USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=30 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 20 THR OG1 : rot 170:sc= -1.08 USER MOD Set 1.2: A 108 MET CE :methyl -143:sc= -0.0412 (180deg=-0.131) USER MOD Set 2.1: A 106 SER OG : rot -71:sc= 0.163 USER MOD Set 2.2: A 107 THR OG1 : rot 180:sc= 0.0135 USER MOD Set 3.1: A 96 THR OG1 : rot 180:sc= -0.225 USER MOD Set 3.2: A 97 ASN : amide:sc= 0 X(o=-0.23,f=0.14) USER MOD Set 4.1: A 79 SER OG : rot -162:sc= -0.795! USER MOD Set 4.2: A 82 THR OG1 : rot 153:sc= 0.959 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 150:sc= -1.71! USER MOD Single : A 24 SER OG : rot -99:sc= 0.237 USER MOD Single : A 27 SER OG : rot -64:sc= 0.961 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= 0.0644 X(o=0.064,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 0.173 (180deg=-0.342) USER MOD Single : A 34 GLN : amide:sc= -2.3 X(o=-2.3,f=-1.9) 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+ -93:sc= -0.0026 (180deg=-0.263) USER MOD Single : A 51 MET CE :methyl 156:sc= -1.03 (180deg=-2.68) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.68 K(o=-1.7,f=-2.5) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= -2.49! (180deg=-3.78!) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00436) 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 -115:sc= -2.33 (180deg=-3.59!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.657 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 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0732 X(o=-0.073,f=-0.14) USER MOD Single : A 87 ASN : amide:sc= -0.645 K(o=-0.65,f=-2.8!) USER MOD Single : A 92 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.7!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HE2:sc= -4.38! C(o=-4.4!,f=-12!) USER MOD Single : B 9 SER OG : rot -160:sc= -1.29! USER MOD Single : B 10 SER OG : rot 166:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 1.556 -12.302 -5.221 1.00 0.00 N ATOM 223 CA ILE A 14 2.562 -11.213 -5.430 1.00 0.00 C ATOM 224 C ILE A 14 2.006 -9.913 -4.816 1.00 0.00 C ATOM 225 O ILE A 14 2.729 -9.168 -4.181 1.00 0.00 O ATOM 226 CB ILE A 14 2.788 -11.118 -6.962 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.130 -10.423 -7.251 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.649 -10.354 -7.655 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.133 -8.999 -6.688 1.00 0.00 C ATOM 0 HA ILE A 14 3.519 -11.404 -4.945 1.00 0.00 H new ATOM 0 HB ILE A 14 2.805 -12.132 -7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.945 -10.996 -6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.307 -10.395 -8.326 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.841 -10.307 -8.727 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.705 -10.869 -7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.592 -9.343 -7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.091 -8.525 -6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.331 -8.423 -7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.979 -9.034 -5.609 1.00 0.00 H new ATOM 241 N GLU A 15 0.719 -9.655 -4.970 1.00 0.00 N ATOM 242 CA GLU A 15 0.133 -8.421 -4.350 1.00 0.00 C ATOM 243 C GLU A 15 0.056 -8.604 -2.826 1.00 0.00 C ATOM 244 O GLU A 15 0.165 -7.643 -2.089 1.00 0.00 O ATOM 245 CB GLU A 15 -1.276 -8.244 -4.942 1.00 0.00 C ATOM 246 CG GLU A 15 -1.548 -6.755 -5.170 1.00 0.00 C ATOM 247 CD GLU A 15 -1.214 -6.390 -6.619 1.00 0.00 C ATOM 248 OE1 GLU A 15 -0.134 -6.742 -7.063 1.00 0.00 O ATOM 249 OE2 GLU A 15 -2.044 -5.764 -7.258 1.00 0.00 O ATOM 0 H GLU A 15 0.063 -10.238 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 15 0.744 -7.542 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.358 -8.788 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.022 -8.662 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.593 -6.529 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.948 -6.156 -4.485 1.00 0.00 H new ATOM 256 N GLY A 16 -0.122 -9.822 -2.333 1.00 0.00 N ATOM 257 CA GLY A 16 -0.182 -10.011 -0.851 1.00 0.00 C ATOM 258 C GLY A 16 1.194 -9.710 -0.247 1.00 0.00 C ATOM 259 O GLY A 16 1.287 -9.102 0.804 1.00 0.00 O ATOM 0 H GLY A 16 -0.225 -10.671 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.934 -9.351 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.480 -11.032 -0.615 1.00 0.00 H new ATOM 263 N ARG A 17 2.268 -10.112 -0.900 1.00 0.00 N ATOM 264 CA ARG A 17 3.633 -9.811 -0.334 1.00 0.00 C ATOM 265 C ARG A 17 3.854 -8.294 -0.216 1.00 0.00 C ATOM 266 O ARG A 17 4.676 -7.864 0.562 1.00 0.00 O ATOM 267 CB ARG A 17 4.661 -10.425 -1.298 1.00 0.00 C ATOM 268 CG ARG A 17 4.930 -11.878 -0.903 1.00 0.00 C ATOM 269 CD ARG A 17 5.486 -12.641 -2.107 1.00 0.00 C ATOM 270 NE ARG A 17 5.959 -13.941 -1.554 1.00 0.00 N ATOM 271 CZ ARG A 17 5.102 -14.888 -1.290 1.00 0.00 C ATOM 272 NH1 ARG A 17 4.713 -15.699 -2.235 1.00 0.00 N ATOM 273 NH2 ARG A 17 4.634 -15.026 -0.079 1.00 0.00 N ATOM 0 H ARG A 17 2.261 -10.625 -1.782 1.00 0.00 H new ATOM 0 HA ARG A 17 3.733 -10.230 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.288 -10.379 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.588 -9.852 -1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.639 -11.916 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.010 -12.347 -0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.720 -12.791 -2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.301 -12.093 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 17 6.953 -14.090 -1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.079 -15.593 -3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.043 -16.439 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.939 -14.393 0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.964 -15.767 0.127 1.00 0.00 H new ATOM 287 N TYR A 18 3.143 -7.467 -0.966 1.00 0.00 N ATOM 288 CA TYR A 18 3.367 -5.982 -0.831 1.00 0.00 C ATOM 289 C TYR A 18 3.065 -5.541 0.607 1.00 0.00 C ATOM 290 O TYR A 18 3.778 -4.727 1.165 1.00 0.00 O ATOM 291 CB TYR A 18 2.401 -5.287 -1.808 1.00 0.00 C ATOM 292 CG TYR A 18 3.064 -5.091 -3.154 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.743 -6.151 -3.773 1.00 0.00 C ATOM 294 CD2 TYR A 18 2.989 -3.846 -3.788 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.347 -5.960 -5.022 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.590 -3.656 -5.036 1.00 0.00 C ATOM 297 CZ TYR A 18 4.270 -4.714 -5.654 1.00 0.00 C ATOM 298 OH TYR A 18 4.864 -4.526 -6.885 1.00 0.00 O ATOM 0 H TYR A 18 2.437 -7.747 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 18 4.401 -5.721 -1.058 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.498 -5.886 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.094 -4.323 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.800 -7.114 -3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.466 -3.030 -3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.873 -6.775 -5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.530 -2.694 -5.524 1.00 0.00 H new ATOM 0 HH TYR A 18 4.715 -3.604 -7.183 1.00 0.00 H new ATOM 308 N ALA A 19 2.027 -6.078 1.224 1.00 0.00 N ATOM 309 CA ALA A 19 1.731 -5.668 2.640 1.00 0.00 C ATOM 310 C ALA A 19 2.721 -6.356 3.585 1.00 0.00 C ATOM 311 O ALA A 19 3.205 -5.748 4.520 1.00 0.00 O ATOM 312 CB ALA A 19 0.299 -6.119 2.963 1.00 0.00 C ATOM 0 H ALA A 19 1.389 -6.764 0.819 1.00 0.00 H new ATOM 0 HA ALA A 19 1.826 -4.589 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.051 -5.837 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.397 -5.640 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.226 -7.201 2.858 1.00 0.00 H new ATOM 318 N THR A 20 3.036 -7.615 3.353 1.00 0.00 N ATOM 319 CA THR A 20 4.006 -8.307 4.267 1.00 0.00 C ATOM 320 C THR A 20 5.442 -7.827 4.007 1.00 0.00 C ATOM 321 O THR A 20 6.238 -7.763 4.926 1.00 0.00 O ATOM 322 CB THR A 20 3.867 -9.819 4.018 1.00 0.00 C ATOM 323 OG1 THR A 20 3.193 -10.039 2.784 1.00 0.00 O ATOM 324 CG2 THR A 20 3.063 -10.444 5.163 1.00 0.00 C ATOM 0 H THR A 20 2.671 -8.181 2.587 1.00 0.00 H new ATOM 0 HA THR A 20 3.786 -8.075 5.309 1.00 0.00 H new ATOM 0 HB THR A 20 4.855 -10.276 3.972 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.246 -10.988 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.961 -11.516 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.581 -10.274 6.107 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.074 -9.987 5.205 1.00 0.00 H new ATOM 332 N ALA A 21 5.781 -7.453 2.789 1.00 0.00 N ATOM 333 CA ALA A 21 7.171 -6.942 2.543 1.00 0.00 C ATOM 334 C ALA A 21 7.274 -5.467 2.975 1.00 0.00 C ATOM 335 O ALA A 21 8.362 -4.964 3.183 1.00 0.00 O ATOM 336 CB ALA A 21 7.438 -7.085 1.038 1.00 0.00 C ATOM 0 H ALA A 21 5.169 -7.479 1.973 1.00 0.00 H new ATOM 0 HA ALA A 21 7.906 -7.504 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.441 -6.724 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.356 -8.134 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.707 -6.499 0.481 1.00 0.00 H new ATOM 342 N LEU A 22 6.160 -4.772 3.145 1.00 0.00 N ATOM 343 CA LEU A 22 6.241 -3.347 3.600 1.00 0.00 C ATOM 344 C LEU A 22 6.040 -3.307 5.111 1.00 0.00 C ATOM 345 O LEU A 22 6.752 -2.610 5.813 1.00 0.00 O ATOM 346 CB LEU A 22 5.118 -2.587 2.882 1.00 0.00 C ATOM 347 CG LEU A 22 5.143 -1.109 3.307 1.00 0.00 C ATOM 348 CD1 LEU A 22 5.743 -0.258 2.186 1.00 0.00 C ATOM 349 CD2 LEU A 22 3.716 -0.635 3.602 1.00 0.00 C ATOM 0 H LEU A 22 5.217 -5.129 2.989 1.00 0.00 H new ATOM 0 HA LEU A 22 7.206 -2.895 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.243 -2.668 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.152 -3.030 3.125 1.00 0.00 H new ATOM 0 HG LEU A 22 5.753 -1.004 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.759 0.788 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.760 -0.591 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.138 -0.364 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.735 0.412 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.104 -0.744 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.292 -1.236 4.407 1.00 0.00 H new ATOM 361 N TYR A 23 5.100 -4.072 5.631 1.00 0.00 N ATOM 362 CA TYR A 23 4.911 -4.079 7.103 1.00 0.00 C ATOM 363 C TYR A 23 6.015 -4.938 7.765 1.00 0.00 C ATOM 364 O TYR A 23 6.229 -4.817 8.951 1.00 0.00 O ATOM 365 CB TYR A 23 3.455 -4.575 7.356 1.00 0.00 C ATOM 366 CG TYR A 23 3.395 -5.922 8.033 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.824 -6.057 9.353 1.00 0.00 C ATOM 368 CD2 TYR A 23 2.908 -7.024 7.335 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.775 -7.298 9.977 1.00 0.00 C ATOM 370 CE2 TYR A 23 2.856 -8.267 7.951 1.00 0.00 C ATOM 371 CZ TYR A 23 3.293 -8.414 9.276 1.00 0.00 C ATOM 372 OH TYR A 23 3.241 -9.649 9.889 1.00 0.00 O ATOM 0 H TYR A 23 4.472 -4.677 5.102 1.00 0.00 H new ATOM 0 HA TYR A 23 5.017 -3.094 7.558 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.930 -3.843 7.970 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.926 -4.630 6.404 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.195 -5.197 9.891 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.571 -6.912 6.315 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.107 -7.403 10.999 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.479 -9.122 7.410 1.00 0.00 H new ATOM 0 HH TYR A 23 2.500 -10.169 9.514 1.00 0.00 H new ATOM 382 N SER A 24 6.740 -5.786 7.027 1.00 0.00 N ATOM 383 CA SER A 24 7.841 -6.587 7.693 1.00 0.00 C ATOM 384 C SER A 24 8.758 -5.619 8.463 1.00 0.00 C ATOM 385 O SER A 24 9.154 -5.888 9.581 1.00 0.00 O ATOM 386 CB SER A 24 8.620 -7.297 6.577 1.00 0.00 C ATOM 387 OG SER A 24 9.981 -7.432 6.964 1.00 0.00 O ATOM 0 H SER A 24 6.618 -5.950 6.028 1.00 0.00 H new ATOM 0 HA SER A 24 7.444 -7.320 8.396 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.186 -8.278 6.383 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.549 -6.728 5.650 1.00 0.00 H new ATOM 0 HG SER A 24 10.512 -6.724 6.543 1.00 0.00 H new ATOM 393 N ALA A 25 9.034 -4.457 7.895 1.00 0.00 N ATOM 394 CA ALA A 25 9.851 -3.446 8.638 1.00 0.00 C ATOM 395 C ALA A 25 8.945 -2.802 9.702 1.00 0.00 C ATOM 396 O ALA A 25 9.370 -2.550 10.814 1.00 0.00 O ATOM 397 CB ALA A 25 10.313 -2.398 7.613 1.00 0.00 C ATOM 0 H ALA A 25 8.731 -4.175 6.963 1.00 0.00 H new ATOM 0 HA ALA A 25 10.718 -3.888 9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.914 -1.639 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.911 -2.883 6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.442 -1.928 7.156 1.00 0.00 H new ATOM 403 N ALA A 26 7.681 -2.556 9.376 1.00 0.00 N ATOM 404 CA ALA A 26 6.750 -1.955 10.394 1.00 0.00 C ATOM 405 C ALA A 26 6.639 -2.891 11.610 1.00 0.00 C ATOM 406 O ALA A 26 6.605 -2.440 12.739 1.00 0.00 O ATOM 407 CB ALA A 26 5.378 -1.818 9.711 1.00 0.00 C ATOM 0 H ALA A 26 7.266 -2.744 8.463 1.00 0.00 H new ATOM 0 HA ALA A 26 7.113 -0.988 10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.664 -1.385 10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.469 -1.171 8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.028 -2.802 9.398 1.00 0.00 H new ATOM 413 N SER A 27 6.584 -4.195 11.393 1.00 0.00 N ATOM 414 CA SER A 27 6.477 -5.146 12.560 1.00 0.00 C ATOM 415 C SER A 27 7.664 -4.934 13.513 1.00 0.00 C ATOM 416 O SER A 27 7.503 -4.949 14.719 1.00 0.00 O ATOM 417 CB SER A 27 6.516 -6.568 11.980 1.00 0.00 C ATOM 418 OG SER A 27 7.864 -6.927 11.708 1.00 0.00 O ATOM 0 H SER A 27 6.608 -4.635 10.473 1.00 0.00 H new ATOM 0 HA SER A 27 5.558 -4.979 13.122 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.075 -7.273 12.685 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.923 -6.617 11.067 1.00 0.00 H new ATOM 0 HG SER A 27 8.227 -6.336 11.016 1.00 0.00 H new ATOM 424 N LYS A 28 8.856 -4.726 12.984 1.00 0.00 N ATOM 425 CA LYS A 28 10.044 -4.501 13.886 1.00 0.00 C ATOM 426 C LYS A 28 9.795 -3.287 14.797 1.00 0.00 C ATOM 427 O LYS A 28 10.202 -3.280 15.943 1.00 0.00 O ATOM 428 CB LYS A 28 11.251 -4.234 12.972 1.00 0.00 C ATOM 429 CG LYS A 28 11.613 -5.512 12.216 1.00 0.00 C ATOM 430 CD LYS A 28 13.068 -5.435 11.751 1.00 0.00 C ATOM 431 CE LYS A 28 13.565 -6.836 11.390 1.00 0.00 C ATOM 432 NZ LYS A 28 13.177 -7.027 9.965 1.00 0.00 N ATOM 0 H LYS A 28 9.056 -4.702 11.984 1.00 0.00 H new ATOM 0 HA LYS A 28 10.219 -5.367 14.525 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.017 -3.436 12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.101 -3.897 13.565 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.471 -6.380 12.859 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.952 -5.639 11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.150 -4.775 10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.690 -5.009 12.538 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.644 -6.918 11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.109 -7.593 12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.485 -7.967 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.144 -6.951 9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.631 -6.296 9.381 1.00 0.00 H new ATOM 446 N GLN A 29 9.124 -2.259 14.305 1.00 0.00 N ATOM 447 CA GLN A 29 8.858 -1.063 15.171 1.00 0.00 C ATOM 448 C GLN A 29 7.399 -1.033 15.682 1.00 0.00 C ATOM 449 O GLN A 29 6.958 -0.028 16.206 1.00 0.00 O ATOM 450 CB GLN A 29 9.135 0.155 14.283 1.00 0.00 C ATOM 451 CG GLN A 29 10.638 0.265 14.020 1.00 0.00 C ATOM 452 CD GLN A 29 10.952 1.638 13.414 1.00 0.00 C ATOM 453 OE1 GLN A 29 11.538 2.478 14.067 1.00 0.00 O ATOM 454 NE2 GLN A 29 10.589 1.909 12.184 1.00 0.00 N ATOM 0 H GLN A 29 8.756 -2.201 13.355 1.00 0.00 H new ATOM 0 HA GLN A 29 9.488 -1.081 16.060 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.596 0.061 13.340 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.773 1.062 14.768 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.191 0.131 14.949 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.958 -0.526 13.341 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.097 1.207 11.631 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.799 2.822 11.780 1.00 0.00 H new ATOM 463 N ASN A 30 6.634 -2.111 15.544 1.00 0.00 N ATOM 464 CA ASN A 30 5.214 -2.110 16.031 1.00 0.00 C ATOM 465 C ASN A 30 4.404 -1.089 15.231 1.00 0.00 C ATOM 466 O ASN A 30 3.614 -0.345 15.782 1.00 0.00 O ATOM 467 CB ASN A 30 5.257 -1.730 17.519 1.00 0.00 C ATOM 468 CG ASN A 30 4.171 -2.505 18.278 1.00 0.00 C ATOM 469 OD1 ASN A 30 4.470 -3.435 18.999 1.00 0.00 O ATOM 470 ND2 ASN A 30 2.912 -2.162 18.147 1.00 0.00 N ATOM 0 H ASN A 30 6.940 -2.984 15.115 1.00 0.00 H new ATOM 0 HA ASN A 30 4.741 -3.084 15.902 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.239 -1.957 17.935 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.102 -0.657 17.636 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.188 -2.676 18.650 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.656 -1.381 17.542 1.00 0.00 H new ATOM 477 N LYS A 31 4.587 -1.054 13.928 1.00 0.00 N ATOM 478 CA LYS A 31 3.815 -0.084 13.093 1.00 0.00 C ATOM 479 C LYS A 31 2.633 -0.764 12.370 1.00 0.00 C ATOM 480 O LYS A 31 1.872 -0.085 11.710 1.00 0.00 O ATOM 481 CB LYS A 31 4.816 0.483 12.077 1.00 0.00 C ATOM 482 CG LYS A 31 5.356 1.823 12.581 1.00 0.00 C ATOM 483 CD LYS A 31 6.187 1.598 13.846 1.00 0.00 C ATOM 484 CE LYS A 31 7.145 2.774 14.045 1.00 0.00 C ATOM 485 NZ LYS A 31 7.235 2.949 15.521 1.00 0.00 N ATOM 0 H LYS A 31 5.234 -1.652 13.414 1.00 0.00 H new ATOM 0 HA LYS A 31 3.378 0.698 13.714 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.637 -0.219 11.929 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.332 0.615 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.967 2.293 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.531 2.503 12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.532 1.499 14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.749 0.668 13.764 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.123 2.565 13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.769 3.676 13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.145 3.391 15.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.457 3.558 15.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.166 2.021 15.985 1.00 0.00 H new ATOM 499 N LEU A 32 2.449 -2.084 12.482 1.00 0.00 N ATOM 500 CA LEU A 32 1.279 -2.753 11.784 1.00 0.00 C ATOM 501 C LEU A 32 -0.015 -1.954 12.011 1.00 0.00 C ATOM 502 O LEU A 32 -0.842 -1.860 11.130 1.00 0.00 O ATOM 503 CB LEU A 32 1.151 -4.150 12.400 1.00 0.00 C ATOM 504 CG LEU A 32 2.054 -5.116 11.618 1.00 0.00 C ATOM 505 CD1 LEU A 32 2.896 -5.951 12.587 1.00 0.00 C ATOM 506 CD2 LEU A 32 1.194 -6.034 10.732 1.00 0.00 C ATOM 0 H LEU A 32 3.050 -2.711 13.017 1.00 0.00 H new ATOM 0 HA LEU A 32 1.443 -2.805 10.708 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.441 -4.128 13.451 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.115 -4.486 12.362 1.00 0.00 H new ATOM 0 HG LEU A 32 2.725 -4.539 10.982 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.532 -6.632 12.022 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.518 -5.290 13.191 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.238 -6.526 13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.840 -6.717 10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.511 -6.608 11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.621 -5.429 10.029 1.00 0.00 H new ATOM 518 N GLU A 33 -0.176 -1.343 13.169 1.00 0.00 N ATOM 519 CA GLU A 33 -1.410 -0.513 13.390 1.00 0.00 C ATOM 520 C GLU A 33 -1.303 0.740 12.506 1.00 0.00 C ATOM 521 O GLU A 33 -2.250 1.122 11.845 1.00 0.00 O ATOM 522 CB GLU A 33 -1.436 -0.129 14.878 1.00 0.00 C ATOM 523 CG GLU A 33 -1.941 -1.315 15.703 1.00 0.00 C ATOM 524 CD GLU A 33 -3.467 -1.375 15.630 1.00 0.00 C ATOM 525 OE1 GLU A 33 -3.979 -1.683 14.566 1.00 0.00 O ATOM 526 OE2 GLU A 33 -4.099 -1.111 16.641 1.00 0.00 O ATOM 0 H GLU A 33 0.477 -1.381 13.952 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.323 -1.049 13.133 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.438 0.158 15.208 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.083 0.735 15.030 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.512 -2.243 15.326 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.620 -1.213 16.740 1.00 0.00 H new ATOM 533 N GLN A 34 -0.137 1.360 12.460 1.00 0.00 N ATOM 534 CA GLN A 34 0.037 2.568 11.576 1.00 0.00 C ATOM 535 C GLN A 34 -0.024 2.165 10.090 1.00 0.00 C ATOM 536 O GLN A 34 -0.276 2.999 9.240 1.00 0.00 O ATOM 537 CB GLN A 34 1.418 3.161 11.903 1.00 0.00 C ATOM 538 CG GLN A 34 1.304 4.090 13.115 1.00 0.00 C ATOM 539 CD GLN A 34 2.248 5.286 12.937 1.00 0.00 C ATOM 540 OE1 GLN A 34 3.440 5.162 13.138 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.770 6.447 12.565 1.00 0.00 N ATOM 0 H GLN A 34 0.691 1.085 12.989 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.758 3.293 11.753 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.129 2.361 12.111 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.801 3.712 11.044 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.277 4.438 13.224 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.555 3.548 14.027 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.770 6.556 12.395 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.397 7.242 12.445 1.00 0.00 H new ATOM 550 N VAL A 35 0.213 0.907 9.756 1.00 0.00 N ATOM 551 CA VAL A 35 0.170 0.503 8.311 1.00 0.00 C ATOM 552 C VAL A 35 -1.160 -0.204 7.980 1.00 0.00 C ATOM 553 O VAL A 35 -1.704 -0.018 6.907 1.00 0.00 O ATOM 554 CB VAL A 35 1.355 -0.471 8.052 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.811 -0.316 6.601 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.566 -0.207 8.982 1.00 0.00 C ATOM 0 H VAL A 35 0.430 0.158 10.413 1.00 0.00 H new ATOM 0 HA VAL A 35 0.248 1.388 7.680 1.00 0.00 H new ATOM 0 HB VAL A 35 0.998 -1.480 8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.642 -0.994 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.984 -0.554 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.133 0.711 6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.361 -0.917 8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.930 0.808 8.825 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.259 -0.326 10.021 1.00 0.00 H new ATOM 566 N GLU A 36 -1.688 -1.017 8.875 1.00 0.00 N ATOM 567 CA GLU A 36 -2.983 -1.729 8.569 1.00 0.00 C ATOM 568 C GLU A 36 -4.176 -0.754 8.573 1.00 0.00 C ATOM 569 O GLU A 36 -5.161 -0.993 7.898 1.00 0.00 O ATOM 570 CB GLU A 36 -3.179 -2.786 9.669 1.00 0.00 C ATOM 571 CG GLU A 36 -4.040 -3.931 9.129 1.00 0.00 C ATOM 572 CD GLU A 36 -5.511 -3.656 9.444 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.797 -3.283 10.570 1.00 0.00 O ATOM 574 OE2 GLU A 36 -6.328 -3.820 8.553 1.00 0.00 O ATOM 0 H GLU A 36 -1.286 -1.217 9.791 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.936 -2.179 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.212 -3.168 9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.657 -2.336 10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.900 -4.029 8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.731 -4.875 9.578 1.00 0.00 H new ATOM 581 N LYS A 37 -4.117 0.328 9.328 1.00 0.00 N ATOM 582 CA LYS A 37 -5.286 1.274 9.352 1.00 0.00 C ATOM 583 C LYS A 37 -5.167 2.329 8.249 1.00 0.00 C ATOM 584 O LYS A 37 -6.168 2.724 7.676 1.00 0.00 O ATOM 585 CB LYS A 37 -5.283 1.938 10.736 1.00 0.00 C ATOM 586 CG LYS A 37 -6.723 2.187 11.185 1.00 0.00 C ATOM 587 CD LYS A 37 -6.787 3.474 12.012 1.00 0.00 C ATOM 588 CE LYS A 37 -6.733 4.685 11.077 1.00 0.00 C ATOM 589 NZ LYS A 37 -6.862 5.868 11.973 1.00 0.00 N ATOM 0 H LYS A 37 -3.326 0.591 9.916 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.218 0.738 9.172 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.771 1.300 11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.735 2.879 10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.377 2.268 10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.081 1.344 11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.705 3.496 12.600 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.956 3.508 12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.797 4.712 10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.540 4.655 10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.834 6.739 11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.766 5.818 12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.077 5.874 12.655 1.00 0.00 H new ATOM 603 N GLU A 38 -3.975 2.787 7.920 1.00 0.00 N ATOM 604 CA GLU A 38 -3.876 3.807 6.824 1.00 0.00 C ATOM 605 C GLU A 38 -4.076 3.107 5.472 1.00 0.00 C ATOM 606 O GLU A 38 -4.726 3.638 4.591 1.00 0.00 O ATOM 607 CB GLU A 38 -2.488 4.443 6.925 1.00 0.00 C ATOM 608 CG GLU A 38 -2.553 5.644 7.871 1.00 0.00 C ATOM 609 CD GLU A 38 -2.620 5.155 9.318 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.659 4.642 9.703 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.633 5.301 10.020 1.00 0.00 O ATOM 0 H GLU A 38 -3.093 2.508 8.349 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.639 4.580 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.766 3.714 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.147 4.759 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.677 6.278 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.427 6.253 7.642 1.00 0.00 H new ATOM 618 N LEU A 39 -3.553 1.903 5.302 1.00 0.00 N ATOM 619 CA LEU A 39 -3.764 1.175 3.993 1.00 0.00 C ATOM 620 C LEU A 39 -5.270 1.095 3.682 1.00 0.00 C ATOM 621 O LEU A 39 -5.672 1.199 2.538 1.00 0.00 O ATOM 622 CB LEU A 39 -3.188 -0.244 4.161 1.00 0.00 C ATOM 623 CG LEU A 39 -1.815 -0.322 3.493 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.785 0.419 4.347 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.400 -1.788 3.354 1.00 0.00 C ATOM 0 H LEU A 39 -3.000 1.401 5.997 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.271 1.697 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.103 -0.490 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.862 -0.976 3.716 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.866 0.139 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.193 0.362 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.079 1.464 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.733 -0.040 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.421 -1.845 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.351 -2.247 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.132 -2.317 2.744 1.00 0.00 H new ATOM 637 N LEU A 40 -6.111 0.924 4.690 1.00 0.00 N ATOM 638 CA LEU A 40 -7.595 0.857 4.418 1.00 0.00 C ATOM 639 C LEU A 40 -8.057 2.124 3.672 1.00 0.00 C ATOM 640 O LEU A 40 -8.943 2.064 2.840 1.00 0.00 O ATOM 641 CB LEU A 40 -8.294 0.763 5.784 1.00 0.00 C ATOM 642 CG LEU A 40 -9.692 0.169 5.604 1.00 0.00 C ATOM 643 CD1 LEU A 40 -10.055 -0.665 6.833 1.00 0.00 C ATOM 644 CD2 LEU A 40 -10.708 1.301 5.439 1.00 0.00 C ATOM 0 H LEU A 40 -5.841 0.830 5.669 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.839 -0.003 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.708 0.142 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.363 1.752 6.237 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.706 -0.466 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.051 -1.088 6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.331 -1.471 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.042 -0.031 7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.705 0.879 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.694 1.935 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.450 1.896 4.563 1.00 0.00 H new ATOM 656 N ARG A 41 -7.468 3.274 3.958 1.00 0.00 N ATOM 657 CA ARG A 41 -7.898 4.532 3.242 1.00 0.00 C ATOM 658 C ARG A 41 -7.717 4.363 1.725 1.00 0.00 C ATOM 659 O ARG A 41 -8.558 4.781 0.952 1.00 0.00 O ATOM 660 CB ARG A 41 -6.996 5.667 3.757 1.00 0.00 C ATOM 661 CG ARG A 41 -7.450 6.087 5.156 1.00 0.00 C ATOM 662 CD ARG A 41 -8.476 7.216 5.043 1.00 0.00 C ATOM 663 NE ARG A 41 -8.919 7.474 6.441 1.00 0.00 N ATOM 664 CZ ARG A 41 -8.786 8.664 6.960 1.00 0.00 C ATOM 665 NH1 ARG A 41 -9.496 9.659 6.502 1.00 0.00 N ATOM 666 NH2 ARG A 41 -7.941 8.860 7.936 1.00 0.00 N ATOM 0 H ARG A 41 -6.722 3.394 4.643 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.949 4.750 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.958 5.336 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.042 6.518 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.886 5.236 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.594 6.417 5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.035 8.108 4.598 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.315 6.926 4.410 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.327 6.720 6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.155 9.506 5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.392 10.589 6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.385 8.083 8.293 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.837 9.790 8.342 1.00 0.00 H new ATOM 680 N VAL A 42 -6.633 3.746 1.289 1.00 0.00 N ATOM 681 CA VAL A 42 -6.432 3.555 -0.193 1.00 0.00 C ATOM 682 C VAL A 42 -7.607 2.741 -0.775 1.00 0.00 C ATOM 683 O VAL A 42 -8.057 3.004 -1.874 1.00 0.00 O ATOM 684 CB VAL A 42 -5.098 2.799 -0.361 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.859 2.470 -1.839 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.953 3.680 0.149 1.00 0.00 C ATOM 0 H VAL A 42 -5.892 3.373 1.883 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.400 4.507 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.140 1.871 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.914 1.936 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.672 1.845 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.820 3.394 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.007 3.151 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.923 4.606 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.113 3.911 1.202 1.00 0.00 H new ATOM 696 N GLY A 43 -8.111 1.763 -0.046 1.00 0.00 N ATOM 697 CA GLY A 43 -9.255 0.958 -0.566 1.00 0.00 C ATOM 698 C GLY A 43 -10.485 1.865 -0.707 1.00 0.00 C ATOM 699 O GLY A 43 -11.151 1.855 -1.725 1.00 0.00 O ATOM 0 H GLY A 43 -7.777 1.495 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.999 0.520 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.472 0.132 0.112 1.00 0.00 H new ATOM 703 N GLN A 44 -10.793 2.660 0.303 1.00 0.00 N ATOM 704 CA GLN A 44 -11.991 3.574 0.197 1.00 0.00 C ATOM 705 C GLN A 44 -11.828 4.502 -1.020 1.00 0.00 C ATOM 706 O GLN A 44 -12.778 4.757 -1.738 1.00 0.00 O ATOM 707 CB GLN A 44 -12.036 4.404 1.491 1.00 0.00 C ATOM 708 CG GLN A 44 -13.334 5.211 1.535 1.00 0.00 C ATOM 709 CD GLN A 44 -13.490 5.855 2.919 1.00 0.00 C ATOM 710 OE1 GLN A 44 -13.749 5.171 3.889 1.00 0.00 O ATOM 711 NE2 GLN A 44 -13.344 7.151 3.058 1.00 0.00 N ATOM 0 H GLN A 44 -10.277 2.716 1.181 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.912 3.005 0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.974 3.748 2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.177 5.074 1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.322 5.981 0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.185 4.563 1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.126 7.730 2.247 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.448 7.580 3.977 1.00 0.00 H new ATOM 720 N ILE A 45 -10.631 5.000 -1.266 1.00 0.00 N ATOM 721 CA ILE A 45 -10.422 5.903 -2.460 1.00 0.00 C ATOM 722 C ILE A 45 -10.834 5.158 -3.739 1.00 0.00 C ATOM 723 O ILE A 45 -11.463 5.730 -4.611 1.00 0.00 O ATOM 724 CB ILE A 45 -8.917 6.260 -2.473 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.595 7.111 -1.240 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.545 7.054 -3.734 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.139 6.888 -0.821 1.00 0.00 C ATOM 0 H ILE A 45 -9.799 4.825 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.025 6.809 -2.406 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.344 5.333 -2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.762 8.165 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.263 6.847 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.481 7.290 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.768 6.457 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.121 7.979 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.916 7.496 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.986 5.836 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.477 7.174 -1.639 1.00 0.00 H new ATOM 739 N LEU A 46 -10.510 3.886 -3.852 1.00 0.00 N ATOM 740 CA LEU A 46 -10.928 3.136 -5.083 1.00 0.00 C ATOM 741 C LEU A 46 -12.414 2.748 -4.994 1.00 0.00 C ATOM 742 O LEU A 46 -13.072 2.610 -6.007 1.00 0.00 O ATOM 743 CB LEU A 46 -10.048 1.881 -5.174 1.00 0.00 C ATOM 744 CG LEU A 46 -10.180 1.271 -6.574 1.00 0.00 C ATOM 745 CD1 LEU A 46 -9.695 2.272 -7.630 1.00 0.00 C ATOM 746 CD2 LEU A 46 -9.332 0.001 -6.653 1.00 0.00 C ATOM 0 H LEU A 46 -9.987 3.347 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.804 3.755 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.008 2.137 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.350 1.155 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.226 1.030 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.792 1.830 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.298 3.179 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.650 2.519 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.423 -0.436 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.288 0.248 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.679 -0.715 -5.909 1.00 0.00 H new ATOM 758 N LYS A 47 -12.967 2.604 -3.799 1.00 0.00 N ATOM 759 CA LYS A 47 -14.426 2.269 -3.700 1.00 0.00 C ATOM 760 C LYS A 47 -15.232 3.515 -4.080 1.00 0.00 C ATOM 761 O LYS A 47 -16.284 3.414 -4.683 1.00 0.00 O ATOM 762 CB LYS A 47 -14.703 1.879 -2.239 1.00 0.00 C ATOM 763 CG LYS A 47 -14.412 0.391 -2.040 1.00 0.00 C ATOM 764 CD LYS A 47 -14.533 0.041 -0.554 1.00 0.00 C ATOM 765 CE LYS A 47 -13.143 0.018 0.086 1.00 0.00 C ATOM 766 NZ LYS A 47 -13.376 -0.398 1.496 1.00 0.00 N ATOM 0 H LYS A 47 -12.477 2.703 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.704 1.451 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -14.082 2.474 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.741 2.094 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.111 -0.208 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.411 0.154 -2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.164 0.772 -0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.014 -0.930 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.483 -0.681 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.669 0.998 0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.468 -0.437 2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.002 0.290 1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.821 -1.338 1.512 1.00 0.00 H new ATOM 780 N GLU A 48 -14.746 4.702 -3.741 1.00 0.00 N ATOM 781 CA GLU A 48 -15.505 5.951 -4.106 1.00 0.00 C ATOM 782 C GLU A 48 -15.822 5.955 -5.617 1.00 0.00 C ATOM 783 O GLU A 48 -14.947 5.696 -6.416 1.00 0.00 O ATOM 784 CB GLU A 48 -14.583 7.130 -3.760 1.00 0.00 C ATOM 785 CG GLU A 48 -14.828 7.565 -2.313 1.00 0.00 C ATOM 786 CD GLU A 48 -15.839 8.713 -2.287 1.00 0.00 C ATOM 787 OE1 GLU A 48 -16.929 8.528 -2.803 1.00 0.00 O ATOM 788 OE2 GLU A 48 -15.506 9.757 -1.751 1.00 0.00 O ATOM 0 H GLU A 48 -13.872 4.854 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.451 6.013 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.540 6.841 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.771 7.963 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.202 6.725 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.891 7.881 -1.854 1.00 0.00 H new ATOM 795 N PRO A 49 -17.060 6.234 -5.971 1.00 0.00 N ATOM 796 CA PRO A 49 -17.444 6.244 -7.409 1.00 0.00 C ATOM 797 C PRO A 49 -16.836 7.451 -8.147 1.00 0.00 C ATOM 798 O PRO A 49 -16.480 7.346 -9.306 1.00 0.00 O ATOM 799 CB PRO A 49 -18.966 6.339 -7.376 1.00 0.00 C ATOM 800 CG PRO A 49 -19.282 6.976 -6.064 1.00 0.00 C ATOM 801 CD PRO A 49 -18.200 6.565 -5.101 1.00 0.00 C ATOM 0 HA PRO A 49 -17.083 5.364 -7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.343 6.936 -8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.425 5.354 -7.458 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.319 8.061 -6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.260 6.654 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.954 7.370 -4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.505 5.709 -4.499 1.00 0.00 H new ATOM 809 N LYS A 50 -16.690 8.587 -7.492 1.00 0.00 N ATOM 810 CA LYS A 50 -16.076 9.771 -8.190 1.00 0.00 C ATOM 811 C LYS A 50 -14.548 9.601 -8.214 1.00 0.00 C ATOM 812 O LYS A 50 -13.894 9.976 -9.170 1.00 0.00 O ATOM 813 CB LYS A 50 -16.464 11.016 -7.378 1.00 0.00 C ATOM 814 CG LYS A 50 -17.883 11.449 -7.752 1.00 0.00 C ATOM 815 CD LYS A 50 -18.171 12.827 -7.152 1.00 0.00 C ATOM 816 CE LYS A 50 -19.581 13.273 -7.549 1.00 0.00 C ATOM 817 NZ LYS A 50 -20.492 12.508 -6.653 1.00 0.00 N ATOM 0 H LYS A 50 -16.964 8.744 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.427 9.862 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.408 10.799 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.761 11.826 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.990 11.483 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.606 10.722 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.083 12.788 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.436 13.550 -7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.707 14.348 -7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.784 13.055 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.787 11.630 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.995 12.275 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.331 13.084 -6.437 1.00 0.00 H new ATOM 831 N MET A 51 -13.977 9.024 -7.176 1.00 0.00 N ATOM 832 CA MET A 51 -12.492 8.814 -7.153 1.00 0.00 C ATOM 833 C MET A 51 -12.119 7.510 -7.888 1.00 0.00 C ATOM 834 O MET A 51 -11.045 7.410 -8.453 1.00 0.00 O ATOM 835 CB MET A 51 -12.110 8.732 -5.669 1.00 0.00 C ATOM 836 CG MET A 51 -10.593 8.693 -5.521 1.00 0.00 C ATOM 837 SD MET A 51 -9.873 10.252 -6.098 1.00 0.00 S ATOM 838 CE MET A 51 -8.676 9.534 -7.250 1.00 0.00 C ATOM 0 H MET A 51 -14.474 8.692 -6.350 1.00 0.00 H new ATOM 0 HA MET A 51 -11.961 9.621 -7.658 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.514 9.591 -5.133 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.550 7.841 -5.221 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.326 8.524 -4.478 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.185 7.860 -6.094 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.421 10.268 -8.014 1.00 0.00 H new ATOM 0 HE2 MET A 51 -7.775 9.248 -6.707 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.110 8.653 -7.723 1.00 0.00 H new ATOM 848 N ALA A 52 -12.987 6.509 -7.896 1.00 0.00 N ATOM 849 CA ALA A 52 -12.643 5.227 -8.618 1.00 0.00 C ATOM 850 C ALA A 52 -12.326 5.519 -10.095 1.00 0.00 C ATOM 851 O ALA A 52 -11.414 4.946 -10.660 1.00 0.00 O ATOM 852 CB ALA A 52 -13.882 4.320 -8.521 1.00 0.00 C ATOM 0 H ALA A 52 -13.901 6.524 -7.443 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.768 4.752 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.683 3.377 -9.030 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.110 4.126 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.732 4.814 -8.991 1.00 0.00 H new ATOM 858 N ALA A 53 -13.073 6.405 -10.723 1.00 0.00 N ATOM 859 CA ALA A 53 -12.799 6.719 -12.173 1.00 0.00 C ATOM 860 C ALA A 53 -11.368 7.261 -12.360 1.00 0.00 C ATOM 861 O ALA A 53 -10.784 7.087 -13.412 1.00 0.00 O ATOM 862 CB ALA A 53 -13.822 7.788 -12.594 1.00 0.00 C ATOM 0 H ALA A 53 -13.849 6.918 -10.304 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.887 5.819 -12.781 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.665 8.050 -13.640 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.831 7.396 -12.466 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.696 8.676 -11.974 1.00 0.00 H new ATOM 868 N SER A 54 -10.799 7.923 -11.368 1.00 0.00 N ATOM 869 CA SER A 54 -9.407 8.469 -11.539 1.00 0.00 C ATOM 870 C SER A 54 -8.363 7.547 -10.890 1.00 0.00 C ATOM 871 O SER A 54 -7.291 7.354 -11.434 1.00 0.00 O ATOM 872 CB SER A 54 -9.407 9.835 -10.844 1.00 0.00 C ATOM 873 OG SER A 54 -10.440 10.643 -11.393 1.00 0.00 O ATOM 0 H SER A 54 -11.232 8.105 -10.463 1.00 0.00 H new ATOM 0 HA SER A 54 -9.145 8.545 -12.594 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.559 9.710 -9.772 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.441 10.322 -10.975 1.00 0.00 H new ATOM 0 HG SER A 54 -10.443 11.517 -10.949 1.00 0.00 H new ATOM 879 N LEU A 55 -8.650 6.980 -9.734 1.00 0.00 N ATOM 880 CA LEU A 55 -7.634 6.077 -9.077 1.00 0.00 C ATOM 881 C LEU A 55 -7.239 4.929 -10.024 1.00 0.00 C ATOM 882 O LEU A 55 -6.110 4.476 -10.007 1.00 0.00 O ATOM 883 CB LEU A 55 -8.288 5.513 -7.806 1.00 0.00 C ATOM 884 CG LEU A 55 -7.211 5.259 -6.749 1.00 0.00 C ATOM 885 CD1 LEU A 55 -6.600 6.592 -6.310 1.00 0.00 C ATOM 886 CD2 LEU A 55 -7.837 4.562 -5.538 1.00 0.00 C ATOM 0 H LEU A 55 -9.525 7.099 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.727 6.631 -8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.030 6.214 -7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.814 4.586 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.432 4.624 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.833 6.410 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.153 7.088 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.379 7.228 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.070 4.381 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.617 5.196 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.271 3.612 -5.849 1.00 0.00 H new ATOM 898 N LEU A 56 -8.153 4.449 -10.847 1.00 0.00 N ATOM 899 CA LEU A 56 -7.805 3.333 -11.777 1.00 0.00 C ATOM 900 C LEU A 56 -8.016 3.758 -13.240 1.00 0.00 C ATOM 901 O LEU A 56 -8.487 2.980 -14.045 1.00 0.00 O ATOM 902 CB LEU A 56 -8.765 2.199 -11.406 1.00 0.00 C ATOM 903 CG LEU A 56 -8.429 0.936 -12.223 1.00 0.00 C ATOM 904 CD1 LEU A 56 -8.241 -0.256 -11.279 1.00 0.00 C ATOM 905 CD2 LEU A 56 -9.570 0.630 -13.200 1.00 0.00 C ATOM 0 H LEU A 56 -9.115 4.783 -10.909 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.760 3.036 -11.686 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.691 1.983 -10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.793 2.504 -11.599 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.509 1.109 -12.781 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.004 -1.147 -11.861 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.426 -0.047 -10.587 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.160 -0.424 -10.717 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.327 -0.264 -13.775 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.492 0.463 -12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.704 1.473 -13.879 1.00 0.00 H new ATOM 917 N ASN A 57 -7.669 4.979 -13.601 1.00 0.00 N ATOM 918 CA ASN A 57 -7.859 5.405 -15.017 1.00 0.00 C ATOM 919 C ASN A 57 -6.527 5.326 -15.778 1.00 0.00 C ATOM 920 O ASN A 57 -5.591 6.022 -15.435 1.00 0.00 O ATOM 921 CB ASN A 57 -8.349 6.861 -14.954 1.00 0.00 C ATOM 922 CG ASN A 57 -9.570 7.039 -15.869 1.00 0.00 C ATOM 923 OD1 ASN A 57 -10.507 6.268 -15.799 1.00 0.00 O ATOM 924 ND2 ASN A 57 -9.603 8.025 -16.730 1.00 0.00 N ATOM 0 H ASN A 57 -7.269 5.683 -12.981 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.570 4.764 -15.538 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.610 7.122 -13.929 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.551 7.537 -15.262 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.413 8.144 -17.339 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.819 8.674 -16.792 1.00 0.00 H new ATOM 931 N PRO A 58 -6.483 4.515 -16.820 1.00 0.00 N ATOM 932 CA PRO A 58 -5.246 4.423 -17.638 1.00 0.00 C ATOM 933 C PRO A 58 -5.053 5.706 -18.487 1.00 0.00 C ATOM 934 O PRO A 58 -4.014 5.896 -19.088 1.00 0.00 O ATOM 935 CB PRO A 58 -5.493 3.212 -18.535 1.00 0.00 C ATOM 936 CG PRO A 58 -6.980 3.094 -18.624 1.00 0.00 C ATOM 937 CD PRO A 58 -7.541 3.627 -17.333 1.00 0.00 C ATOM 0 HA PRO A 58 -4.345 4.323 -17.033 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.049 3.353 -19.520 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -5.050 2.310 -18.112 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.362 3.660 -19.473 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.276 2.056 -18.774 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.472 4.170 -17.497 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.761 2.822 -16.632 1.00 0.00 H new ATOM 945 N TYR A 59 -6.041 6.588 -18.541 1.00 0.00 N ATOM 946 CA TYR A 59 -5.899 7.844 -19.350 1.00 0.00 C ATOM 947 C TYR A 59 -5.235 8.984 -18.544 1.00 0.00 C ATOM 948 O TYR A 59 -5.132 10.092 -19.038 1.00 0.00 O ATOM 949 CB TYR A 59 -7.338 8.230 -19.714 1.00 0.00 C ATOM 950 CG TYR A 59 -7.916 7.163 -20.614 1.00 0.00 C ATOM 951 CD1 TYR A 59 -7.757 7.258 -22.001 1.00 0.00 C ATOM 952 CD2 TYR A 59 -8.597 6.070 -20.060 1.00 0.00 C ATOM 953 CE1 TYR A 59 -8.278 6.261 -22.835 1.00 0.00 C ATOM 954 CE2 TYR A 59 -9.119 5.076 -20.893 1.00 0.00 C ATOM 955 CZ TYR A 59 -8.960 5.171 -22.281 1.00 0.00 C ATOM 956 OH TYR A 59 -9.474 4.188 -23.103 1.00 0.00 O ATOM 0 H TYR A 59 -6.934 6.486 -18.059 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.262 7.683 -20.219 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.941 8.330 -18.812 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.354 9.197 -20.217 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.233 8.100 -22.428 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.718 5.996 -18.989 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.154 6.333 -23.905 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.645 4.235 -20.466 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.916 3.504 -22.558 1.00 0.00 H new ATOM 966 N VAL A 60 -4.782 8.747 -17.322 1.00 0.00 N ATOM 967 CA VAL A 60 -4.137 9.858 -16.546 1.00 0.00 C ATOM 968 C VAL A 60 -2.610 9.674 -16.535 1.00 0.00 C ATOM 969 O VAL A 60 -1.960 9.897 -15.531 1.00 0.00 O ATOM 970 CB VAL A 60 -4.707 9.764 -15.123 1.00 0.00 C ATOM 971 CG1 VAL A 60 -4.160 10.914 -14.274 1.00 0.00 C ATOM 972 CG2 VAL A 60 -6.235 9.861 -15.172 1.00 0.00 C ATOM 0 H VAL A 60 -4.832 7.848 -16.842 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.340 10.834 -16.987 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.414 8.811 -14.683 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.565 10.846 -13.265 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.073 10.851 -14.233 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.452 11.865 -14.719 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.636 9.794 -14.161 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.525 10.814 -15.615 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.632 9.044 -15.775 1.00 0.00 H new ATOM 982 N LYS A 61 -2.023 9.271 -17.650 1.00 0.00 N ATOM 983 CA LYS A 61 -0.535 9.080 -17.704 1.00 0.00 C ATOM 984 C LYS A 61 -0.052 8.189 -16.543 1.00 0.00 C ATOM 985 O LYS A 61 -0.848 7.682 -15.775 1.00 0.00 O ATOM 986 CB LYS A 61 0.055 10.488 -17.583 1.00 0.00 C ATOM 987 CG LYS A 61 -0.095 11.220 -18.918 1.00 0.00 C ATOM 988 CD LYS A 61 -0.089 12.731 -18.674 1.00 0.00 C ATOM 989 CE LYS A 61 -0.522 13.456 -19.951 1.00 0.00 C ATOM 990 NZ LYS A 61 0.203 14.757 -19.918 1.00 0.00 N ATOM 0 H LYS A 61 -2.514 9.068 -18.521 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.225 8.584 -18.624 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.454 11.041 -16.794 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.107 10.430 -17.304 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.719 10.946 -19.589 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.024 10.923 -19.406 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.763 12.981 -17.855 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.907 13.058 -18.377 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.261 12.881 -20.839 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.601 13.606 -19.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.042 15.313 -20.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.070 15.285 -19.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.228 14.583 -19.904 1.00 0.00 H new ATOM 1004 N ARG A 62 1.246 7.998 -16.407 1.00 0.00 N ATOM 1005 CA ARG A 62 1.764 7.144 -15.292 1.00 0.00 C ATOM 1006 C ARG A 62 2.458 8.020 -14.235 1.00 0.00 C ATOM 1007 O ARG A 62 2.134 7.952 -13.064 1.00 0.00 O ATOM 1008 CB ARG A 62 2.767 6.186 -15.942 1.00 0.00 C ATOM 1009 CG ARG A 62 3.145 5.081 -14.949 1.00 0.00 C ATOM 1010 CD ARG A 62 4.489 5.413 -14.296 1.00 0.00 C ATOM 1011 NE ARG A 62 5.514 4.857 -15.223 1.00 0.00 N ATOM 1012 CZ ARG A 62 6.166 3.774 -14.901 1.00 0.00 C ATOM 1013 NH1 ARG A 62 5.523 2.653 -14.721 1.00 0.00 N ATOM 1014 NH2 ARG A 62 7.464 3.811 -14.760 1.00 0.00 N ATOM 0 H ARG A 62 1.960 8.395 -17.017 1.00 0.00 H new ATOM 0 HA ARG A 62 0.965 6.603 -14.785 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.335 5.748 -16.842 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.659 6.732 -16.250 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.373 4.985 -14.186 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.206 4.122 -15.463 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.612 6.489 -14.170 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.568 4.965 -13.305 1.00 0.00 H new ATOM 0 HE ARG A 62 5.706 5.323 -16.110 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.510 2.623 -14.832 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.034 1.807 -14.469 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.968 4.687 -14.902 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.974 2.964 -14.508 1.00 0.00 H new ATOM 1028 N SER A 63 3.407 8.845 -14.634 1.00 0.00 N ATOM 1029 CA SER A 63 4.102 9.722 -13.623 1.00 0.00 C ATOM 1030 C SER A 63 3.105 10.731 -13.031 1.00 0.00 C ATOM 1031 O SER A 63 3.132 11.004 -11.846 1.00 0.00 O ATOM 1032 CB SER A 63 5.223 10.461 -14.370 1.00 0.00 C ATOM 1033 OG SER A 63 6.396 9.658 -14.368 1.00 0.00 O ATOM 0 H SER A 63 3.726 8.949 -15.597 1.00 0.00 H new ATOM 0 HA SER A 63 4.506 9.130 -12.802 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.915 10.673 -15.394 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.424 11.420 -13.892 1.00 0.00 H new ATOM 0 HG SER A 63 7.113 10.125 -14.845 1.00 0.00 H new ATOM 1039 N VAL A 64 2.222 11.286 -13.840 1.00 0.00 N ATOM 1040 CA VAL A 64 1.228 12.275 -13.286 1.00 0.00 C ATOM 1041 C VAL A 64 0.326 11.577 -12.254 1.00 0.00 C ATOM 1042 O VAL A 64 0.014 12.142 -11.221 1.00 0.00 O ATOM 1043 CB VAL A 64 0.390 12.784 -14.474 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -0.638 13.806 -13.982 1.00 0.00 C ATOM 1045 CG2 VAL A 64 1.310 13.450 -15.500 1.00 0.00 C ATOM 0 H VAL A 64 2.146 11.102 -14.840 1.00 0.00 H new ATOM 0 HA VAL A 64 1.730 13.105 -12.788 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.126 11.942 -14.935 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.228 14.163 -14.826 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.297 13.337 -13.251 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.122 14.647 -13.518 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.717 13.810 -16.341 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.827 14.289 -15.035 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.042 12.726 -15.856 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.094 10.353 -12.517 1.00 0.00 N ATOM 1056 CA LYS A 65 -0.977 9.640 -11.523 1.00 0.00 C ATOM 1057 C LYS A 65 -0.249 9.508 -10.175 1.00 0.00 C ATOM 1058 O LYS A 65 -0.847 9.678 -9.129 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.268 8.246 -12.104 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.241 7.502 -11.188 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.666 8.007 -11.435 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.018 9.081 -10.401 1.00 0.00 C ATOM 1063 NZ LYS A 65 -4.743 10.131 -11.168 1.00 0.00 N ATOM 0 H LYS A 65 0.131 9.825 -13.360 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.901 10.192 -11.353 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.692 8.339 -13.104 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.341 7.681 -12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.186 6.430 -11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.965 7.657 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.748 8.417 -12.442 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.372 7.179 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.641 8.673 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.122 9.484 -9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.475 10.559 -10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.072 10.865 -11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.190 9.704 -12.004 1.00 0.00 H new ATOM 1077 N VAL A 66 1.038 9.217 -10.186 1.00 0.00 N ATOM 1078 CA VAL A 66 1.781 9.092 -8.881 1.00 0.00 C ATOM 1079 C VAL A 66 1.798 10.456 -8.171 1.00 0.00 C ATOM 1080 O VAL A 66 1.616 10.533 -6.970 1.00 0.00 O ATOM 1081 CB VAL A 66 3.215 8.646 -9.220 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.020 8.478 -7.930 1.00 0.00 C ATOM 1083 CG2 VAL A 66 3.168 7.309 -9.964 1.00 0.00 C ATOM 0 H VAL A 66 1.597 9.063 -11.025 1.00 0.00 H new ATOM 0 HA VAL A 66 1.304 8.370 -8.218 1.00 0.00 H new ATOM 0 HB VAL A 66 3.689 9.400 -9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.035 8.162 -8.173 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.053 9.428 -7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.546 7.724 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.182 6.991 -10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.693 6.558 -9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.596 7.425 -10.884 1.00 0.00 H new ATOM 1093 N LYS A 67 2.009 11.535 -8.902 1.00 0.00 N ATOM 1094 CA LYS A 67 2.025 12.891 -8.240 1.00 0.00 C ATOM 1095 C LYS A 67 0.667 13.161 -7.571 1.00 0.00 C ATOM 1096 O LYS A 67 0.611 13.714 -6.489 1.00 0.00 O ATOM 1097 CB LYS A 67 2.283 13.925 -9.349 1.00 0.00 C ATOM 1098 CG LYS A 67 3.775 13.949 -9.688 1.00 0.00 C ATOM 1099 CD LYS A 67 3.970 14.529 -11.090 1.00 0.00 C ATOM 1100 CE LYS A 67 5.449 14.449 -11.474 1.00 0.00 C ATOM 1101 NZ LYS A 67 6.070 15.659 -10.865 1.00 0.00 N ATOM 0 H LYS A 67 2.168 11.538 -9.910 1.00 0.00 H new ATOM 0 HA LYS A 67 2.795 12.945 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.702 13.675 -10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.957 14.913 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.316 14.549 -8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.186 12.941 -9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.366 13.978 -11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.632 15.565 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.907 13.536 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.576 14.442 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.076 15.702 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.585 16.511 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.984 15.610 -9.830 1.00 0.00 H new ATOM 1115 N SER A 68 -0.428 12.776 -8.200 1.00 0.00 N ATOM 1116 CA SER A 68 -1.775 13.025 -7.567 1.00 0.00 C ATOM 1117 C SER A 68 -1.857 12.300 -6.215 1.00 0.00 C ATOM 1118 O SER A 68 -2.327 12.859 -5.242 1.00 0.00 O ATOM 1119 CB SER A 68 -2.832 12.465 -8.532 1.00 0.00 C ATOM 1120 OG SER A 68 -3.076 13.414 -9.561 1.00 0.00 O ATOM 0 H SER A 68 -0.450 12.309 -9.107 1.00 0.00 H new ATOM 0 HA SER A 68 -1.936 14.088 -7.389 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.487 11.525 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.755 12.249 -7.994 1.00 0.00 H new ATOM 0 HG SER A 68 -3.748 13.060 -10.180 1.00 0.00 H new ATOM 1126 N LEU A 69 -1.398 11.065 -6.141 1.00 0.00 N ATOM 1127 CA LEU A 69 -1.458 10.332 -4.825 1.00 0.00 C ATOM 1128 C LEU A 69 -0.599 11.072 -3.788 1.00 0.00 C ATOM 1129 O LEU A 69 -1.023 11.282 -2.667 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.897 8.921 -5.073 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.996 8.033 -5.660 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -1.898 8.040 -7.187 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -1.823 6.602 -5.146 1.00 0.00 C ATOM 0 H LEU A 69 -0.993 10.542 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.478 10.278 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.050 8.970 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.529 8.495 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.971 8.414 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.681 7.407 -7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.020 9.059 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.923 7.659 -7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.605 5.968 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.848 6.222 -5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.893 6.595 -4.058 1.00 0.00 H new ATOM 1145 N SER A 70 0.602 11.480 -4.153 1.00 0.00 N ATOM 1146 CA SER A 70 1.470 12.221 -3.167 1.00 0.00 C ATOM 1147 C SER A 70 0.762 13.512 -2.725 1.00 0.00 C ATOM 1148 O SER A 70 0.775 13.859 -1.558 1.00 0.00 O ATOM 1149 CB SER A 70 2.781 12.558 -3.891 1.00 0.00 C ATOM 1150 OG SER A 70 3.731 13.032 -2.946 1.00 0.00 O ATOM 0 H SER A 70 1.014 11.335 -5.075 1.00 0.00 H new ATOM 0 HA SER A 70 1.663 11.619 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.167 11.674 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.603 13.314 -4.656 1.00 0.00 H new ATOM 0 HG SER A 70 4.570 13.247 -3.405 1.00 0.00 H new ATOM 1156 N ASP A 71 0.135 14.223 -3.643 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.582 15.490 -3.243 1.00 0.00 C ATOM 1158 C ASP A 71 -1.782 15.178 -2.326 1.00 0.00 C ATOM 1159 O ASP A 71 -2.221 16.037 -1.581 1.00 0.00 O ATOM 1160 CB ASP A 71 -1.062 16.159 -4.540 1.00 0.00 C ATOM 1161 CG ASP A 71 -1.079 17.677 -4.355 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -1.676 18.130 -3.392 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -0.495 18.363 -5.178 1.00 0.00 O ATOM 0 H ASP A 71 0.088 13.988 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 71 0.085 16.147 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.403 15.890 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.059 15.802 -4.798 1.00 0.00 H new ATOM 1168 N MET A 72 -2.301 13.962 -2.336 1.00 0.00 N ATOM 1169 CA MET A 72 -3.443 13.637 -1.416 1.00 0.00 C ATOM 1170 C MET A 72 -2.839 13.196 -0.082 1.00 0.00 C ATOM 1171 O MET A 72 -3.253 13.635 0.973 1.00 0.00 O ATOM 1172 CB MET A 72 -4.226 12.489 -2.071 1.00 0.00 C ATOM 1173 CG MET A 72 -5.457 12.160 -1.222 1.00 0.00 C ATOM 1174 SD MET A 72 -6.289 10.705 -1.905 1.00 0.00 S ATOM 1175 CE MET A 72 -4.917 9.542 -1.702 1.00 0.00 C ATOM 0 H MET A 72 -1.987 13.196 -2.932 1.00 0.00 H new ATOM 0 HA MET A 72 -4.109 14.482 -1.244 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.531 12.771 -3.079 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.590 11.609 -2.165 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.161 11.972 -0.190 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.140 13.009 -1.208 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.572 9.212 -2.682 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.099 10.033 -1.175 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.253 8.680 -1.126 1.00 0.00 H new ATOM 1185 N THR A 73 -1.823 12.353 -0.128 1.00 0.00 N ATOM 1186 CA THR A 73 -1.145 11.913 1.140 1.00 0.00 C ATOM 1187 C THR A 73 -0.686 13.165 1.931 1.00 0.00 C ATOM 1188 O THR A 73 -0.753 13.188 3.145 1.00 0.00 O ATOM 1189 CB THR A 73 0.052 11.032 0.677 1.00 0.00 C ATOM 1190 OG1 THR A 73 -0.397 9.697 0.498 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.191 11.042 1.695 1.00 0.00 C ATOM 0 H THR A 73 -1.438 11.955 -0.984 1.00 0.00 H new ATOM 0 HA THR A 73 -1.795 11.347 1.808 1.00 0.00 H new ATOM 0 HB THR A 73 0.431 11.443 -0.259 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.352 9.137 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.007 10.415 1.334 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.550 12.062 1.830 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.830 10.655 2.648 1.00 0.00 H new ATOM 1199 N ALA A 74 -0.229 14.209 1.252 1.00 0.00 N ATOM 1200 CA ALA A 74 0.216 15.447 1.997 1.00 0.00 C ATOM 1201 C ALA A 74 -0.926 15.963 2.894 1.00 0.00 C ATOM 1202 O ALA A 74 -0.692 16.405 4.003 1.00 0.00 O ATOM 1203 CB ALA A 74 0.567 16.502 0.934 1.00 0.00 C ATOM 0 H ALA A 74 -0.147 14.256 0.236 1.00 0.00 H new ATOM 0 HA ALA A 74 1.073 15.233 2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.895 17.418 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.367 16.125 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.313 16.712 0.325 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.160 15.896 2.432 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.306 16.372 3.281 1.00 0.00 C ATOM 1211 C LYS A 75 -3.870 15.207 4.118 1.00 0.00 C ATOM 1212 O LYS A 75 -4.321 15.408 5.230 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.372 16.899 2.309 1.00 0.00 C ATOM 1214 CG LYS A 75 -3.843 18.147 1.601 1.00 0.00 C ATOM 1215 CD LYS A 75 -5.013 18.925 0.993 1.00 0.00 C ATOM 1216 CE LYS A 75 -5.759 19.673 2.100 1.00 0.00 C ATOM 1217 NZ LYS A 75 -7.191 19.634 1.692 1.00 0.00 N ATOM 0 H LYS A 75 -2.420 15.536 1.514 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.989 17.148 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.623 16.132 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.288 17.136 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.302 18.777 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.137 17.863 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.646 19.630 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.691 18.242 0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.611 19.195 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.403 20.699 2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.768 20.128 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.302 20.102 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.504 18.645 1.618 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.846 13.988 3.604 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.385 12.827 4.405 1.00 0.00 C ATOM 1233 C GLU A 76 -3.563 12.596 5.691 1.00 0.00 C ATOM 1234 O GLU A 76 -4.029 11.935 6.600 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.296 11.587 3.501 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.362 11.672 2.408 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.700 11.176 2.960 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.011 11.510 4.091 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.390 10.472 2.243 1.00 0.00 O ATOM 0 H GLU A 76 -3.483 13.750 2.681 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.410 13.030 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.305 11.522 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.438 10.682 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.459 12.700 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.066 11.071 1.549 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.343 13.109 5.788 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.521 12.882 7.022 1.00 0.00 C ATOM 1248 C LYS A 77 -1.303 11.374 7.218 1.00 0.00 C ATOM 1249 O LYS A 77 -1.497 10.848 8.297 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.325 13.481 8.191 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.461 14.492 8.951 1.00 0.00 C ATOM 1252 CD LYS A 77 -2.357 15.380 9.816 1.00 0.00 C ATOM 1253 CE LYS A 77 -2.797 16.602 9.008 1.00 0.00 C ATOM 1254 NZ LYS A 77 -3.637 17.399 9.945 1.00 0.00 N ATOM 0 H LYS A 77 -1.891 13.670 5.066 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.539 13.349 6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.224 13.968 7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.651 12.688 8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.736 13.970 9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.895 15.103 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.229 14.819 10.150 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.819 15.696 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.938 17.177 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.362 16.308 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.977 18.256 9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.450 16.829 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.071 17.670 10.774 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.909 10.671 6.170 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.685 9.183 6.300 1.00 0.00 C ATOM 1270 C PHE A 78 0.313 8.879 7.427 1.00 0.00 C ATOM 1271 O PHE A 78 0.713 9.764 8.161 1.00 0.00 O ATOM 1272 CB PHE A 78 -0.145 8.685 4.943 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.278 8.033 4.185 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.963 6.959 4.763 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.656 8.511 2.926 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -3.029 6.361 4.080 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.719 7.910 2.240 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.407 6.834 2.819 1.00 0.00 C ATOM 0 H PHE A 78 -0.735 11.057 5.242 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.616 8.675 6.553 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.264 9.517 4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.667 7.974 5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.670 6.591 5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.129 9.343 2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.560 5.534 4.527 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.009 8.275 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.228 6.371 2.292 1.00 0.00 H new ATOM 1288 N SER A 79 0.715 7.636 7.576 1.00 0.00 N ATOM 1289 CA SER A 79 1.671 7.286 8.660 1.00 0.00 C ATOM 1290 C SER A 79 3.051 7.056 8.054 1.00 0.00 C ATOM 1291 O SER A 79 3.203 7.112 6.848 1.00 0.00 O ATOM 1292 CB SER A 79 1.132 5.989 9.288 1.00 0.00 C ATOM 1293 OG SER A 79 0.144 5.418 8.439 1.00 0.00 O ATOM 0 H SER A 79 0.418 6.855 6.991 1.00 0.00 H new ATOM 0 HA SER A 79 1.763 8.075 9.407 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.947 5.281 9.440 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.705 6.199 10.269 1.00 0.00 H new ATOM 0 HG SER A 79 -0.389 4.771 8.947 1.00 0.00 H new ATOM 1299 N PRO A 80 4.023 6.781 8.893 1.00 0.00 N ATOM 1300 CA PRO A 80 5.385 6.521 8.377 1.00 0.00 C ATOM 1301 C PRO A 80 5.438 5.233 7.534 1.00 0.00 C ATOM 1302 O PRO A 80 6.378 5.037 6.785 1.00 0.00 O ATOM 1303 CB PRO A 80 6.228 6.403 9.636 1.00 0.00 C ATOM 1304 CG PRO A 80 5.270 6.010 10.707 1.00 0.00 C ATOM 1305 CD PRO A 80 3.972 6.684 10.366 1.00 0.00 C ATOM 0 HA PRO A 80 5.737 7.306 7.707 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.014 5.657 9.516 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.718 7.347 9.872 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.150 4.927 10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.628 6.326 11.687 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.114 6.101 10.702 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.893 7.666 10.832 1.00 0.00 H new ATOM 1313 N LEU A 81 4.444 4.362 7.613 1.00 0.00 N ATOM 1314 CA LEU A 81 4.477 3.131 6.774 1.00 0.00 C ATOM 1315 C LEU A 81 3.407 3.212 5.678 1.00 0.00 C ATOM 1316 O LEU A 81 2.952 2.192 5.194 1.00 0.00 O ATOM 1317 CB LEU A 81 4.149 1.978 7.726 1.00 0.00 C ATOM 1318 CG LEU A 81 5.418 1.487 8.443 1.00 0.00 C ATOM 1319 CD1 LEU A 81 6.422 0.953 7.417 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.058 2.636 9.230 1.00 0.00 C ATOM 0 H LEU A 81 3.628 4.458 8.217 1.00 0.00 H new ATOM 0 HA LEU A 81 5.444 3.001 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.413 2.305 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.699 1.156 7.169 1.00 0.00 H new ATOM 0 HG LEU A 81 5.143 0.689 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.319 0.607 7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.975 0.124 6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.688 1.748 6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.955 2.277 9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.324 3.442 8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.351 3.008 9.971 1.00 0.00 H new ATOM 1332 N THR A 82 2.983 4.402 5.279 1.00 0.00 N ATOM 1333 CA THR A 82 1.938 4.484 4.224 1.00 0.00 C ATOM 1334 C THR A 82 2.263 5.552 3.162 1.00 0.00 C ATOM 1335 O THR A 82 1.377 6.015 2.467 1.00 0.00 O ATOM 1336 CB THR A 82 0.634 4.810 4.969 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.737 4.399 6.339 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.524 4.068 4.279 1.00 0.00 C ATOM 0 H THR A 82 3.317 5.296 5.639 1.00 0.00 H new ATOM 0 HA THR A 82 1.866 3.549 3.669 1.00 0.00 H new ATOM 0 HB THR A 82 0.450 5.884 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.153 4.958 6.893 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.458 4.289 4.796 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.598 4.394 3.242 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.338 2.994 4.310 1.00 0.00 H new ATOM 1346 N SER A 83 3.521 5.911 2.983 1.00 0.00 N ATOM 1347 CA SER A 83 3.871 6.895 1.918 1.00 0.00 C ATOM 1348 C SER A 83 4.960 6.259 1.050 1.00 0.00 C ATOM 1349 O SER A 83 6.004 6.824 0.792 1.00 0.00 O ATOM 1350 CB SER A 83 4.369 8.150 2.635 1.00 0.00 C ATOM 1351 OG SER A 83 3.805 8.199 3.938 1.00 0.00 O ATOM 0 H SER A 83 4.309 5.563 3.529 1.00 0.00 H new ATOM 0 HA SER A 83 3.032 7.161 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.457 8.140 2.697 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.090 9.040 2.071 1.00 0.00 H new ATOM 0 HG SER A 83 4.123 9.001 4.402 1.00 0.00 H new ATOM 1357 N ASN A 84 4.683 5.063 0.609 1.00 0.00 N ATOM 1358 CA ASN A 84 5.629 4.284 -0.252 1.00 0.00 C ATOM 1359 C ASN A 84 4.813 3.144 -0.871 1.00 0.00 C ATOM 1360 O ASN A 84 4.688 3.036 -2.076 1.00 0.00 O ATOM 1361 CB ASN A 84 6.701 3.744 0.698 1.00 0.00 C ATOM 1362 CG ASN A 84 7.988 4.562 0.538 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.356 5.310 1.422 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.699 4.456 -0.559 1.00 0.00 N ATOM 0 H ASN A 84 3.812 4.575 0.815 1.00 0.00 H new ATOM 0 HA ASN A 84 6.096 4.864 -1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.349 3.798 1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.896 2.693 0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.555 5.000 -0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.396 3.830 -1.305 1.00 0.00 H new ATOM 1371 N LEU A 85 4.183 2.339 -0.029 1.00 0.00 N ATOM 1372 CA LEU A 85 3.289 1.262 -0.558 1.00 0.00 C ATOM 1373 C LEU A 85 2.181 1.912 -1.416 1.00 0.00 C ATOM 1374 O LEU A 85 1.696 1.299 -2.350 1.00 0.00 O ATOM 1375 CB LEU A 85 2.680 0.551 0.670 1.00 0.00 C ATOM 1376 CG LEU A 85 1.692 -0.528 0.217 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.436 -1.607 -0.573 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.033 -1.161 1.445 1.00 0.00 C ATOM 0 H LEU A 85 4.253 2.387 0.987 1.00 0.00 H new ATOM 0 HA LEU A 85 3.829 0.548 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.472 0.102 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.172 1.277 1.305 1.00 0.00 H new ATOM 0 HG LEU A 85 0.929 -0.077 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.731 -2.374 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.907 -1.158 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.200 -2.059 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.329 -1.929 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.798 -1.611 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.501 -0.394 2.008 1.00 0.00 H new ATOM 1390 N ILE A 86 1.783 3.157 -1.134 1.00 0.00 N ATOM 1391 CA ILE A 86 0.725 3.786 -1.993 1.00 0.00 C ATOM 1392 C ILE A 86 1.337 4.129 -3.363 1.00 0.00 C ATOM 1393 O ILE A 86 0.709 3.932 -4.386 1.00 0.00 O ATOM 1394 CB ILE A 86 0.220 5.046 -1.258 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.574 4.595 -0.016 1.00 0.00 C ATOM 1396 CG2 ILE A 86 -0.686 5.872 -2.192 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.253 5.792 0.660 1.00 0.00 C ATOM 0 H ILE A 86 2.139 3.734 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.116 3.114 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 86 1.063 5.668 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.326 3.861 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.095 4.104 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.038 6.759 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.121 6.173 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.541 5.268 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.807 5.450 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.496 6.513 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.939 6.266 -0.042 1.00 0.00 H new ATOM 1409 N ASN A 87 2.564 4.622 -3.398 1.00 0.00 N ATOM 1410 CA ASN A 87 3.196 4.944 -4.729 1.00 0.00 C ATOM 1411 C ASN A 87 3.227 3.671 -5.589 1.00 0.00 C ATOM 1412 O ASN A 87 2.889 3.700 -6.755 1.00 0.00 O ATOM 1413 CB ASN A 87 4.626 5.429 -4.442 1.00 0.00 C ATOM 1414 CG ASN A 87 5.249 5.976 -5.732 1.00 0.00 C ATOM 1415 OD1 ASN A 87 5.017 5.444 -6.801 1.00 0.00 O ATOM 1416 ND2 ASN A 87 6.037 7.023 -5.686 1.00 0.00 N ATOM 0 H ASN A 87 3.143 4.812 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 87 2.636 5.710 -5.266 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.612 6.204 -3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.229 4.608 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.452 7.387 -6.544 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.235 7.473 -4.792 1.00 0.00 H new ATOM 1423 N LEU A 88 3.603 2.544 -5.009 1.00 0.00 N ATOM 1424 CA LEU A 88 3.622 1.266 -5.805 1.00 0.00 C ATOM 1425 C LEU A 88 2.198 0.955 -6.286 1.00 0.00 C ATOM 1426 O LEU A 88 1.998 0.548 -7.415 1.00 0.00 O ATOM 1427 CB LEU A 88 4.113 0.155 -4.863 1.00 0.00 C ATOM 1428 CG LEU A 88 5.549 0.448 -4.423 1.00 0.00 C ATOM 1429 CD1 LEU A 88 5.763 -0.080 -3.003 1.00 0.00 C ATOM 1430 CD2 LEU A 88 6.524 -0.247 -5.377 1.00 0.00 C ATOM 0 H LEU A 88 3.893 2.456 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 88 4.274 1.346 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.462 0.090 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.067 -0.810 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 88 5.725 1.524 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.786 0.128 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.067 0.411 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.589 -1.156 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.548 -0.040 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.349 -1.323 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.370 0.126 -6.390 1.00 0.00 H new ATOM 1442 N LEU A 89 1.198 1.158 -5.442 1.00 0.00 N ATOM 1443 CA LEU A 89 -0.219 0.881 -5.884 1.00 0.00 C ATOM 1444 C LEU A 89 -0.532 1.705 -7.142 1.00 0.00 C ATOM 1445 O LEU A 89 -1.152 1.215 -8.068 1.00 0.00 O ATOM 1446 CB LEU A 89 -1.140 1.308 -4.728 1.00 0.00 C ATOM 1447 CG LEU A 89 -1.239 0.175 -3.703 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -2.060 0.645 -2.499 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.923 -1.033 -4.348 1.00 0.00 C ATOM 0 H LEU A 89 1.299 1.497 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.363 -0.173 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.750 2.208 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.131 1.553 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.239 -0.106 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.130 -0.162 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.574 1.507 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.061 0.925 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.995 -1.842 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.923 -0.752 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.339 -1.367 -5.205 1.00 0.00 H new ATOM 1461 N ALA A 90 -0.086 2.945 -7.195 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.341 3.775 -8.412 1.00 0.00 C ATOM 1463 C ALA A 90 0.947 3.904 -9.250 1.00 0.00 C ATOM 1464 O ALA A 90 1.122 4.877 -9.959 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.783 5.146 -7.891 1.00 0.00 C ATOM 0 H ALA A 90 0.438 3.409 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.098 3.328 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.987 5.807 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.686 5.033 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.009 5.575 -7.277 1.00 0.00 H new ATOM 1471 N GLU A 91 1.846 2.932 -9.191 1.00 0.00 N ATOM 1472 CA GLU A 91 3.102 3.032 -10.011 1.00 0.00 C ATOM 1473 C GLU A 91 2.917 2.293 -11.344 1.00 0.00 C ATOM 1474 O GLU A 91 3.325 2.778 -12.383 1.00 0.00 O ATOM 1475 CB GLU A 91 4.214 2.368 -9.182 1.00 0.00 C ATOM 1476 CG GLU A 91 5.544 2.458 -9.936 1.00 0.00 C ATOM 1477 CD GLU A 91 6.576 1.553 -9.262 1.00 0.00 C ATOM 1478 OE1 GLU A 91 6.227 0.431 -8.934 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.699 1.997 -9.084 1.00 0.00 O ATOM 0 H GLU A 91 1.762 2.091 -8.620 1.00 0.00 H new ATOM 0 HA GLU A 91 3.348 4.069 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.301 2.859 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.964 1.325 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.406 2.159 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.900 3.488 -9.946 1.00 0.00 H new ATOM 1486 N ASN A 92 2.306 1.124 -11.330 1.00 0.00 N ATOM 1487 CA ASN A 92 2.106 0.374 -12.608 1.00 0.00 C ATOM 1488 C ASN A 92 0.697 -0.243 -12.665 1.00 0.00 C ATOM 1489 O ASN A 92 0.515 -1.313 -13.215 1.00 0.00 O ATOM 1490 CB ASN A 92 3.169 -0.725 -12.589 1.00 0.00 C ATOM 1491 CG ASN A 92 4.524 -0.132 -12.996 1.00 0.00 C ATOM 1492 OD1 ASN A 92 4.741 0.168 -14.154 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.456 0.051 -12.093 1.00 0.00 N ATOM 0 H ASN A 92 1.943 0.666 -10.494 1.00 0.00 H new ATOM 0 HA ASN A 92 2.197 1.023 -13.479 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.236 -1.164 -11.593 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.891 -1.527 -13.273 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.358 0.443 -12.363 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.279 -0.199 -11.120 1.00 0.00 H new ATOM 1500 N GLY A 93 -0.302 0.414 -12.105 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.678 -0.154 -12.141 1.00 0.00 C ATOM 1502 C GLY A 93 -1.799 -1.231 -11.060 1.00 0.00 C ATOM 1503 O GLY A 93 -2.191 -2.349 -11.340 1.00 0.00 O ATOM 0 H GLY A 93 -0.215 1.312 -11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.415 0.632 -11.974 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.884 -0.581 -13.123 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.464 -0.911 -9.826 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.566 -1.938 -8.743 1.00 0.00 C ATOM 1509 C ARG A 94 -2.790 -1.687 -7.842 1.00 0.00 C ATOM 1510 O ARG A 94 -2.812 -2.121 -6.706 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.268 -1.818 -7.938 1.00 0.00 C ATOM 1512 CG ARG A 94 0.802 -2.720 -8.557 1.00 0.00 C ATOM 1513 CD ARG A 94 0.447 -4.186 -8.297 1.00 0.00 C ATOM 1514 NE ARG A 94 1.671 -4.949 -8.670 1.00 0.00 N ATOM 1515 CZ ARG A 94 1.938 -5.180 -9.926 1.00 0.00 C ATOM 1516 NH1 ARG A 94 1.130 -5.915 -10.640 1.00 0.00 N ATOM 1517 NH2 ARG A 94 3.012 -4.677 -10.468 1.00 0.00 N ATOM 0 H ARG A 94 -1.129 0.006 -9.529 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.696 -2.937 -9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.074 -0.783 -7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.443 -2.103 -6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.872 -2.536 -9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.778 -2.490 -8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.183 -4.349 -7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.410 -4.497 -8.895 1.00 0.00 H new ATOM 0 HE ARG A 94 2.300 -5.291 -7.944 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.290 -6.309 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.338 -6.096 -11.622 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.644 -4.103 -9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.220 -4.858 -11.450 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.827 -1.028 -8.337 1.00 0.00 N ATOM 1532 CA LEU A 95 -5.042 -0.815 -7.489 1.00 0.00 C ATOM 1533 C LEU A 95 -6.177 -1.735 -7.983 1.00 0.00 C ATOM 1534 O LEU A 95 -7.341 -1.396 -7.908 1.00 0.00 O ATOM 1535 CB LEU A 95 -5.408 0.664 -7.646 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.413 1.522 -6.854 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -4.362 2.931 -7.446 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.855 1.606 -5.389 1.00 0.00 C ATOM 0 H LEU A 95 -3.877 -0.637 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.869 -1.055 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.390 0.945 -8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.422 0.839 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.425 1.066 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.654 3.538 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.043 2.877 -8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.352 3.384 -7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.146 2.216 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.846 2.058 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.888 0.604 -4.961 1.00 0.00 H new ATOM 1550 N THR A 96 -5.836 -2.921 -8.456 1.00 0.00 N ATOM 1551 CA THR A 96 -6.877 -3.894 -8.918 1.00 0.00 C ATOM 1552 C THR A 96 -6.972 -4.991 -7.854 1.00 0.00 C ATOM 1553 O THR A 96 -8.039 -5.292 -7.355 1.00 0.00 O ATOM 1554 CB THR A 96 -6.367 -4.455 -10.251 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.113 -5.090 -10.046 1.00 0.00 O ATOM 1556 CG2 THR A 96 -6.205 -3.313 -11.256 1.00 0.00 C ATOM 0 H THR A 96 -4.875 -3.252 -8.540 1.00 0.00 H new ATOM 0 HA THR A 96 -7.864 -3.452 -9.055 1.00 0.00 H new ATOM 0 HB THR A 96 -7.082 -5.180 -10.640 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.786 -5.451 -10.897 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.842 -3.711 -12.204 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.168 -2.826 -11.411 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.489 -2.587 -10.870 1.00 0.00 H new ATOM 1564 N ASN A 97 -5.839 -5.543 -7.447 1.00 0.00 N ATOM 1565 CA ASN A 97 -5.844 -6.557 -6.356 1.00 0.00 C ATOM 1566 C ASN A 97 -5.403 -5.862 -5.047 1.00 0.00 C ATOM 1567 O ASN A 97 -4.706 -6.442 -4.238 1.00 0.00 O ATOM 1568 CB ASN A 97 -4.817 -7.617 -6.774 1.00 0.00 C ATOM 1569 CG ASN A 97 -5.348 -8.396 -7.984 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -6.126 -9.316 -7.830 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -4.960 -8.067 -9.192 1.00 0.00 N ATOM 0 H ASN A 97 -4.919 -5.327 -7.831 1.00 0.00 H new ATOM 0 HA ASN A 97 -6.824 -7.006 -6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.868 -7.141 -7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.624 -8.299 -5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.311 -8.583 -9.999 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.307 -7.295 -9.325 1.00 0.00 H new ATOM 1578 N THR A 98 -5.804 -4.610 -4.837 1.00 0.00 N ATOM 1579 CA THR A 98 -5.401 -3.887 -3.589 1.00 0.00 C ATOM 1580 C THR A 98 -6.136 -4.383 -2.315 1.00 0.00 C ATOM 1581 O THR A 98 -5.556 -4.302 -1.247 1.00 0.00 O ATOM 1582 CB THR A 98 -5.681 -2.385 -3.827 1.00 0.00 C ATOM 1583 OG1 THR A 98 -5.133 -1.633 -2.754 1.00 0.00 O ATOM 1584 CG2 THR A 98 -7.189 -2.120 -3.913 1.00 0.00 C ATOM 0 H THR A 98 -6.388 -4.073 -5.478 1.00 0.00 H new ATOM 0 HA THR A 98 -4.345 -4.080 -3.399 1.00 0.00 H new ATOM 0 HB THR A 98 -5.221 -2.088 -4.769 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.306 -0.680 -2.901 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.363 -1.057 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.612 -2.692 -4.739 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.665 -2.423 -2.981 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.377 -4.864 -2.410 1.00 0.00 N ATOM 1593 CA PRO A 99 -8.073 -5.315 -1.172 1.00 0.00 C ATOM 1594 C PRO A 99 -7.319 -6.482 -0.518 1.00 0.00 C ATOM 1595 O PRO A 99 -7.240 -6.554 0.695 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.471 -5.706 -1.648 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.306 -5.998 -3.097 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.241 -5.056 -3.595 1.00 0.00 C ATOM 0 HA PRO A 99 -8.119 -4.547 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.845 -6.576 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.185 -4.899 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.013 -7.036 -3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.242 -5.846 -3.634 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.687 -5.481 -4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.666 -4.114 -3.940 1.00 0.00 H new ATOM 1606 N ALA A 100 -6.730 -7.378 -1.290 1.00 0.00 N ATOM 1607 CA ALA A 100 -5.954 -8.495 -0.644 1.00 0.00 C ATOM 1608 C ALA A 100 -4.749 -7.886 0.088 1.00 0.00 C ATOM 1609 O ALA A 100 -4.431 -8.280 1.191 1.00 0.00 O ATOM 1610 CB ALA A 100 -5.479 -9.442 -1.755 1.00 0.00 C ATOM 0 H ALA A 100 -6.752 -7.385 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.565 -9.046 0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.912 -10.263 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.343 -9.841 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.844 -8.895 -2.452 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.089 -6.902 -0.506 1.00 0.00 N ATOM 1617 CA VAL A 101 -2.918 -6.258 0.199 1.00 0.00 C ATOM 1618 C VAL A 101 -3.375 -5.712 1.568 1.00 0.00 C ATOM 1619 O VAL A 101 -2.627 -5.742 2.526 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.432 -5.103 -0.702 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.257 -4.379 -0.031 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -1.976 -5.660 -2.059 1.00 0.00 C ATOM 0 H VAL A 101 -4.306 -6.525 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.116 -6.975 0.372 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.252 -4.402 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.918 -3.565 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.579 -3.976 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.439 -5.082 0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.634 -4.841 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.160 -6.366 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.810 -6.168 -2.543 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.602 -5.227 1.674 1.00 0.00 N ATOM 1633 CA ILE A 102 -5.086 -4.702 2.997 1.00 0.00 C ATOM 1634 C ILE A 102 -5.692 -5.853 3.815 1.00 0.00 C ATOM 1635 O ILE A 102 -5.412 -5.992 4.991 1.00 0.00 O ATOM 1636 CB ILE A 102 -6.158 -3.646 2.684 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.565 -2.565 1.773 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -6.636 -3.003 3.987 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.670 -1.601 1.337 1.00 0.00 C ATOM 0 H ILE A 102 -5.277 -5.174 0.911 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.273 -4.268 3.579 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.999 -4.124 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.781 -2.021 2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.103 -3.024 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -7.396 -2.254 3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.060 -3.769 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.793 -2.527 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.248 -0.833 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.439 -2.151 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.111 -1.132 2.216 1.00 0.00 H new ATOM 1651 N SER A 103 -6.511 -6.691 3.203 1.00 0.00 N ATOM 1652 CA SER A 103 -7.109 -7.840 3.975 1.00 0.00 C ATOM 1653 C SER A 103 -5.990 -8.794 4.395 1.00 0.00 C ATOM 1654 O SER A 103 -5.841 -9.098 5.565 1.00 0.00 O ATOM 1655 CB SER A 103 -8.085 -8.562 3.034 1.00 0.00 C ATOM 1656 OG SER A 103 -9.383 -8.003 3.185 1.00 0.00 O ATOM 0 H SER A 103 -6.786 -6.631 2.223 1.00 0.00 H new ATOM 0 HA SER A 103 -7.627 -7.491 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.752 -8.464 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.107 -9.628 3.262 1.00 0.00 H new ATOM 0 HG SER A 103 -10.008 -8.460 2.585 1.00 0.00 H new ATOM 1662 N ALA A 104 -5.184 -9.259 3.458 1.00 0.00 N ATOM 1663 CA ALA A 104 -4.056 -10.183 3.840 1.00 0.00 C ATOM 1664 C ALA A 104 -3.193 -9.526 4.929 1.00 0.00 C ATOM 1665 O ALA A 104 -2.671 -10.199 5.793 1.00 0.00 O ATOM 1666 CB ALA A 104 -3.211 -10.414 2.579 1.00 0.00 C ATOM 0 H ALA A 104 -5.256 -9.044 2.464 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.441 -11.126 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.381 -11.080 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.830 -10.865 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.821 -9.461 2.223 1.00 0.00 H new ATOM 1672 N PHE A 105 -3.051 -8.211 4.908 1.00 0.00 N ATOM 1673 CA PHE A 105 -2.229 -7.529 5.971 1.00 0.00 C ATOM 1674 C PHE A 105 -2.739 -7.935 7.361 1.00 0.00 C ATOM 1675 O PHE A 105 -1.959 -8.189 8.260 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.423 -6.020 5.769 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.408 -5.276 6.590 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.519 -5.246 7.984 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.353 -4.617 5.958 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.573 -4.559 8.741 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.594 -3.930 6.717 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.482 -3.902 8.108 1.00 0.00 C ATOM 0 H PHE A 105 -3.463 -7.591 4.211 1.00 0.00 H new ATOM 0 HA PHE A 105 -1.178 -7.808 5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.313 -5.765 4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.431 -5.728 6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.337 -5.755 8.473 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.270 -4.639 4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.656 -4.535 9.818 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.412 -3.421 6.230 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.215 -3.370 8.696 1.00 0.00 H new ATOM 1692 N SER A 106 -4.043 -8.012 7.539 1.00 0.00 N ATOM 1693 CA SER A 106 -4.579 -8.422 8.883 1.00 0.00 C ATOM 1694 C SER A 106 -4.316 -9.920 9.105 1.00 0.00 C ATOM 1695 O SER A 106 -3.999 -10.334 10.205 1.00 0.00 O ATOM 1696 CB SER A 106 -6.088 -8.130 8.868 1.00 0.00 C ATOM 1697 OG SER A 106 -6.796 -9.305 8.489 1.00 0.00 O ATOM 0 H SER A 106 -4.746 -7.813 6.827 1.00 0.00 H new ATOM 0 HA SER A 106 -4.095 -7.876 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.415 -7.798 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.306 -7.321 8.171 1.00 0.00 H new ATOM 0 HG SER A 106 -6.641 -9.488 7.539 1.00 0.00 H new ATOM 1703 N THR A 107 -4.430 -10.736 8.073 1.00 0.00 N ATOM 1704 CA THR A 107 -4.162 -12.204 8.259 1.00 0.00 C ATOM 1705 C THR A 107 -2.648 -12.461 8.363 1.00 0.00 C ATOM 1706 O THR A 107 -2.230 -13.371 9.055 1.00 0.00 O ATOM 1707 CB THR A 107 -4.774 -12.927 7.042 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.960 -12.255 6.647 1.00 0.00 O ATOM 1709 CG2 THR A 107 -5.111 -14.370 7.428 1.00 0.00 C ATOM 0 H THR A 107 -4.692 -10.454 7.128 1.00 0.00 H new ATOM 0 HA THR A 107 -4.608 -12.576 9.182 1.00 0.00 H new ATOM 0 HB THR A 107 -4.062 -12.927 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.351 -12.710 5.872 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.544 -14.884 6.570 1.00 0.00 H new ATOM 0 HG22 THR A 107 -4.202 -14.885 7.739 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.827 -14.369 8.250 1.00 0.00 H new ATOM 1717 N MET A 108 -1.814 -11.659 7.721 1.00 0.00 N ATOM 1718 CA MET A 108 -0.335 -11.882 7.855 1.00 0.00 C ATOM 1719 C MET A 108 0.127 -11.371 9.229 1.00 0.00 C ATOM 1720 O MET A 108 1.024 -11.934 9.827 1.00 0.00 O ATOM 1721 CB MET A 108 0.344 -11.092 6.727 1.00 0.00 C ATOM 1722 CG MET A 108 0.078 -11.781 5.386 1.00 0.00 C ATOM 1723 SD MET A 108 0.930 -13.379 5.343 1.00 0.00 S ATOM 1724 CE MET A 108 1.301 -13.391 3.572 1.00 0.00 C ATOM 0 H MET A 108 -2.090 -10.879 7.125 1.00 0.00 H new ATOM 0 HA MET A 108 -0.078 -12.939 7.781 1.00 0.00 H new ATOM 0 HB2 MET A 108 -0.036 -10.071 6.704 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.417 -11.029 6.908 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.993 -11.925 5.246 1.00 0.00 H new ATOM 0 HG3 MET A 108 0.425 -11.151 4.567 1.00 0.00 H new ATOM 0 HE1 MET A 108 1.205 -14.406 3.187 1.00 0.00 H new ATOM 0 HE2 MET A 108 0.603 -12.737 3.049 1.00 0.00 H new ATOM 0 HE3 MET A 108 2.319 -13.037 3.411 1.00 0.00 H new ATOM 1734 N MET A 109 -0.487 -10.317 9.753 1.00 0.00 N ATOM 1735 CA MET A 109 -0.069 -9.808 11.110 1.00 0.00 C ATOM 1736 C MET A 109 -0.178 -10.942 12.139 1.00 0.00 C ATOM 1737 O MET A 109 0.664 -11.070 13.001 1.00 0.00 O ATOM 1738 CB MET A 109 -1.033 -8.668 11.477 1.00 0.00 C ATOM 1739 CG MET A 109 -0.609 -8.048 12.809 1.00 0.00 C ATOM 1740 SD MET A 109 -2.050 -7.306 13.616 1.00 0.00 S ATOM 1741 CE MET A 109 -2.478 -8.720 14.661 1.00 0.00 C ATOM 0 H MET A 109 -1.244 -9.799 9.306 1.00 0.00 H new ATOM 0 HA MET A 109 0.962 -9.454 11.100 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.031 -7.910 10.694 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.052 -9.049 11.549 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.170 -8.810 13.453 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.158 -7.291 12.642 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.358 -8.478 15.258 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.692 -9.585 14.033 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.643 -8.950 15.323 1.00 0.00 H new ATOM 1751 N SER A 110 -1.184 -11.792 12.057 1.00 0.00 N ATOM 1752 CA SER A 110 -1.272 -12.921 13.062 1.00 0.00 C ATOM 1753 C SER A 110 0.032 -13.743 13.065 1.00 0.00 C ATOM 1754 O SER A 110 0.432 -14.258 14.092 1.00 0.00 O ATOM 1755 CB SER A 110 -2.457 -13.802 12.645 1.00 0.00 C ATOM 1756 OG SER A 110 -3.671 -13.164 13.019 1.00 0.00 O ATOM 0 H SER A 110 -1.929 -11.760 11.361 1.00 0.00 H new ATOM 0 HA SER A 110 -1.414 -12.531 14.070 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.438 -13.971 11.568 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.384 -14.779 13.122 1.00 0.00 H new ATOM 0 HG SER A 110 -4.430 -13.723 12.752 1.00 0.00 H new ATOM 1762 N VAL A 111 0.710 -13.858 11.937 1.00 0.00 N ATOM 1763 CA VAL A 111 1.999 -14.638 11.924 1.00 0.00 C ATOM 1764 C VAL A 111 3.168 -13.806 12.507 1.00 0.00 C ATOM 1765 O VAL A 111 4.240 -14.336 12.725 1.00 0.00 O ATOM 1766 CB VAL A 111 2.280 -14.996 10.454 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.543 -15.857 10.366 1.00 0.00 C ATOM 1768 CG2 VAL A 111 1.094 -15.779 9.884 1.00 0.00 C ATOM 0 H VAL A 111 0.433 -13.454 11.042 1.00 0.00 H new ATOM 0 HA VAL A 111 1.910 -15.531 12.543 1.00 0.00 H new ATOM 0 HB VAL A 111 2.424 -14.080 9.881 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.740 -16.109 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.390 -15.303 10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.400 -16.773 10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.292 -16.033 8.843 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.951 -16.694 10.460 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.193 -15.169 9.943 1.00 0.00 H new ATOM 1778 N HIS A 112 2.982 -12.522 12.778 1.00 0.00 N ATOM 1779 CA HIS A 112 4.093 -11.712 13.356 1.00 0.00 C ATOM 1780 C HIS A 112 4.031 -11.745 14.905 1.00 0.00 C ATOM 1781 O HIS A 112 5.019 -11.485 15.562 1.00 0.00 O ATOM 1782 CB HIS A 112 3.901 -10.287 12.763 1.00 0.00 C ATOM 1783 CG HIS A 112 3.315 -9.319 13.766 1.00 0.00 C ATOM 1784 ND1 HIS A 112 2.056 -9.470 14.320 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.831 -8.197 14.323 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.865 -8.453 15.175 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.921 -7.642 15.218 1.00 0.00 N ATOM 0 H HIS A 112 2.111 -12.014 12.621 1.00 0.00 H new ATOM 0 HA HIS A 112 5.082 -12.095 13.105 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.862 -9.908 12.416 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.248 -10.344 11.892 1.00 0.00 H new ATOM 0 HD1 HIS A 112 1.393 -10.218 14.116 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.808 -7.792 14.104 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.966 -8.310 15.756 1.00 0.00 H new ATOM 1795 N ARG A 113 2.882 -12.045 15.496 1.00 0.00 N ATOM 1796 CA ARG A 113 2.806 -12.067 16.993 1.00 0.00 C ATOM 1797 C ARG A 113 2.868 -13.507 17.555 1.00 0.00 C ATOM 1798 O ARG A 113 3.119 -13.691 18.732 1.00 0.00 O ATOM 1799 CB ARG A 113 1.460 -11.420 17.342 1.00 0.00 C ATOM 1800 CG ARG A 113 1.404 -11.127 18.842 1.00 0.00 C ATOM 1801 CD ARG A 113 0.372 -10.029 19.108 1.00 0.00 C ATOM 1802 NE ARG A 113 0.672 -9.543 20.483 1.00 0.00 N ATOM 1803 CZ ARG A 113 1.139 -8.338 20.662 1.00 0.00 C ATOM 1804 NH1 ARG A 113 2.225 -7.961 20.045 1.00 0.00 N ATOM 1805 NH2 ARG A 113 0.518 -7.510 21.457 1.00 0.00 N ATOM 0 H ARG A 113 2.014 -12.270 15.010 1.00 0.00 H new ATOM 0 HA ARG A 113 3.651 -11.536 17.431 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.331 -10.497 16.776 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.642 -12.083 17.060 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.139 -12.031 19.390 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.385 -10.813 19.199 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.455 -9.224 18.378 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.644 -10.417 19.040 1.00 0.00 H new ATOM 0 HE ARG A 113 0.512 -10.152 21.285 1.00 0.00 H new ATOM 0 HH11 ARG A 113 2.709 -8.608 19.423 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.590 -7.019 20.185 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.332 -7.805 21.938 1.00 0.00 H new ATOM 0 HH22 ARG A 113 0.882 -6.568 21.598 1.00 0.00 H new ATOM 1819 N GLY A 114 2.631 -14.531 16.749 1.00 0.00 N ATOM 1820 CA GLY A 114 2.669 -15.926 17.283 1.00 0.00 C ATOM 1821 C GLY A 114 4.121 -16.401 17.463 1.00 0.00 C ATOM 1822 O GLY A 114 4.453 -16.991 18.475 1.00 0.00 O ATOM 0 H GLY A 114 2.416 -14.452 15.755 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.146 -15.969 18.238 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.144 -16.596 16.602 1.00 0.00 H new ATOM 2000 N GLU B 7 9.215 -8.316 -7.311 1.00 0.00 N ATOM 2001 CA GLU B 7 8.707 -7.699 -6.050 1.00 0.00 C ATOM 2002 C GLU B 7 9.462 -6.389 -5.780 1.00 0.00 C ATOM 2003 O GLU B 7 10.021 -6.198 -4.716 1.00 0.00 O ATOM 2004 CB GLU B 7 8.993 -8.732 -4.956 1.00 0.00 C ATOM 2005 CG GLU B 7 7.770 -8.873 -4.047 1.00 0.00 C ATOM 2006 CD GLU B 7 7.996 -10.020 -3.059 1.00 0.00 C ATOM 2007 OE1 GLU B 7 8.398 -11.084 -3.499 1.00 0.00 O ATOM 2008 OE2 GLU B 7 7.762 -9.814 -1.880 1.00 0.00 O ATOM 0 HA GLU B 7 7.646 -7.454 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU B 7 9.237 -9.694 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU B 7 9.860 -8.425 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU B 7 7.597 -7.943 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU B 7 6.879 -9.065 -4.645 1.00 0.00 H new ATOM 2015 N VAL B 8 9.486 -5.482 -6.740 1.00 0.00 N ATOM 2016 CA VAL B 8 10.218 -4.174 -6.527 1.00 0.00 C ATOM 2017 C VAL B 8 9.776 -3.504 -5.212 1.00 0.00 C ATOM 2018 O VAL B 8 10.556 -2.820 -4.575 1.00 0.00 O ATOM 2019 CB VAL B 8 9.887 -3.261 -7.722 1.00 0.00 C ATOM 2020 CG1 VAL B 8 10.392 -3.902 -9.017 1.00 0.00 C ATOM 2021 CG2 VAL B 8 8.372 -3.044 -7.815 1.00 0.00 C ATOM 0 H VAL B 8 9.038 -5.586 -7.650 1.00 0.00 H new ATOM 0 HA VAL B 8 11.291 -4.352 -6.458 1.00 0.00 H new ATOM 0 HB VAL B 8 10.377 -2.298 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL B 8 10.156 -3.253 -9.860 1.00 0.00 H new ATOM 0 HG12 VAL B 8 11.471 -4.041 -8.957 1.00 0.00 H new ATOM 0 HG13 VAL B 8 9.909 -4.869 -9.157 1.00 0.00 H new ATOM 0 HG21 VAL B 8 8.149 -2.397 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL B 8 7.875 -4.004 -7.950 1.00 0.00 H new ATOM 0 HG23 VAL B 8 8.014 -2.576 -6.898 1.00 0.00 H new ATOM 2031 N SER B 9 8.542 -3.703 -4.787 1.00 0.00 N ATOM 2032 CA SER B 9 8.102 -3.075 -3.494 1.00 0.00 C ATOM 2033 C SER B 9 8.698 -3.859 -2.314 1.00 0.00 C ATOM 2034 O SER B 9 9.069 -3.277 -1.311 1.00 0.00 O ATOM 2035 CB SER B 9 6.567 -3.143 -3.465 1.00 0.00 C ATOM 2036 OG SER B 9 6.115 -2.972 -2.129 1.00 0.00 O ATOM 0 H SER B 9 7.837 -4.260 -5.269 1.00 0.00 H new ATOM 0 HA SER B 9 8.440 -2.042 -3.416 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.145 -2.369 -4.106 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.226 -4.102 -3.857 1.00 0.00 H new ATOM 0 HG SER B 9 5.203 -3.321 -2.045 1.00 0.00 H new ATOM 2042 N SER B 10 8.812 -5.172 -2.423 1.00 0.00 N ATOM 2043 CA SER B 10 9.409 -5.957 -1.289 1.00 0.00 C ATOM 2044 C SER B 10 10.926 -5.732 -1.256 1.00 0.00 C ATOM 2045 O SER B 10 11.499 -5.545 -0.198 1.00 0.00 O ATOM 2046 CB SER B 10 9.092 -7.435 -1.557 1.00 0.00 C ATOM 2047 OG SER B 10 9.785 -8.244 -0.614 1.00 0.00 O ATOM 0 H SER B 10 8.523 -5.721 -3.233 1.00 0.00 H new ATOM 0 HA SER B 10 9.001 -5.646 -0.327 1.00 0.00 H new ATOM 0 HB2 SER B 10 8.018 -7.608 -1.482 1.00 0.00 H new ATOM 0 HB3 SER B 10 9.388 -7.704 -2.571 1.00 0.00 H new ATOM 0 HG SER B 10 9.417 -9.152 -0.629 1.00 0.00 H new ATOM 2053 N ILE B 11 11.583 -5.726 -2.401 1.00 0.00 N ATOM 2054 CA ILE B 11 13.069 -5.484 -2.392 1.00 0.00 C ATOM 2055 C ILE B 11 13.354 -4.049 -1.903 1.00 0.00 C ATOM 2056 O ILE B 11 14.335 -3.811 -1.224 1.00 0.00 O ATOM 2057 CB ILE B 11 13.576 -5.703 -3.836 1.00 0.00 C ATOM 2058 CG1 ILE B 11 15.106 -5.687 -3.846 1.00 0.00 C ATOM 2059 CG2 ILE B 11 13.055 -4.605 -4.769 1.00 0.00 C ATOM 2060 CD1 ILE B 11 15.616 -6.382 -5.112 1.00 0.00 C ATOM 0 H ILE B 11 11.166 -5.874 -3.320 1.00 0.00 H new ATOM 0 HA ILE B 11 13.584 -6.166 -1.715 1.00 0.00 H new ATOM 0 HB ILE B 11 13.208 -6.666 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE B 11 15.470 -4.660 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE B 11 15.491 -6.192 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE B 11 13.425 -4.780 -5.779 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.965 -4.619 -4.774 1.00 0.00 H new ATOM 0 HG23 ILE B 11 13.404 -3.634 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE B 11 16.706 -6.371 -5.119 1.00 0.00 H new ATOM 0 HD12 ILE B 11 15.264 -7.413 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE B 11 15.242 -5.857 -5.991 1.00 0.00 H new ATOM 2072 N LEU B 12 12.500 -3.090 -2.231 1.00 0.00 N ATOM 2073 CA LEU B 12 12.747 -1.681 -1.756 1.00 0.00 C ATOM 2074 C LEU B 12 12.809 -1.641 -0.217 1.00 0.00 C ATOM 2075 O LEU B 12 13.568 -0.875 0.347 1.00 0.00 O ATOM 2076 CB LEU B 12 11.569 -0.830 -2.257 1.00 0.00 C ATOM 2077 CG LEU B 12 11.966 0.647 -2.249 1.00 0.00 C ATOM 2078 CD1 LEU B 12 12.875 0.939 -3.444 1.00 0.00 C ATOM 2079 CD2 LEU B 12 10.707 1.512 -2.345 1.00 0.00 C ATOM 0 H LEU B 12 11.661 -3.221 -2.795 1.00 0.00 H new ATOM 0 HA LEU B 12 13.695 -1.302 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU B 12 11.288 -1.136 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.697 -0.987 -1.621 1.00 0.00 H new ATOM 0 HG LEU B 12 12.497 0.875 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU B 12 13.157 1.992 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU B 12 13.771 0.322 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU B 12 12.345 0.711 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU B 12 10.988 2.565 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU B 12 10.178 1.283 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU B 12 10.058 1.305 -1.494 1.00 0.00 H new ATOM 2091 N GLU B 13 12.024 -2.454 0.471 1.00 0.00 N ATOM 2092 CA GLU B 13 12.069 -2.431 1.982 1.00 0.00 C ATOM 2093 C GLU B 13 13.502 -2.698 2.473 1.00 0.00 C ATOM 2094 O GLU B 13 13.958 -2.083 3.419 1.00 0.00 O ATOM 2095 CB GLU B 13 11.131 -3.545 2.475 1.00 0.00 C ATOM 2096 CG GLU B 13 11.031 -3.499 4.005 1.00 0.00 C ATOM 2097 CD GLU B 13 11.065 -4.921 4.572 1.00 0.00 C ATOM 2098 OE1 GLU B 13 10.588 -5.820 3.899 1.00 0.00 O ATOM 2099 OE2 GLU B 13 11.568 -5.087 5.671 1.00 0.00 O ATOM 0 H GLU B 13 11.367 -3.119 0.062 1.00 0.00 H new ATOM 0 HA GLU B 13 11.758 -1.459 2.365 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.142 -3.423 2.033 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.506 -4.517 2.155 1.00 0.00 H new ATOM 0 HG2 GLU B 13 11.855 -2.915 4.415 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.108 -3.001 4.303 1.00 0.00 H new ATOM 2106 N GLU B 14 14.220 -3.604 1.837 1.00 0.00 N ATOM 2107 CA GLU B 14 15.631 -3.883 2.287 1.00 0.00 C ATOM 2108 C GLU B 14 16.522 -2.659 2.011 1.00 0.00 C ATOM 2109 O GLU B 14 17.384 -2.329 2.803 1.00 0.00 O ATOM 2110 CB GLU B 14 16.126 -5.092 1.479 1.00 0.00 C ATOM 2111 CG GLU B 14 15.703 -6.384 2.181 1.00 0.00 C ATOM 2112 CD GLU B 14 16.486 -7.562 1.598 1.00 0.00 C ATOM 2113 OE1 GLU B 14 16.584 -7.641 0.386 1.00 0.00 O ATOM 2114 OE2 GLU B 14 16.975 -8.365 2.376 1.00 0.00 O ATOM 0 H GLU B 14 13.898 -4.153 1.040 1.00 0.00 H new ATOM 0 HA GLU B 14 15.668 -4.089 3.357 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.714 -5.062 0.470 1.00 0.00 H new ATOM 0 HB3 GLU B 14 17.211 -5.058 1.381 1.00 0.00 H new ATOM 0 HG2 GLU B 14 15.888 -6.305 3.252 1.00 0.00 H new ATOM 0 HG3 GLU B 14 14.633 -6.546 2.053 1.00 0.00 H new