER A 70 1.813 11.530 -4.760 1.00 0.00 H new ATOM 0 HA SER A 70 2.413 11.852 -1.958 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.763 12.080 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.424 13.779 -4.060 1.00 0.00 H new ATOM 0 HG SER A 70 5.415 13.111 -3.048 1.00 0.00 H new ATOM 1156 N ASP A 71 0.829 14.403 -3.355 1.00 0.00 N ATOM 1157 CA ASP A 71 0.062 15.643 -2.970 1.00 0.00 C ATOM 1158 C ASP A 71 -1.199 15.271 -2.164 1.00 0.00 C ATOM 1159 O ASP A 71 -1.688 16.073 -1.389 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.328 16.350 -4.277 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.471 17.852 -4.022 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -1.245 18.213 -3.151 1.00 0.00 O ATOM 1163 OD2 ASP A 71 0.196 18.615 -4.701 1.00 0.00 O ATOM 0 H ASP A 71 0.808 14.166 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 71 0.669 16.294 -2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.429 16.170 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.266 15.944 -4.657 1.00 0.00 H new ATOM 1168 N MET A 72 -1.712 14.059 -2.299 1.00 0.00 N ATOM 1169 CA MET A 72 -2.911 13.667 -1.487 1.00 0.00 C ATOM 1170 C MET A 72 -2.395 13.134 -0.150 1.00 0.00 C ATOM 1171 O MET A 72 -2.888 13.489 0.903 1.00 0.00 O ATOM 1172 CB MET A 72 -3.642 12.567 -2.272 1.00 0.00 C ATOM 1173 CG MET A 72 -5.055 12.394 -1.711 1.00 0.00 C ATOM 1174 SD MET A 72 -5.791 10.885 -2.385 1.00 0.00 S ATOM 1175 CE MET A 72 -4.660 9.711 -1.599 1.00 0.00 C ATOM 0 H MET A 72 -1.355 13.339 -2.927 1.00 0.00 H new ATOM 0 HA MET A 72 -3.594 14.497 -1.303 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.688 12.829 -3.329 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.093 11.628 -2.200 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.022 12.340 -0.623 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.668 13.257 -1.969 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.146 8.739 -1.514 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.758 9.614 -2.203 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.394 10.072 -0.605 1.00 0.00 H new ATOM 1185 N THR A 73 -1.363 12.309 -0.187 1.00 0.00 N ATOM 1186 CA THR A 73 -0.767 11.784 1.087 1.00 0.00 C ATOM 1187 C THR A 73 -0.385 12.983 1.994 1.00 0.00 C ATOM 1188 O THR A 73 -0.558 12.929 3.197 1.00 0.00 O ATOM 1189 CB THR A 73 0.473 10.961 0.643 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.054 9.660 0.260 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.502 10.843 1.764 1.00 0.00 C ATOM 0 H THR A 73 -0.913 11.981 -1.042 1.00 0.00 H new ATOM 0 HA THR A 73 -1.449 11.160 1.665 1.00 0.00 H new ATOM 0 HB THR A 73 0.941 11.479 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.832 9.136 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.355 10.261 1.415 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.837 11.838 2.056 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.050 10.346 2.622 1.00 0.00 H new ATOM 1199 N ALA A 74 0.117 14.068 1.423 1.00 0.00 N ATOM 1200 CA ALA A 74 0.477 15.254 2.280 1.00 0.00 C ATOM 1201 C ALA A 74 -0.794 15.802 2.950 1.00 0.00 C ATOM 1202 O ALA A 74 -0.781 16.153 4.116 1.00 0.00 O ATOM 1203 CB ALA A 74 1.085 16.314 1.347 1.00 0.00 C ATOM 0 H ALA A 74 0.289 14.180 0.424 1.00 0.00 H new ATOM 0 HA ALA A 74 1.185 14.980 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.361 17.194 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.972 15.906 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.353 16.594 0.589 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.899 15.863 2.230 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.171 16.374 2.854 1.00 0.00 C ATOM 1211 C LYS A 75 -3.808 15.272 3.722 1.00 0.00 C ATOM 1212 O LYS A 75 -4.378 15.555 4.759 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.109 16.751 1.698 1.00 0.00 C ATOM 1214 CG LYS A 75 -3.488 17.892 0.889 1.00 0.00 C ATOM 1215 CD LYS A 75 -4.596 18.690 0.198 1.00 0.00 C ATOM 1216 CE LYS A 75 -5.350 19.523 1.237 1.00 0.00 C ATOM 1217 NZ LYS A 75 -6.764 19.533 0.768 1.00 0.00 N ATOM 0 H LYS A 75 -1.974 15.585 1.251 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.980 17.234 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.279 15.886 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.081 17.054 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.910 18.544 1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.797 17.492 0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.168 19.341 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.284 18.013 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.267 19.084 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.948 20.534 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.345 20.086 1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.813 19.963 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.122 18.558 0.724 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.706 14.016 3.319 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.307 12.913 4.156 1.00 0.00 C ATOM 1233 C GLU A 76 -3.498 12.676 5.451 1.00 0.00 C ATOM 1234 O GLU A 76 -3.953 11.972 6.332 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.290 11.645 3.288 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.524 10.797 3.596 1.00 0.00 C ATOM 1237 CD GLU A 76 -5.319 10.056 4.918 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -4.566 9.095 4.925 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.917 10.460 5.902 1.00 0.00 O ATOM 0 H GLU A 76 -3.242 13.712 2.463 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.318 13.182 4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.276 11.915 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.384 11.071 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.408 11.432 3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.698 10.084 2.791 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.304 13.242 5.591 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.500 13.022 6.835 1.00 0.00 C ATOM 1248 C LYS A 77 -1.215 11.526 7.021 1.00 0.00 C ATOM 1249 O LYS A 77 -1.355 10.997 8.107 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.349 13.561 7.995 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.438 14.232 9.025 1.00 0.00 C ATOM 1252 CD LYS A 77 -2.262 14.637 10.248 1.00 0.00 C ATOM 1253 CE LYS A 77 -1.534 15.747 11.011 1.00 0.00 C ATOM 1254 NZ LYS A 77 -1.850 15.500 12.445 1.00 0.00 N ATOM 0 H LYS A 77 -1.863 13.842 4.894 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.537 13.530 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.082 14.276 7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.906 12.748 8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.641 13.550 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.961 15.109 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.248 14.982 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.416 13.775 10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.460 15.710 10.832 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.876 16.733 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.385 16.222 13.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.879 15.548 12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.506 14.557 12.719 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.808 10.836 5.970 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.510 9.361 6.114 1.00 0.00 C ATOM 1270 C PHE A 78 0.555 9.145 7.200 1.00 0.00 C ATOM 1271 O PHE A 78 0.939 10.074 7.887 1.00 0.00 O ATOM 1272 CB PHE A 78 0.004 8.863 4.746 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.130 8.203 3.988 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.907 7.210 4.604 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.408 8.588 2.670 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.957 6.608 3.904 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.459 7.984 1.971 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.235 6.995 2.588 1.00 0.00 C ATOM 0 H PHE A 78 -0.671 11.220 5.035 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.402 8.809 6.409 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.403 9.698 4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.821 8.155 4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.694 6.911 5.620 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.811 9.351 2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.554 5.844 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.672 8.281 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.048 6.531 2.049 1.00 0.00 H new ATOM 1288 N SER A 79 1.035 7.932 7.368 1.00 0.00 N ATOM 1289 CA SER A 79 2.062 7.678 8.411 1.00 0.00 C ATOM 1290 C SER A 79 3.402 7.382 7.732 1.00 0.00 C ATOM 1291 O SER A 79 3.519 7.564 6.534 1.00 0.00 O ATOM 1292 CB SER A 79 1.532 6.472 9.191 1.00 0.00 C ATOM 1293 OG SER A 79 2.078 5.279 8.642 1.00 0.00 O ATOM 0 H SER A 79 0.755 7.115 6.825 1.00 0.00 H new ATOM 0 HA SER A 79 2.232 8.525 9.076 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.802 6.558 10.244 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.443 6.443 9.143 1.00 0.00 H new ATOM 0 HG SER A 79 1.437 4.546 8.751 1.00 0.00 H new ATOM 1299 N PRO A 80 4.385 6.942 8.492 1.00 0.00 N ATOM 1300 CA PRO A 80 5.700 6.649 7.883 1.00 0.00 C ATOM 1301 C PRO A 80 5.700 5.334 7.081 1.00 0.00 C ATOM 1302 O PRO A 80 6.685 5.023 6.433 1.00 0.00 O ATOM 1303 CB PRO A 80 6.640 6.570 9.073 1.00 0.00 C ATOM 1304 CG PRO A 80 5.784 6.210 10.242 1.00 0.00 C ATOM 1305 CD PRO A 80 4.385 6.681 9.944 1.00 0.00 C ATOM 0 HA PRO A 80 5.991 7.409 7.158 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.415 5.821 8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.145 7.522 9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.798 5.133 10.410 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.160 6.679 11.151 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.646 5.925 10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.140 7.580 10.509 1.00 0.00 H new ATOM 1313 N LEU A 81 4.625 4.562 7.081 1.00 0.00 N ATOM 1314 CA LEU A 81 4.624 3.309 6.281 1.00 0.00 C ATOM 1315 C LEU A 81 3.533 3.353 5.197 1.00 0.00 C ATOM 1316 O LEU A 81 3.234 2.338 4.594 1.00 0.00 O ATOM 1317 CB LEU A 81 4.334 2.200 7.289 1.00 0.00 C ATOM 1318 CG LEU A 81 5.655 1.724 7.907 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.457 1.449 9.397 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.118 0.440 7.211 1.00 0.00 C ATOM 0 H LEU A 81 3.766 4.753 7.597 1.00 0.00 H new ATOM 0 HA LEU A 81 5.570 3.156 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.665 2.566 8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.828 1.369 6.798 1.00 0.00 H new ATOM 0 HG LEU A 81 6.410 2.500 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.397 1.111 9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.134 2.363 9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.699 0.677 9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.057 0.105 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.361 -0.335 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.266 0.635 6.149 1.00 0.00 H new ATOM 1332 N THR A 82 2.926 4.503 4.937 1.00 0.00 N ATOM 1333 CA THR A 82 1.868 4.551 3.896 1.00 0.00 C ATOM 1334 C THR A 82 2.215 5.494 2.721 1.00 0.00 C ATOM 1335 O THR A 82 1.447 5.589 1.781 1.00 0.00 O ATOM 1336 CB THR A 82 0.613 5.019 4.631 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.538 4.359 5.889 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.601 4.643 3.785 1.00 0.00 C ATOM 0 H THR A 82 3.125 5.389 5.401 1.00 0.00 H new ATOM 0 HA THR A 82 1.740 3.574 3.430 1.00 0.00 H new ATOM 0 HB THR A 82 0.641 6.097 4.791 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.526 3.389 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.511 4.967 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.532 5.131 2.813 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.628 3.562 3.648 1.00 0.00 H new ATOM 1346 N SER A 83 3.361 6.162 2.721 1.00 0.00 N ATOM 1347 CA SER A 83 3.702 7.033 1.553 1.00 0.00 C ATOM 1348 C SER A 83 4.853 6.384 0.760 1.00 0.00 C ATOM 1349 O SER A 83 5.713 7.054 0.222 1.00 0.00 O ATOM 1350 CB SER A 83 4.119 8.381 2.141 1.00 0.00 C ATOM 1351 OG SER A 83 5.460 8.296 2.605 1.00 0.00 O ATOM 0 H SER A 83 4.055 6.137 3.468 1.00 0.00 H new ATOM 0 HA SER A 83 2.866 7.161 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.032 9.163 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.455 8.654 2.961 1.00 0.00 H new ATOM 0 HG SER A 83 6.067 8.217 1.839 1.00 0.00 H new ATOM 1357 N ASN A 84 4.841 5.075 0.666 1.00 0.00 N ATOM 1358 CA ASN A 84 5.884 4.333 -0.108 1.00 0.00 C ATOM 1359 C ASN A 84 5.139 3.224 -0.849 1.00 0.00 C ATOM 1360 O ASN A 84 5.046 3.230 -2.062 1.00 0.00 O ATOM 1361 CB ASN A 84 6.845 3.759 0.934 1.00 0.00 C ATOM 1362 CG ASN A 84 8.062 4.683 1.073 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.424 5.366 0.135 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.716 4.738 2.208 1.00 0.00 N ATOM 0 H ASN A 84 4.137 4.479 1.103 1.00 0.00 H new ATOM 0 HA ASN A 84 6.441 4.939 -0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.339 3.659 1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.165 2.760 0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.525 5.352 2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.416 4.167 2.998 1.00 0.00 H new ATOM 1371 N LEU A 85 4.518 2.320 -0.108 1.00 0.00 N ATOM 1372 CA LEU A 85 3.674 1.276 -0.770 1.00 0.00 C ATOM 1373 C LEU A 85 2.574 2.001 -1.591 1.00 0.00 C ATOM 1374 O LEU A 85 2.105 1.481 -2.585 1.00 0.00 O ATOM 1375 CB LEU A 85 3.059 0.423 0.373 1.00 0.00 C ATOM 1376 CG LEU A 85 1.914 -0.462 -0.147 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.427 -1.377 -1.263 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.374 -1.320 1.001 1.00 0.00 C ATOM 0 H LEU A 85 4.562 2.266 0.910 1.00 0.00 H new ATOM 0 HA LEU A 85 4.238 0.634 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.832 -0.203 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.686 1.079 1.160 1.00 0.00 H new ATOM 0 HG LEU A 85 1.120 0.174 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.610 -2.001 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.812 -0.770 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.224 -2.012 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.562 -1.948 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.173 -1.950 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.002 -0.673 1.795 1.00 0.00 H new ATOM 1390 N ILE A 86 2.170 3.212 -1.193 1.00 0.00 N ATOM 1391 CA ILE A 86 1.121 3.935 -1.991 1.00 0.00 C ATOM 1392 C ILE A 86 1.628 4.174 -3.425 1.00 0.00 C ATOM 1393 O ILE A 86 0.870 4.073 -4.372 1.00 0.00 O ATOM 1394 CB ILE A 86 0.837 5.273 -1.264 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.357 5.973 -1.928 1.00 0.00 C ATOM 1396 CG2 ILE A 86 2.065 6.194 -1.323 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.291 6.526 -0.852 1.00 0.00 C ATOM 0 H ILE A 86 2.518 3.708 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 86 0.204 3.350 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 86 0.609 5.060 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.007 6.781 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.895 5.271 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.844 7.128 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.911 5.704 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.312 6.404 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.138 7.023 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.652 5.708 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.750 7.242 -0.234 1.00 0.00 H new ATOM 1409 N ASN A 87 2.904 4.475 -3.599 1.00 0.00 N ATOM 1410 CA ASN A 87 3.424 4.696 -4.993 1.00 0.00 C ATOM 1411 C ASN A 87 3.405 3.360 -5.749 1.00 0.00 C ATOM 1412 O ASN A 87 2.994 3.297 -6.890 1.00 0.00 O ATOM 1413 CB ASN A 87 4.865 5.214 -4.859 1.00 0.00 C ATOM 1414 CG ASN A 87 4.847 6.741 -4.711 1.00 0.00 C ATOM 1415 OD1 ASN A 87 3.875 7.301 -4.244 1.00 0.00 O ATOM 1416 ND2 ASN A 87 5.884 7.447 -5.090 1.00 0.00 N ATOM 0 H ASN A 87 3.591 4.575 -2.852 1.00 0.00 H new ATOM 0 HA ASN A 87 2.814 5.413 -5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.347 4.760 -3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.448 4.930 -5.735 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.873 8.462 -4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.702 6.981 -5.483 1.00 0.00 H new ATOM 1423 N LEU A 88 3.832 2.284 -5.111 1.00 0.00 N ATOM 1424 CA LEU A 88 3.821 0.942 -5.802 1.00 0.00 C ATOM 1425 C LEU A 88 2.400 0.619 -6.284 1.00 0.00 C ATOM 1426 O LEU A 88 2.213 0.128 -7.382 1.00 0.00 O ATOM 1427 CB LEU A 88 4.256 -0.098 -4.756 1.00 0.00 C ATOM 1428 CG LEU A 88 5.777 -0.244 -4.773 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.239 -0.880 -3.460 1.00 0.00 C ATOM 1430 CD2 LEU A 88 6.188 -1.139 -5.944 1.00 0.00 C ATOM 0 H LEU A 88 4.183 2.276 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 88 4.487 0.940 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.922 0.208 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.787 -1.059 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 88 6.238 0.737 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.324 -0.986 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.943 -0.246 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.780 -1.862 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.273 -1.245 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.729 -2.121 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.855 -0.690 -6.880 1.00 0.00 H new ATOM 1442 N LEU A 89 1.395 0.897 -5.476 1.00 0.00 N ATOM 1443 CA LEU A 89 -0.013 0.601 -5.918 1.00 0.00 C ATOM 1444 C LEU A 89 -0.334 1.398 -7.187 1.00 0.00 C ATOM 1445 O LEU A 89 -0.967 0.891 -8.095 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.940 1.030 -4.771 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.830 0.018 -3.632 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.498 0.589 -2.377 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.526 -1.284 -4.041 1.00 0.00 C ATOM 0 H LEU A 89 1.486 1.308 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.143 -0.457 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.666 2.024 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.970 1.089 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 89 0.220 -0.184 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.420 -0.132 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.001 1.515 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.549 0.791 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.449 -2.008 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.577 -1.084 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.048 -1.687 -4.934 1.00 0.00 H new ATOM 1461 N ALA A 90 0.111 2.635 -7.271 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.162 3.438 -8.502 1.00 0.00 C ATOM 1463 C ALA A 90 1.100 3.525 -9.383 1.00 0.00 C ATOM 1464 O ALA A 90 1.250 4.462 -10.144 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.566 4.829 -8.002 1.00 0.00 C ATOM 0 H ALA A 90 0.645 3.115 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.943 2.986 -9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.782 5.474 -8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.454 4.747 -7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.250 5.258 -7.420 1.00 0.00 H new ATOM 1471 N GLU A 91 2.004 2.559 -9.308 1.00 0.00 N ATOM 1472 CA GLU A 91 3.231 2.625 -10.172 1.00 0.00 C ATOM 1473 C GLU A 91 3.056 1.711 -11.392 1.00 0.00 C ATOM 1474 O GLU A 91 3.185 2.150 -12.520 1.00 0.00 O ATOM 1475 CB GLU A 91 4.396 2.133 -9.297 1.00 0.00 C ATOM 1476 CG GLU A 91 5.504 3.190 -9.267 1.00 0.00 C ATOM 1477 CD GLU A 91 6.509 2.846 -8.167 1.00 0.00 C ATOM 1478 OE1 GLU A 91 6.168 3.009 -7.007 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.604 2.426 -8.503 1.00 0.00 O ATOM 0 H GLU A 91 1.942 1.745 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 91 3.413 3.635 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.044 1.933 -8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.787 1.194 -9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.007 3.232 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.076 4.176 -9.087 1.00 0.00 H new ATOM 1486 N ASN A 92 2.760 0.447 -11.178 1.00 0.00 N ATOM 1487 CA ASN A 92 2.575 -0.479 -12.343 1.00 0.00 C ATOM 1488 C ASN A 92 1.085 -0.595 -12.715 1.00 0.00 C ATOM 1489 O ASN A 92 0.748 -0.743 -13.875 1.00 0.00 O ATOM 1490 CB ASN A 92 3.123 -1.840 -11.894 1.00 0.00 C ATOM 1491 CG ASN A 92 4.629 -1.905 -12.178 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.035 -2.027 -13.317 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.485 -1.830 -11.188 1.00 0.00 N ATOM 0 H ASN A 92 2.640 0.022 -10.259 1.00 0.00 H new ATOM 0 HA ASN A 92 3.095 -0.111 -13.227 1.00 0.00 H new ATOM 0 HB2 ASN A 92 2.936 -1.986 -10.830 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.608 -2.643 -12.421 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.487 -1.874 -11.375 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.149 -1.728 -10.230 1.00 0.00 H new ATOM 1500 N GLY A 93 0.189 -0.536 -11.749 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.264 -0.650 -12.065 1.00 0.00 C ATOM 1502 C GLY A 93 -1.907 -1.645 -11.092 1.00 0.00 C ATOM 1503 O GLY A 93 -2.416 -2.672 -11.499 1.00 0.00 O ATOM 0 H GLY A 93 0.408 -0.414 -10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.746 0.324 -11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.401 -0.986 -13.093 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.883 -1.357 -9.805 1.00 0.00 N ATOM 1508 CA ARG A 94 -2.487 -2.301 -8.818 1.00 0.00 C ATOM 1509 C ARG A 94 -3.684 -1.654 -8.107 1.00 0.00 C ATOM 1510 O ARG A 94 -3.910 -1.899 -6.935 1.00 0.00 O ATOM 1511 CB ARG A 94 -1.368 -2.599 -7.819 1.00 0.00 C ATOM 1512 CG ARG A 94 -0.240 -3.353 -8.525 1.00 0.00 C ATOM 1513 CD ARG A 94 -0.630 -4.826 -8.680 1.00 0.00 C ATOM 1514 NE ARG A 94 0.342 -5.378 -9.664 1.00 0.00 N ATOM 1515 CZ ARG A 94 -0.088 -5.932 -10.765 1.00 0.00 C ATOM 1516 NH1 ARG A 94 -0.898 -6.954 -10.708 1.00 0.00 N ATOM 1517 NH2 ARG A 94 0.292 -5.464 -11.922 1.00 0.00 N ATOM 0 H ARG A 94 -1.473 -0.513 -9.405 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.862 -3.205 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.988 -1.670 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.754 -3.193 -6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.049 -2.911 -9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.683 -3.268 -7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.570 -5.353 -7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.655 -4.928 -9.037 1.00 0.00 H new ATOM 0 HE ARG A 94 1.343 -5.323 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.195 -7.320 -9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.234 -7.387 -11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.925 -4.665 -11.966 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.044 -5.897 -12.782 1.00 0.00 H new ATOM 1531 N LEU A 95 -4.473 -0.852 -8.799 1.00 0.00 N ATOM 1532 CA LEU A 95 -5.667 -0.232 -8.134 1.00 0.00 C ATOM 1533 C LEU A 95 -6.956 -0.952 -8.581 1.00 0.00 C ATOM 1534 O LEU A 95 -8.023 -0.368 -8.603 1.00 0.00 O ATOM 1535 CB LEU A 95 -5.678 1.242 -8.566 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.333 1.902 -8.231 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -4.274 3.292 -8.867 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.180 2.034 -6.712 1.00 0.00 C ATOM 0 H LEU A 95 -4.342 -0.605 -9.780 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.617 -0.317 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.870 1.313 -9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.487 1.771 -8.061 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.525 1.283 -8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.319 3.761 -8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.375 3.202 -9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.086 3.905 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.223 2.503 -6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.989 2.648 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.218 1.045 -6.255 1.00 0.00 H new ATOM 1550 N THR A 96 -6.871 -2.230 -8.898 1.00 0.00 N ATOM 1551 CA THR A 96 -8.082 -3.006 -9.296 1.00 0.00 C ATOM 1552 C THR A 96 -8.360 -4.011 -8.174 1.00 0.00 C ATOM 1553 O THR A 96 -9.428 -4.022 -7.592 1.00 0.00 O ATOM 1554 CB THR A 96 -7.711 -3.724 -10.597 1.00 0.00 C ATOM 1555 OG1 THR A 96 -6.623 -4.606 -10.355 1.00 0.00 O ATOM 1556 CG2 THR A 96 -7.312 -2.698 -11.657 1.00 0.00 C ATOM 0 H THR A 96 -6.003 -2.766 -8.895 1.00 0.00 H new ATOM 0 HA THR A 96 -8.969 -2.391 -9.448 1.00 0.00 H new ATOM 0 HB THR A 96 -8.570 -4.293 -10.954 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.966 -5.504 -10.164 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.049 -3.213 -12.581 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.148 -2.023 -11.843 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.455 -2.125 -11.304 1.00 0.00 H new ATOM 1564 N ASN A 97 -7.375 -4.821 -7.825 1.00 0.00 N ATOM 1565 CA ASN A 97 -7.554 -5.777 -6.697 1.00 0.00 C ATOM 1566 C ASN A 97 -6.837 -5.223 -5.447 1.00 0.00 C ATOM 1567 O ASN A 97 -6.293 -5.976 -4.662 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.904 -7.089 -7.154 1.00 0.00 C ATOM 1569 CG ASN A 97 -7.628 -7.614 -8.400 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -7.059 -7.514 -9.577 1.00 0.00 O flip ATOM 1571 ND2 ASN A 97 -8.727 -8.125 -8.303 1.00 0.00 N flip ATOM 0 H ASN A 97 -6.462 -4.853 -8.278 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.603 -5.928 -6.442 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.849 -6.926 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.952 -7.828 -6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.173 -8.205 -7.389 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.203 -8.474 -9.135 1.00 0.00 H new ATOM 1578 N THR A 98 -6.831 -3.905 -5.250 1.00 0.00 N ATOM 1579 CA THR A 98 -6.144 -3.337 -4.042 1.00 0.00 C ATOM 1580 C THR A 98 -6.672 -3.944 -2.722 1.00 0.00 C ATOM 1581 O THR A 98 -5.874 -4.163 -1.830 1.00 0.00 O ATOM 1582 CB THR A 98 -6.320 -1.801 -4.071 1.00 0.00 C ATOM 1583 OG1 THR A 98 -5.573 -1.227 -3.007 1.00 0.00 O ATOM 1584 CG2 THR A 98 -7.788 -1.418 -3.915 1.00 0.00 C ATOM 0 H THR A 98 -7.266 -3.220 -5.867 1.00 0.00 H new ATOM 0 HA THR A 98 -5.086 -3.595 -4.077 1.00 0.00 H new ATOM 0 HB THR A 98 -5.963 -1.428 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.017 -0.498 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.885 -0.333 -3.939 1.00 0.00 H new ATOM 0 HG22 THR A 98 -8.366 -1.852 -4.731 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.163 -1.795 -2.964 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.967 -4.238 -2.596 1.00 0.00 N ATOM 1593 CA PRO A 99 -8.450 -4.852 -1.323 1.00 0.00 C ATOM 1594 C PRO A 99 -7.735 -6.193 -1.080 1.00 0.00 C ATOM 1595 O PRO A 99 -7.397 -6.519 0.042 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.952 -5.034 -1.550 1.00 0.00 C ATOM 1597 CG PRO A 99 -10.095 -5.065 -3.031 1.00 0.00 C ATOM 1598 CD PRO A 99 -9.094 -4.065 -3.542 1.00 0.00 C ATOM 0 HA PRO A 99 -8.247 -4.245 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.315 -5.956 -1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.523 -4.216 -1.112 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.894 -6.061 -3.426 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.108 -4.800 -3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.798 -4.274 -4.570 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.488 -3.049 -3.524 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.468 -6.961 -2.122 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.734 -8.263 -1.918 1.00 0.00 C ATOM 1608 C ALA A 100 -5.344 -7.982 -1.312 1.00 0.00 C ATOM 1609 O ALA A 100 -4.854 -8.750 -0.507 1.00 0.00 O ATOM 1610 CB ALA A 100 -6.586 -8.913 -3.303 1.00 0.00 C ATOM 0 H ALA A 100 -7.721 -6.748 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.274 -8.921 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.059 -9.862 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.573 -9.089 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.021 -8.250 -3.958 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.706 -6.881 -1.683 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.349 -6.573 -1.098 1.00 0.00 C ATOM 1618 C VAL A 101 -3.486 -6.318 0.415 1.00 0.00 C ATOM 1619 O VAL A 101 -2.641 -6.724 1.191 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.829 -5.303 -1.805 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.449 -4.927 -1.252 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.707 -5.556 -3.310 1.00 0.00 C ATOM 0 H VAL A 101 -5.060 -6.197 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.659 -7.404 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.532 -4.490 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.088 -4.030 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.525 -4.737 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.752 -5.746 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.340 -4.655 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.010 -6.375 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.684 -5.818 -3.715 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.540 -5.648 0.842 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.708 -5.379 2.315 1.00 0.00 C ATOM 1634 C ILE A 102 -5.188 -6.650 3.044 1.00 0.00 C ATOM 1635 O ILE A 102 -4.825 -6.877 4.184 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.758 -4.261 2.444 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.278 -3.020 1.681 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -5.952 -3.901 3.919 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.483 -2.301 1.071 1.00 0.00 C ATOM 0 H ILE A 102 -5.280 -5.281 0.244 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.761 -5.082 2.767 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.704 -4.607 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.743 -2.350 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.578 -3.310 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.696 -3.109 4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.292 -4.780 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.006 -3.557 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.144 -1.419 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.999 -2.973 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.166 -1.998 1.865 1.00 0.00 H new ATOM 1651 N SER A 103 -5.996 -7.485 2.409 1.00 0.00 N ATOM 1652 CA SER A 103 -6.475 -8.737 3.108 1.00 0.00 C ATOM 1653 C SER A 103 -5.267 -9.570 3.558 1.00 0.00 C ATOM 1654 O SER A 103 -5.211 -10.025 4.686 1.00 0.00 O ATOM 1655 CB SER A 103 -7.315 -9.525 2.092 1.00 0.00 C ATOM 1656 OG SER A 103 -7.701 -10.768 2.664 1.00 0.00 O ATOM 0 H SER A 103 -6.338 -7.358 1.457 1.00 0.00 H new ATOM 0 HA SER A 103 -7.067 -8.495 3.991 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.198 -8.951 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.741 -9.694 1.181 1.00 0.00 H new ATOM 0 HG SER A 103 -8.239 -11.272 2.018 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.286 -9.755 2.696 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.068 -10.545 3.112 1.00 0.00 C ATOM 1664 C ALA A 104 -2.423 -9.888 4.351 1.00 0.00 C ATOM 1665 O ALA A 104 -1.889 -10.566 5.206 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.090 -10.513 1.928 1.00 0.00 C ATOM 0 H ALA A 104 -4.273 -9.401 1.739 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.330 -11.571 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.191 -11.074 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.562 -10.962 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.822 -9.480 1.705 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.481 -8.570 4.460 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.878 -7.880 5.661 1.00 0.00 C ATOM 1674 C PHE A 105 -2.488 -8.451 6.945 1.00 0.00 C ATOM 1675 O PHE A 105 -1.780 -8.776 7.880 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.251 -6.392 5.524 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.314 -5.529 6.333 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.343 -5.567 7.732 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.426 -4.673 5.678 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.481 -4.752 8.467 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.433 -3.859 6.414 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.406 -3.898 7.807 1.00 0.00 C ATOM 0 H PHE A 105 -2.915 -7.949 3.777 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.798 -8.022 5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.210 -6.097 4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.277 -6.237 5.859 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.031 -6.226 8.241 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.405 -4.642 4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.500 -4.781 9.546 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.119 -3.198 5.905 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.072 -3.267 8.377 1.00 0.00 H new ATOM 1692 N SER A 106 -3.797 -8.586 6.993 1.00 0.00 N ATOM 1693 CA SER A 106 -4.431 -9.155 8.232 1.00 0.00 C ATOM 1694 C SER A 106 -4.021 -10.626 8.407 1.00 0.00 C ATOM 1695 O SER A 106 -3.904 -11.102 9.520 1.00 0.00 O ATOM 1696 CB SER A 106 -5.952 -9.043 8.046 1.00 0.00 C ATOM 1697 OG SER A 106 -6.295 -7.689 7.778 1.00 0.00 O ATOM 0 H SER A 106 -4.442 -8.333 6.245 1.00 0.00 H new ATOM 0 HA SER A 106 -4.108 -8.614 9.121 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.277 -9.682 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.466 -9.390 8.943 1.00 0.00 H new ATOM 0 HG SER A 106 -7.265 -7.615 7.657 1.00 0.00 H new ATOM 1703 N THR A 107 -3.799 -11.356 7.326 1.00 0.00 N ATOM 1704 CA THR A 107 -3.395 -12.796 7.482 1.00 0.00 C ATOM 1705 C THR A 107 -1.955 -12.887 7.980 1.00 0.00 C ATOM 1706 O THR A 107 -1.676 -13.635 8.902 1.00 0.00 O ATOM 1707 CB THR A 107 -3.536 -13.459 6.101 1.00 0.00 C ATOM 1708 OG1 THR A 107 -4.649 -12.896 5.420 1.00 0.00 O ATOM 1709 CG2 THR A 107 -3.751 -14.963 6.276 1.00 0.00 C ATOM 0 H THR A 107 -3.879 -11.023 6.365 1.00 0.00 H new ATOM 0 HA THR A 107 -4.026 -13.302 8.213 1.00 0.00 H new ATOM 0 HB THR A 107 -2.629 -13.289 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.740 -13.316 4.539 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.851 -15.433 5.297 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.898 -15.394 6.800 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.658 -15.136 6.856 1.00 0.00 H new ATOM 1717 N MET A 108 -1.034 -12.123 7.422 1.00 0.00 N ATOM 1718 CA MET A 108 0.365 -12.198 7.953 1.00 0.00 C ATOM 1719 C MET A 108 0.428 -11.427 9.275 1.00 0.00 C ATOM 1720 O MET A 108 1.150 -11.810 10.178 1.00 0.00 O ATOM 1721 CB MET A 108 1.302 -11.569 6.920 1.00 0.00 C ATOM 1722 CG MET A 108 2.753 -11.885 7.313 1.00 0.00 C ATOM 1723 SD MET A 108 3.340 -13.326 6.385 1.00 0.00 S ATOM 1724 CE MET A 108 5.112 -13.025 6.595 1.00 0.00 C ATOM 0 H MET A 108 -1.186 -11.474 6.650 1.00 0.00 H new ATOM 0 HA MET A 108 0.665 -13.231 8.131 1.00 0.00 H new ATOM 0 HB2 MET A 108 1.086 -11.961 5.926 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.148 -10.491 6.878 1.00 0.00 H new ATOM 0 HG2 MET A 108 3.390 -11.025 7.108 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.815 -12.080 8.384 1.00 0.00 H new ATOM 0 HE1 MET A 108 5.677 -13.810 6.092 1.00 0.00 H new ATOM 0 HE2 MET A 108 5.371 -12.058 6.163 1.00 0.00 H new ATOM 0 HE3 MET A 108 5.358 -13.025 7.657 1.00 0.00 H new ATOM 1734 N MET A 109 -0.341 -10.354 9.419 1.00 0.00 N ATOM 1735 CA MET A 109 -0.318 -9.601 10.721 1.00 0.00 C ATOM 1736 C MET A 109 -0.650 -10.576 11.864 1.00 0.00 C ATOM 1737 O MET A 109 -0.050 -10.518 12.914 1.00 0.00 O ATOM 1738 CB MET A 109 -1.394 -8.501 10.623 1.00 0.00 C ATOM 1739 CG MET A 109 -1.451 -7.707 11.933 1.00 0.00 C ATOM 1740 SD MET A 109 -2.690 -8.438 13.034 1.00 0.00 S ATOM 1741 CE MET A 109 -3.965 -7.173 12.811 1.00 0.00 C ATOM 0 H MET A 109 -0.967 -9.980 8.706 1.00 0.00 H new ATOM 0 HA MET A 109 0.659 -9.158 10.917 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.168 -7.832 9.792 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.366 -8.949 10.417 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.474 -7.711 12.415 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.701 -6.666 11.728 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.838 -7.427 13.412 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.576 -6.205 13.127 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.249 -7.124 11.760 1.00 0.00 H new ATOM 1751 N SER A 110 -1.573 -11.501 11.668 1.00 0.00 N ATOM 1752 CA SER A 110 -1.865 -12.476 12.782 1.00 0.00 C ATOM 1753 C SER A 110 -0.594 -13.283 13.110 1.00 0.00 C ATOM 1754 O SER A 110 -0.365 -13.634 14.252 1.00 0.00 O ATOM 1755 CB SER A 110 -2.982 -13.406 12.291 1.00 0.00 C ATOM 1756 OG SER A 110 -4.131 -12.632 11.972 1.00 0.00 O ATOM 0 H SER A 110 -2.120 -11.622 10.816 1.00 0.00 H new ATOM 0 HA SER A 110 -2.176 -11.957 13.689 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.649 -13.962 11.415 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.225 -14.139 13.060 1.00 0.00 H new ATOM 0 HG SER A 110 -4.001 -12.196 11.104 1.00 0.00 H new ATOM 1762 N VAL A 111 0.247 -13.562 12.130 1.00 0.00 N ATOM 1763 CA VAL A 111 1.507 -14.327 12.430 1.00 0.00 C ATOM 1764 C VAL A 111 2.579 -13.412 13.068 1.00 0.00 C ATOM 1765 O VAL A 111 3.590 -13.901 13.537 1.00 0.00 O ATOM 1766 CB VAL A 111 2.013 -14.887 11.089 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.259 -15.742 11.326 1.00 0.00 C ATOM 1768 CG2 VAL A 111 0.921 -15.752 10.453 1.00 0.00 C ATOM 0 H VAL A 111 0.117 -13.298 11.153 1.00 0.00 H new ATOM 0 HA VAL A 111 1.307 -15.126 13.144 1.00 0.00 H new ATOM 0 HB VAL A 111 2.260 -14.060 10.424 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.615 -16.137 10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.039 -15.131 11.780 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.012 -16.568 11.993 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.279 -16.149 9.503 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.675 -16.577 11.122 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.031 -15.146 10.281 1.00 0.00 H new ATOM 1778 N HIS A 112 2.378 -12.101 13.118 1.00 0.00 N ATOM 1779 CA HIS A 112 3.399 -11.221 13.755 1.00 0.00 C ATOM 1780 C HIS A 112 3.120 -11.121 15.278 1.00 0.00 C ATOM 1781 O HIS A 112 4.024 -10.871 16.054 1.00 0.00 O ATOM 1782 CB HIS A 112 3.289 -9.859 13.004 1.00 0.00 C ATOM 1783 CG HIS A 112 2.610 -8.800 13.834 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.284 -8.872 14.213 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.090 -7.659 14.383 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.017 -7.798 14.967 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.089 -7.017 15.106 1.00 0.00 N ATOM 0 H HIS A 112 1.558 -11.621 12.747 1.00 0.00 H new ATOM 0 HA HIS A 112 4.418 -11.600 13.676 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.287 -9.517 12.729 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.734 -10.002 12.077 1.00 0.00 H new ATOM 0 HD1 HIS A 112 0.626 -9.611 13.963 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.103 -7.299 14.275 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.053 -7.590 15.408 1.00 0.00 H new ATOM 1795 N ARG A 113 1.880 -11.317 15.715 1.00 0.00 N ATOM 1796 CA ARG A 113 1.589 -11.228 17.185 1.00 0.00 C ATOM 1797 C ARG A 113 1.624 -12.628 17.826 1.00 0.00 C ATOM 1798 O ARG A 113 2.052 -12.780 18.954 1.00 0.00 O ATOM 1799 CB ARG A 113 0.182 -10.615 17.300 1.00 0.00 C ATOM 1800 CG ARG A 113 0.221 -9.396 18.226 1.00 0.00 C ATOM 1801 CD ARG A 113 -1.143 -8.700 18.214 1.00 0.00 C ATOM 1802 NE ARG A 113 -2.017 -9.555 19.064 1.00 0.00 N ATOM 1803 CZ ARG A 113 -2.018 -9.404 20.360 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -2.822 -8.539 20.915 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -1.214 -10.116 21.100 1.00 0.00 N ATOM 0 H ARG A 113 1.078 -11.530 15.122 1.00 0.00 H new ATOM 0 HA ARG A 113 2.331 -10.622 17.704 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.179 -10.323 16.314 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.517 -11.356 17.688 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.474 -9.705 19.240 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.997 -8.703 17.900 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.073 -7.688 18.612 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.536 -8.618 17.201 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.615 -10.259 18.633 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.449 -7.981 20.336 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.823 -8.421 21.928 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.584 -10.791 20.666 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.215 -9.998 22.113 1.00 0.00 H new ATOM 1819 N GLY A 114 1.175 -13.656 17.125 1.00 0.00 N ATOM 1820 CA GLY A 114 1.189 -15.030 17.713 1.00 0.00 C ATOM 1821 C GLY A 114 2.625 -15.430 18.090 1.00 0.00 C ATOM 1822 O GLY A 114 2.843 -16.067 19.104 1.00 0.00 O ATOM 0 H GLY A 114 0.803 -13.595 16.177 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.551 -15.062 18.596 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.780 -15.744 16.998 1.00 0.00 H new ATOM 2000 N GLU B 7 9.728 -9.168 -6.892 1.00 0.00 N ATOM 2001 CA GLU B 7 9.413 -8.719 -5.494 1.00 0.00 C ATOM 2002 C GLU B 7 10.009 -7.327 -5.254 1.00 0.00 C ATOM 2003 O GLU B 7 10.715 -7.108 -4.287 1.00 0.00 O ATOM 2004 CB GLU B 7 10.049 -9.758 -4.562 1.00 0.00 C ATOM 2005 CG GLU B 7 9.138 -9.988 -3.356 1.00 0.00 C ATOM 2006 CD GLU B 7 8.167 -11.130 -3.665 1.00 0.00 C ATOM 2007 OE1 GLU B 7 8.627 -12.171 -4.103 1.00 0.00 O ATOM 2008 OE2 GLU B 7 6.979 -10.942 -3.459 1.00 0.00 O ATOM 0 HA GLU B 7 8.340 -8.647 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU B 7 10.205 -10.695 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU B 7 11.029 -9.413 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU B 7 9.734 -10.231 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU B 7 8.585 -9.078 -3.125 1.00 0.00 H new ATOM 2015 N VAL B 8 9.730 -6.380 -6.129 1.00 0.00 N ATOM 2016 CA VAL B 8 10.294 -4.993 -5.938 1.00 0.00 C ATOM 2017 C VAL B 8 9.839 -4.438 -4.580 1.00 0.00 C ATOM 2018 O VAL B 8 10.624 -3.858 -3.855 1.00 0.00 O ATOM 2019 CB VAL B 8 9.756 -4.124 -7.086 1.00 0.00 C ATOM 2020 CG1 VAL B 8 10.286 -2.694 -6.942 1.00 0.00 C ATOM 2021 CG2 VAL B 8 10.226 -4.705 -8.421 1.00 0.00 C ATOM 0 H VAL B 8 9.145 -6.503 -6.956 1.00 0.00 H new ATOM 0 HA VAL B 8 11.384 -5.001 -5.949 1.00 0.00 H new ATOM 0 HB VAL B 8 8.667 -4.111 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.903 -2.080 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL B 8 9.957 -2.278 -5.989 1.00 0.00 H new ATOM 0 HG13 VAL B 8 11.375 -2.705 -6.977 1.00 0.00 H new ATOM 0 HG21 VAL B 8 9.847 -4.092 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL B 8 11.316 -4.715 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.851 -5.723 -8.527 1.00 0.00 H new ATOM 2031 N SER B 9 8.583 -4.629 -4.215 1.00 0.00 N ATOM 2032 CA SER B 9 8.114 -4.117 -2.874 1.00 0.00 C ATOM 2033 C SER B 9 9.019 -4.687 -1.768 1.00 0.00 C ATOM 2034 O SER B 9 9.359 -3.997 -0.824 1.00 0.00 O ATOM 2035 CB SER B 9 6.672 -4.613 -2.688 1.00 0.00 C ATOM 2036 OG SER B 9 6.024 -3.815 -1.706 1.00 0.00 O ATOM 0 H SER B 9 7.876 -5.107 -4.774 1.00 0.00 H new ATOM 0 HA SER B 9 8.156 -3.029 -2.823 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.131 -4.558 -3.633 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.672 -5.659 -2.381 1.00 0.00 H new ATOM 0 HG SER B 9 5.055 -3.847 -1.846 1.00 0.00 H new ATOM 2042 N SER B 10 9.434 -5.935 -1.890 1.00 0.00 N ATOM 2043 CA SER B 10 10.345 -6.520 -0.845 1.00 0.00 C ATOM 2044 C SER B 10 11.720 -5.844 -0.941 1.00 0.00 C ATOM 2045 O SER B 10 12.309 -5.487 0.061 1.00 0.00 O ATOM 2046 CB SER B 10 10.473 -8.018 -1.160 1.00 0.00 C ATOM 2047 OG SER B 10 9.410 -8.724 -0.535 1.00 0.00 O ATOM 0 H SER B 10 9.185 -6.563 -2.655 1.00 0.00 H new ATOM 0 HA SER B 10 9.954 -6.367 0.161 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.446 -8.178 -2.238 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.432 -8.395 -0.806 1.00 0.00 H new ATOM 0 HG SER B 10 9.706 -9.631 -0.313 1.00 0.00 H new ATOM 2053 N ILE B 11 12.228 -5.651 -2.142 1.00 0.00 N ATOM 2054 CA ILE B 11 13.566 -4.975 -2.284 1.00 0.00 C ATOM 2055 C ILE B 11 13.457 -3.523 -1.791 1.00 0.00 C ATOM 2056 O ILE B 11 14.356 -3.019 -1.144 1.00 0.00 O ATOM 2057 CB ILE B 11 13.928 -5.017 -3.782 1.00 0.00 C ATOM 2058 CG1 ILE B 11 14.022 -6.476 -4.242 1.00 0.00 C ATOM 2059 CG2 ILE B 11 15.275 -4.328 -4.012 1.00 0.00 C ATOM 2060 CD1 ILE B 11 13.512 -6.592 -5.679 1.00 0.00 C ATOM 0 H ILE B 11 11.783 -5.927 -3.017 1.00 0.00 H new ATOM 0 HA ILE B 11 14.335 -5.472 -1.693 1.00 0.00 H new ATOM 0 HB ILE B 11 13.156 -4.499 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE B 11 15.054 -6.821 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.433 -7.115 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE B 11 15.524 -4.361 -5.073 1.00 0.00 H new ATOM 0 HG22 ILE B 11 15.213 -3.290 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE B 11 16.049 -4.842 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE B 11 13.579 -7.630 -6.006 1.00 0.00 H new ATOM 0 HD12 ILE B 11 12.474 -6.263 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.119 -5.966 -6.332 1.00 0.00 H new ATOM 2072 N LEU B 12 12.361 -2.845 -2.082 1.00 0.00 N ATOM 2073 CA LEU B 12 12.218 -1.423 -1.605 1.00 0.00 C ATOM 2074 C LEU B 12 12.272 -1.375 -0.069 1.00 0.00 C ATOM 2075 O LEU B 12 12.840 -0.461 0.501 1.00 0.00 O ATOM 2076 CB LEU B 12 10.852 -0.921 -2.101 1.00 0.00 C ATOM 2077 CG LEU B 12 10.987 -0.403 -3.534 1.00 0.00 C ATOM 2078 CD1 LEU B 12 9.645 -0.538 -4.256 1.00 0.00 C ATOM 2079 CD2 LEU B 12 11.403 1.068 -3.506 1.00 0.00 C ATOM 0 H LEU B 12 11.573 -3.208 -2.619 1.00 0.00 H new ATOM 0 HA LEU B 12 13.025 -0.799 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU B 12 10.120 -1.728 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.486 -0.128 -1.449 1.00 0.00 H new ATOM 0 HG LEU B 12 11.743 -0.986 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU B 12 9.742 -0.169 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU B 12 9.347 -1.586 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU B 12 8.889 0.044 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU B 12 11.500 1.438 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU B 12 10.647 1.650 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU B 12 12.359 1.166 -2.993 1.00 0.00 H new ATOM 2091 N GLU B 13 11.689 -2.347 0.613 1.00 0.00 N ATOM 2092 CA GLU B 13 11.729 -2.323 2.122 1.00 0.00 C ATOM 2093 C GLU B 13 13.186 -2.326 2.611 1.00 0.00 C ATOM 2094 O GLU B 13 13.525 -1.630 3.551 1.00 0.00 O ATOM 2095 CB GLU B 13 11.005 -3.589 2.609 1.00 0.00 C ATOM 2096 CG GLU B 13 10.887 -3.558 4.134 1.00 0.00 C ATOM 2097 CD GLU B 13 12.051 -4.333 4.755 1.00 0.00 C ATOM 2098 OE1 GLU B 13 11.940 -5.543 4.862 1.00 0.00 O ATOM 2099 OE2 GLU B 13 13.033 -3.704 5.112 1.00 0.00 O ATOM 0 H GLU B 13 11.197 -3.140 0.200 1.00 0.00 H new ATOM 0 HA GLU B 13 11.248 -1.425 2.511 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.014 -3.650 2.159 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.553 -4.477 2.295 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.893 -2.527 4.488 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.938 -3.996 4.444 1.00 0.00 H new ATOM 2106 N GLU B 14 14.053 -3.094 1.982 1.00 0.00 N ATOM 2107 CA GLU B 14 15.492 -3.113 2.433 1.00 0.00 C ATOM 2108 C GLU B 14 16.138 -1.739 2.183 1.00 0.00 C ATOM 2109 O GLU B 14 16.919 -1.267 2.987 1.00 0.00 O ATOM 2110 CB GLU B 14 16.205 -4.192 1.603 1.00 0.00 C ATOM 2111 CG GLU B 14 17.352 -4.790 2.419 1.00 0.00 C ATOM 2112 CD GLU B 14 18.157 -5.752 1.542 1.00 0.00 C ATOM 2113 OE1 GLU B 14 17.550 -6.428 0.729 1.00 0.00 O ATOM 2114 OE2 GLU B 14 19.366 -5.794 1.699 1.00 0.00 O ATOM 0 H GLU B 14 13.834 -3.699 1.190 1.00 0.00 H new ATOM 0 HA GLU B 14 15.567 -3.329 3.499 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.500 -4.974 1.321 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.589 -3.760 0.679 1.00 0.00 H new ATOM 0 HG2 GLU B 14 17.998 -3.996 2.794 1.00 0.00 H new ATOM 0 HG3 GLU B 14 16.958 -5.317 3.288 1.00 0.00 H new