USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 991 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 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 133 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 76 TYR OH : rot -120:sc= 0.992 USER MOD Set 2.2: A 96 HIS : no HE2:sc= -2.01! C(o=-1!,f=-12!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -108:sc= -0.259 (180deg=-0.755) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0911 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0.206 (180deg=0.202) USER MOD Single : A 26 ASN : amide:sc= -0.0701 K(o=-0.07,f=-1.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 80:sc= -1.06 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0814 F(o=-0.98,f=-0.081) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0621 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.0526 F(o=-0.7,f=-0.053) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 62 SER OG : rot -107:sc= 0.645 USER MOD Single : A 63 MET CE :methyl 165:sc= -0.109 (180deg=-0.583) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.19) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -75:sc= 1.35 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0969 K(o=-0.097,f=-0.99) USER MOD Single : A 86 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.4) USER MOD Single : A 87 SER OG : rot 180:sc= 0.00207 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0.219 K(o=0.22,f=-2.4!) USER MOD Single : A 113 SER OG : rot 76:sc= 1.22 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -77:sc= 1.21 USER MOD Single : A 130 SER OG : rot 151:sc= 0.303 USER MOD Single : A 131 GLN : amide:sc= -0.902 K(o=-0.9,f=-1.5) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N TYR A 14 -6.210 -10.855 -8.202 1.00 0.00 N ATOM 216 CA TYR A 14 -7.144 -9.791 -7.876 1.00 0.00 C ATOM 217 C TYR A 14 -6.640 -8.443 -8.384 1.00 0.00 C ATOM 218 O TYR A 14 -5.716 -7.855 -7.821 1.00 0.00 O ATOM 219 CB TYR A 14 -7.384 -9.726 -6.367 1.00 0.00 C ATOM 220 CG TYR A 14 -8.048 -10.960 -5.798 1.00 0.00 C ATOM 221 CD1 TYR A 14 -9.385 -11.235 -6.062 1.00 0.00 C ATOM 222 CD2 TYR A 14 -7.346 -11.842 -4.987 1.00 0.00 C ATOM 223 CE1 TYR A 14 -10.000 -12.354 -5.535 1.00 0.00 C ATOM 224 CE2 TYR A 14 -7.955 -12.964 -4.459 1.00 0.00 C ATOM 225 CZ TYR A 14 -9.282 -13.213 -4.735 1.00 0.00 C ATOM 226 OH TYR A 14 -9.892 -14.326 -4.204 1.00 0.00 O ATOM 0 HA TYR A 14 -8.088 -10.015 -8.373 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.429 -9.574 -5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.003 -8.857 -6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.952 -10.563 -6.689 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.307 -11.648 -4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.039 -12.554 -5.750 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.394 -13.642 -3.833 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.246 -14.827 -3.664 1.00 0.00 H new ATOM 236 N ALA A 15 -7.247 -7.973 -9.459 1.00 0.00 N ATOM 237 CA ALA A 15 -6.904 -6.692 -10.047 1.00 0.00 C ATOM 238 C ALA A 15 -8.170 -5.916 -10.348 1.00 0.00 C ATOM 239 O ALA A 15 -9.153 -6.488 -10.818 1.00 0.00 O ATOM 240 CB ALA A 15 -6.091 -6.889 -11.318 1.00 0.00 C ATOM 0 H ALA A 15 -7.992 -8.469 -9.949 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.298 -6.128 -9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.843 -5.917 -11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.173 -7.427 -11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.674 -7.464 -12.038 1.00 0.00 H new ATOM 246 N MET A 16 -8.158 -4.626 -10.070 1.00 0.00 N ATOM 247 CA MET A 16 -9.313 -3.795 -10.347 1.00 0.00 C ATOM 248 C MET A 16 -9.299 -3.383 -11.811 1.00 0.00 C ATOM 249 O MET A 16 -8.748 -2.343 -12.176 1.00 0.00 O ATOM 250 CB MET A 16 -9.339 -2.565 -9.435 1.00 0.00 C ATOM 251 CG MET A 16 -10.632 -1.772 -9.527 1.00 0.00 C ATOM 252 SD MET A 16 -12.077 -2.745 -9.061 1.00 0.00 S ATOM 253 CE MET A 16 -11.727 -3.071 -7.335 1.00 0.00 C ATOM 0 H MET A 16 -7.367 -4.134 -9.655 1.00 0.00 H new ATOM 0 HA MET A 16 -10.217 -4.369 -10.145 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.190 -2.884 -8.403 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.503 -1.914 -9.692 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.564 -0.897 -8.881 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.758 -1.406 -10.546 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.456 -4.119 -7.210 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.900 -2.441 -7.006 1.00 0.00 H new ATOM 0 HE3 MET A 16 -12.611 -2.851 -6.737 1.00 0.00 H new ATOM 263 N LYS A 17 -9.865 -4.233 -12.652 1.00 0.00 N ATOM 264 CA LYS A 17 -9.869 -4.000 -14.084 1.00 0.00 C ATOM 265 C LYS A 17 -11.292 -3.840 -14.602 1.00 0.00 C ATOM 266 O LYS A 17 -12.195 -4.586 -14.205 1.00 0.00 O ATOM 267 CB LYS A 17 -9.161 -5.149 -14.813 1.00 0.00 C ATOM 268 CG LYS A 17 -9.691 -6.527 -14.444 1.00 0.00 C ATOM 269 CD LYS A 17 -8.994 -7.631 -15.226 1.00 0.00 C ATOM 270 CE LYS A 17 -9.421 -9.008 -14.738 1.00 0.00 C ATOM 271 NZ LYS A 17 -8.796 -10.103 -15.525 1.00 0.00 N ATOM 0 H LYS A 17 -10.329 -5.094 -12.364 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.328 -3.074 -14.281 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.267 -5.005 -15.888 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.095 -5.108 -14.589 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.552 -6.695 -13.376 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.763 -6.567 -14.636 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.226 -7.531 -16.286 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.914 -7.525 -15.124 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.152 -9.119 -13.688 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.506 -9.093 -14.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.116 -11.021 -15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.073 -10.015 -16.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.761 -10.040 -15.446 1.00 0.00 H new ATOM 285 N PRO A 18 -11.514 -2.847 -15.473 1.00 0.00 N ATOM 286 CA PRO A 18 -12.816 -2.624 -16.103 1.00 0.00 C ATOM 287 C PRO A 18 -13.283 -3.854 -16.868 1.00 0.00 C ATOM 288 O PRO A 18 -12.609 -4.322 -17.790 1.00 0.00 O ATOM 289 CB PRO A 18 -12.563 -1.452 -17.057 1.00 0.00 C ATOM 290 CG PRO A 18 -11.363 -0.768 -16.505 1.00 0.00 C ATOM 291 CD PRO A 18 -10.515 -1.854 -15.906 1.00 0.00 C ATOM 0 HA PRO A 18 -13.600 -2.419 -15.374 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.387 -1.801 -18.075 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.420 -0.780 -17.094 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.822 -0.235 -17.287 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.644 -0.031 -15.753 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.819 -2.271 -16.634 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.920 -1.488 -15.069 1.00 0.00 H new ATOM 299 N GLY A 19 -14.427 -4.382 -16.471 1.00 0.00 N ATOM 300 CA GLY A 19 -14.934 -5.595 -17.074 1.00 0.00 C ATOM 301 C GLY A 19 -15.388 -6.584 -16.025 1.00 0.00 C ATOM 302 O GLY A 19 -16.182 -7.481 -16.308 1.00 0.00 O ATOM 0 H GLY A 19 -15.018 -3.990 -15.737 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.767 -5.354 -17.734 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.158 -6.048 -17.692 1.00 0.00 H new ATOM 306 N LEU A 20 -14.871 -6.424 -14.813 1.00 0.00 N ATOM 307 CA LEU A 20 -15.284 -7.258 -13.693 1.00 0.00 C ATOM 308 C LEU A 20 -16.607 -6.771 -13.130 1.00 0.00 C ATOM 309 O LEU A 20 -16.901 -5.575 -13.163 1.00 0.00 O ATOM 310 CB LEU A 20 -14.229 -7.248 -12.583 1.00 0.00 C ATOM 311 CG LEU A 20 -12.850 -7.776 -12.977 1.00 0.00 C ATOM 312 CD1 LEU A 20 -11.911 -7.742 -11.781 1.00 0.00 C ATOM 313 CD2 LEU A 20 -12.952 -9.189 -13.534 1.00 0.00 C ATOM 0 H LEU A 20 -14.166 -5.725 -14.581 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.398 -8.277 -14.063 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.117 -6.226 -12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.601 -7.842 -11.748 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.445 -7.131 -13.757 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.932 -8.121 -12.076 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.811 -6.716 -11.426 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.316 -8.364 -10.983 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.959 -9.545 -13.808 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.378 -9.848 -12.778 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.593 -9.187 -14.416 1.00 0.00 H new ATOM 325 N SER A 21 -17.399 -7.693 -12.612 1.00 0.00 N ATOM 326 CA SER A 21 -18.661 -7.342 -11.994 1.00 0.00 C ATOM 327 C SER A 21 -18.419 -6.942 -10.540 1.00 0.00 C ATOM 328 O SER A 21 -17.311 -7.115 -10.020 1.00 0.00 O ATOM 329 CB SER A 21 -19.638 -8.523 -12.076 1.00 0.00 C ATOM 330 OG SER A 21 -20.924 -8.170 -11.594 1.00 0.00 O ATOM 0 H SER A 21 -17.188 -8.691 -12.608 1.00 0.00 H new ATOM 0 HA SER A 21 -19.103 -6.499 -12.525 1.00 0.00 H new ATOM 0 HB2 SER A 21 -19.716 -8.861 -13.109 1.00 0.00 H new ATOM 0 HB3 SER A 21 -19.248 -9.360 -11.496 1.00 0.00 H new ATOM 0 HG SER A 21 -21.522 -8.943 -11.662 1.00 0.00 H new ATOM 336 N ALA A 22 -19.451 -6.419 -9.885 1.00 0.00 N ATOM 337 CA ALA A 22 -19.342 -5.993 -8.494 1.00 0.00 C ATOM 338 C ALA A 22 -18.998 -7.170 -7.587 1.00 0.00 C ATOM 339 O ALA A 22 -18.465 -6.985 -6.493 1.00 0.00 O ATOM 340 CB ALA A 22 -20.631 -5.327 -8.038 1.00 0.00 C ATOM 0 H ALA A 22 -20.374 -6.280 -10.296 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.533 -5.266 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.532 -5.016 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -20.830 -4.455 -8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.457 -6.033 -8.128 1.00 0.00 H new ATOM 346 N LEU A 23 -19.303 -8.375 -8.053 1.00 0.00 N ATOM 347 CA LEU A 23 -18.998 -9.587 -7.307 1.00 0.00 C ATOM 348 C LEU A 23 -17.494 -9.848 -7.287 1.00 0.00 C ATOM 349 O LEU A 23 -16.913 -10.076 -6.222 1.00 0.00 O ATOM 350 CB LEU A 23 -19.730 -10.780 -7.921 1.00 0.00 C ATOM 351 CG LEU A 23 -21.254 -10.666 -7.928 1.00 0.00 C ATOM 352 CD1 LEU A 23 -21.875 -11.859 -8.636 1.00 0.00 C ATOM 353 CD2 LEU A 23 -21.780 -10.554 -6.505 1.00 0.00 C ATOM 0 H LEU A 23 -19.763 -8.538 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 23 -19.336 -9.452 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -19.385 -10.910 -8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -19.450 -11.680 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 23 -21.533 -9.764 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -22.961 -11.760 -8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -21.519 -11.897 -9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -21.592 -12.776 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -22.867 -10.473 -6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -21.492 -11.440 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -21.359 -9.668 -6.030 1.00 0.00 H new ATOM 365 N GLU A 24 -16.870 -9.816 -8.462 1.00 0.00 N ATOM 366 CA GLU A 24 -15.426 -9.996 -8.558 1.00 0.00 C ATOM 367 C GLU A 24 -14.704 -8.887 -7.804 1.00 0.00 C ATOM 368 O GLU A 24 -13.769 -9.148 -7.049 1.00 0.00 O ATOM 369 CB GLU A 24 -14.950 -10.016 -10.016 1.00 0.00 C ATOM 370 CG GLU A 24 -15.476 -11.185 -10.835 1.00 0.00 C ATOM 371 CD GLU A 24 -16.861 -10.941 -11.386 1.00 0.00 C ATOM 372 OE1 GLU A 24 -17.850 -11.278 -10.702 1.00 0.00 O ATOM 373 OE2 GLU A 24 -16.968 -10.409 -12.510 1.00 0.00 O ATOM 0 H GLU A 24 -17.339 -9.668 -9.355 1.00 0.00 H new ATOM 0 HA GLU A 24 -15.189 -10.961 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.254 -9.086 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.860 -10.041 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.792 -11.381 -11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.490 -12.080 -10.213 1.00 0.00 H new ATOM 380 N LYS A 25 -15.158 -7.652 -8.004 1.00 0.00 N ATOM 381 CA LYS A 25 -14.574 -6.496 -7.333 1.00 0.00 C ATOM 382 C LYS A 25 -14.651 -6.649 -5.819 1.00 0.00 C ATOM 383 O LYS A 25 -13.720 -6.286 -5.102 1.00 0.00 O ATOM 384 CB LYS A 25 -15.289 -5.217 -7.763 1.00 0.00 C ATOM 385 CG LYS A 25 -15.027 -4.826 -9.205 1.00 0.00 C ATOM 386 CD LYS A 25 -15.836 -3.608 -9.595 1.00 0.00 C ATOM 387 CE LYS A 25 -15.455 -3.106 -10.974 1.00 0.00 C ATOM 388 NZ LYS A 25 -16.326 -1.987 -11.402 1.00 0.00 N ATOM 0 H LYS A 25 -15.932 -7.427 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.525 -6.433 -7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.362 -5.346 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.977 -4.400 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.965 -4.620 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.278 -5.659 -9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.898 -3.854 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.680 -2.816 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.415 -2.778 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.529 -3.922 -11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.997 -1.622 -12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.305 -2.325 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.288 -1.227 -10.693 1.00 0.00 H new ATOM 402 N ASN A 26 -15.761 -7.203 -5.347 1.00 0.00 N ATOM 403 CA ASN A 26 -15.960 -7.447 -3.923 1.00 0.00 C ATOM 404 C ASN A 26 -14.853 -8.355 -3.393 1.00 0.00 C ATOM 405 O ASN A 26 -14.267 -8.090 -2.345 1.00 0.00 O ATOM 406 CB ASN A 26 -17.332 -8.089 -3.694 1.00 0.00 C ATOM 407 CG ASN A 26 -17.798 -8.050 -2.246 1.00 0.00 C ATOM 408 OD1 ASN A 26 -17.001 -8.093 -1.307 1.00 0.00 O ATOM 409 ND2 ASN A 26 -19.105 -7.958 -2.060 1.00 0.00 N ATOM 0 H ASN A 26 -16.543 -7.494 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.922 -6.499 -3.386 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -18.068 -7.580 -4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.297 -9.127 -4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -19.484 -7.920 -1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -19.733 -7.925 -2.863 1.00 0.00 H new ATOM 416 N ALA A 27 -14.548 -9.404 -4.151 1.00 0.00 N ATOM 417 CA ALA A 27 -13.517 -10.363 -3.768 1.00 0.00 C ATOM 418 C ALA A 27 -12.127 -9.734 -3.817 1.00 0.00 C ATOM 419 O ALA A 27 -11.261 -10.059 -2.999 1.00 0.00 O ATOM 420 CB ALA A 27 -13.581 -11.590 -4.666 1.00 0.00 C ATOM 0 H ALA A 27 -15.003 -9.612 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.705 -10.669 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.807 -12.298 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.559 -12.061 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.423 -11.291 -5.702 1.00 0.00 H new ATOM 426 N VAL A 28 -11.920 -8.838 -4.779 1.00 0.00 N ATOM 427 CA VAL A 28 -10.646 -8.138 -4.927 1.00 0.00 C ATOM 428 C VAL A 28 -10.345 -7.296 -3.690 1.00 0.00 C ATOM 429 O VAL A 28 -9.280 -7.419 -3.081 1.00 0.00 O ATOM 430 CB VAL A 28 -10.641 -7.218 -6.174 1.00 0.00 C ATOM 431 CG1 VAL A 28 -9.335 -6.448 -6.276 1.00 0.00 C ATOM 432 CG2 VAL A 28 -10.879 -8.018 -7.447 1.00 0.00 C ATOM 0 H VAL A 28 -12.622 -8.578 -5.471 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.877 -8.901 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.457 -6.504 -6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.357 -5.810 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.206 -5.832 -5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.504 -7.149 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.870 -7.347 -8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.092 -8.763 -7.561 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.846 -8.518 -7.387 1.00 0.00 H new ATOM 442 N ILE A 29 -11.302 -6.457 -3.318 1.00 0.00 N ATOM 443 CA ILE A 29 -11.139 -5.563 -2.180 1.00 0.00 C ATOM 444 C ILE A 29 -11.077 -6.360 -0.879 1.00 0.00 C ATOM 445 O ILE A 29 -10.334 -6.016 0.040 1.00 0.00 O ATOM 446 CB ILE A 29 -12.297 -4.544 -2.116 1.00 0.00 C ATOM 447 CG1 ILE A 29 -12.487 -3.880 -3.483 1.00 0.00 C ATOM 448 CG2 ILE A 29 -12.030 -3.493 -1.048 1.00 0.00 C ATOM 449 CD1 ILE A 29 -13.715 -3.002 -3.570 1.00 0.00 C ATOM 0 H ILE A 29 -12.203 -6.377 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.202 -5.020 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.212 -5.074 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.606 -3.280 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.551 -4.655 -4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.858 -2.785 -1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.933 -3.978 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.107 -2.963 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.781 -2.567 -4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.605 -3.601 -3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.645 -2.204 -2.830 1.00 0.00 H new ATOM 461 N LYS A 30 -11.848 -7.438 -0.824 1.00 0.00 N ATOM 462 CA LYS A 30 -11.857 -8.335 0.328 1.00 0.00 C ATOM 463 C LYS A 30 -10.460 -8.901 0.592 1.00 0.00 C ATOM 464 O LYS A 30 -9.992 -8.937 1.733 1.00 0.00 O ATOM 465 CB LYS A 30 -12.845 -9.473 0.068 1.00 0.00 C ATOM 466 CG LYS A 30 -13.021 -10.437 1.227 1.00 0.00 C ATOM 467 CD LYS A 30 -13.992 -11.546 0.856 1.00 0.00 C ATOM 468 CE LYS A 30 -14.219 -12.512 2.006 1.00 0.00 C ATOM 469 NZ LYS A 30 -15.117 -13.629 1.613 1.00 0.00 N ATOM 0 H LYS A 30 -12.483 -7.716 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.164 -7.774 1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.816 -9.044 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.511 -10.033 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.057 -10.866 1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.390 -9.900 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.944 -11.109 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.607 -12.092 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.262 -12.914 2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.651 -11.977 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.250 -14.269 2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.038 -13.247 1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.692 -14.154 0.822 1.00 0.00 H new ATOM 483 N ALA A 31 -9.795 -9.324 -0.476 1.00 0.00 N ATOM 484 CA ALA A 31 -8.449 -9.867 -0.373 1.00 0.00 C ATOM 485 C ALA A 31 -7.474 -8.809 0.129 1.00 0.00 C ATOM 486 O ALA A 31 -6.564 -9.104 0.907 1.00 0.00 O ATOM 487 CB ALA A 31 -7.997 -10.410 -1.718 1.00 0.00 C ATOM 0 H ALA A 31 -10.168 -9.301 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.463 -10.684 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.988 -10.813 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.676 -11.200 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.002 -9.607 -2.455 1.00 0.00 H new ATOM 493 N ALA A 32 -7.683 -7.571 -0.311 1.00 0.00 N ATOM 494 CA ALA A 32 -6.845 -6.457 0.111 1.00 0.00 C ATOM 495 C ALA A 32 -6.946 -6.246 1.620 1.00 0.00 C ATOM 496 O ALA A 32 -5.942 -6.002 2.287 1.00 0.00 O ATOM 497 CB ALA A 32 -7.231 -5.189 -0.640 1.00 0.00 C ATOM 0 H ALA A 32 -8.427 -7.316 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.808 -6.695 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.596 -4.365 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.100 -5.346 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.274 -4.947 -0.434 1.00 0.00 H new ATOM 503 N TYR A 33 -8.162 -6.363 2.157 1.00 0.00 N ATOM 504 CA TYR A 33 -8.373 -6.243 3.599 1.00 0.00 C ATOM 505 C TYR A 33 -7.575 -7.295 4.357 1.00 0.00 C ATOM 506 O TYR A 33 -7.002 -7.008 5.409 1.00 0.00 O ATOM 507 CB TYR A 33 -9.853 -6.374 3.961 1.00 0.00 C ATOM 508 CG TYR A 33 -10.687 -5.174 3.587 1.00 0.00 C ATOM 509 CD1 TYR A 33 -10.439 -3.930 4.156 1.00 0.00 C ATOM 510 CD2 TYR A 33 -11.726 -5.284 2.677 1.00 0.00 C ATOM 511 CE1 TYR A 33 -11.206 -2.830 3.826 1.00 0.00 C ATOM 512 CE2 TYR A 33 -12.496 -4.190 2.340 1.00 0.00 C ATOM 513 CZ TYR A 33 -12.233 -2.966 2.915 1.00 0.00 C ATOM 514 OH TYR A 33 -13.002 -1.877 2.581 1.00 0.00 O ATOM 0 H TYR A 33 -9.010 -6.540 1.618 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.027 -5.251 3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.261 -7.255 3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.940 -6.543 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.634 -3.822 4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.936 -6.242 2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.003 -1.870 4.278 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.302 -4.293 1.628 1.00 0.00 H new ATOM 0 HH TYR A 33 -12.524 -1.328 1.925 1.00 0.00 H new ATOM 524 N ARG A 34 -7.535 -8.510 3.826 1.00 0.00 N ATOM 525 CA ARG A 34 -6.780 -9.581 4.464 1.00 0.00 C ATOM 526 C ARG A 34 -5.281 -9.308 4.399 1.00 0.00 C ATOM 527 O ARG A 34 -4.601 -9.320 5.416 1.00 0.00 O ATOM 528 CB ARG A 34 -7.081 -10.938 3.826 1.00 0.00 C ATOM 529 CG ARG A 34 -8.502 -11.425 4.052 1.00 0.00 C ATOM 530 CD ARG A 34 -8.603 -12.930 3.853 1.00 0.00 C ATOM 531 NE ARG A 34 -9.968 -13.425 4.033 1.00 0.00 N ATOM 532 CZ ARG A 34 -10.519 -13.701 5.215 1.00 0.00 C ATOM 533 NH1 ARG A 34 -9.847 -13.490 6.340 1.00 0.00 N ATOM 534 NH2 ARG A 34 -11.753 -14.186 5.272 1.00 0.00 N ATOM 0 H ARG A 34 -8.011 -8.777 2.964 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.092 -9.612 5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.896 -10.873 2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.387 -11.678 4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.822 -11.166 5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.178 -10.918 3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.256 -13.186 2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.941 -13.432 4.558 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.536 -13.569 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.900 -13.113 6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.278 -13.705 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.278 -14.347 4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.176 -14.398 6.175 1.00 0.00 H new ATOM 548 N GLN A 35 -4.780 -9.031 3.206 1.00 0.00 N ATOM 549 CA GLN A 35 -3.343 -8.868 3.005 1.00 0.00 C ATOM 550 C GLN A 35 -2.800 -7.623 3.711 1.00 0.00 C ATOM 551 O GLN A 35 -1.650 -7.603 4.153 1.00 0.00 O ATOM 552 CB GLN A 35 -3.014 -8.804 1.512 1.00 0.00 C ATOM 553 CG GLN A 35 -3.451 -10.038 0.735 1.00 0.00 C ATOM 554 CD GLN A 35 -2.853 -11.330 1.268 1.00 0.00 C ATOM 555 OE1 GLN A 35 -1.646 -11.255 1.816 1.00 0.00 O flip ATOM 556 NE2 GLN A 35 -3.467 -12.392 1.178 1.00 0.00 N flip ATOM 0 H GLN A 35 -5.342 -8.914 2.363 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.858 -9.739 3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.494 -7.925 1.081 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.939 -8.672 1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.538 -10.110 0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.167 -9.919 -0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.393 -12.411 0.751 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.050 -13.254 1.531 1.00 0.00 H new ATOM 565 N ILE A 36 -3.609 -6.578 3.799 1.00 0.00 N ATOM 566 CA ILE A 36 -3.159 -5.334 4.408 1.00 0.00 C ATOM 567 C ILE A 36 -3.459 -5.275 5.909 1.00 0.00 C ATOM 568 O ILE A 36 -2.605 -4.876 6.699 1.00 0.00 O ATOM 569 CB ILE A 36 -3.759 -4.102 3.694 1.00 0.00 C ATOM 570 CG1 ILE A 36 -3.287 -4.075 2.237 1.00 0.00 C ATOM 571 CG2 ILE A 36 -3.366 -2.813 4.410 1.00 0.00 C ATOM 572 CD1 ILE A 36 -3.787 -2.885 1.452 1.00 0.00 C ATOM 0 H ILE A 36 -4.571 -6.565 3.460 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.076 -5.312 4.287 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.846 -4.176 3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.197 -4.078 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.616 -4.989 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.800 -1.960 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.736 -2.839 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.280 -2.718 4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.410 -2.938 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.877 -2.891 1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.436 -1.966 1.921 1.00 0.00 H new ATOM 584 N PHE A 37 -4.654 -5.683 6.306 1.00 0.00 N ATOM 585 CA PHE A 37 -5.067 -5.536 7.699 1.00 0.00 C ATOM 586 C PHE A 37 -5.106 -6.868 8.442 1.00 0.00 C ATOM 587 O PHE A 37 -4.861 -6.909 9.645 1.00 0.00 O ATOM 588 CB PHE A 37 -6.444 -4.870 7.783 1.00 0.00 C ATOM 589 CG PHE A 37 -6.468 -3.454 7.286 1.00 0.00 C ATOM 590 CD1 PHE A 37 -5.886 -2.438 8.028 1.00 0.00 C ATOM 591 CD2 PHE A 37 -7.073 -3.139 6.080 1.00 0.00 C ATOM 592 CE1 PHE A 37 -5.903 -1.134 7.574 1.00 0.00 C ATOM 593 CE2 PHE A 37 -7.094 -1.837 5.622 1.00 0.00 C ATOM 594 CZ PHE A 37 -6.508 -0.833 6.370 1.00 0.00 C ATOM 0 H PHE A 37 -5.349 -6.113 5.696 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.318 -4.907 8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.157 -5.459 7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.782 -4.886 8.819 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.414 -2.669 8.972 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.533 -3.920 5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.444 -0.351 8.160 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.568 -1.603 4.680 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.523 0.186 6.013 1.00 0.00 H new ATOM 604 N GLU A 38 -5.423 -7.949 7.725 1.00 0.00 N ATOM 605 CA GLU A 38 -5.646 -9.267 8.337 1.00 0.00 C ATOM 606 C GLU A 38 -6.860 -9.241 9.259 1.00 0.00 C ATOM 607 O GLU A 38 -7.069 -10.154 10.061 1.00 0.00 O ATOM 608 CB GLU A 38 -4.406 -9.751 9.096 1.00 0.00 C ATOM 609 CG GLU A 38 -3.499 -10.638 8.263 1.00 0.00 C ATOM 610 CD GLU A 38 -4.179 -11.932 7.862 1.00 0.00 C ATOM 611 OE1 GLU A 38 -4.917 -11.937 6.858 1.00 0.00 O ATOM 612 OE2 GLU A 38 -3.990 -12.951 8.560 1.00 0.00 O ATOM 0 H GLU A 38 -5.532 -7.939 6.711 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.840 -9.973 7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.839 -8.886 9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.723 -10.299 9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.189 -10.099 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.595 -10.864 8.828 1.00 0.00 H new ATOM 720 N TYR A 45 -13.956 2.639 13.098 1.00 0.00 N ATOM 721 CA TYR A 45 -13.687 3.150 11.762 1.00 0.00 C ATOM 722 C TYR A 45 -14.949 3.030 10.912 1.00 0.00 C ATOM 723 O TYR A 45 -15.590 4.031 10.594 1.00 0.00 O ATOM 724 CB TYR A 45 -12.523 2.368 11.139 1.00 0.00 C ATOM 725 CG TYR A 45 -11.439 2.033 12.145 1.00 0.00 C ATOM 726 CD1 TYR A 45 -10.501 2.981 12.538 1.00 0.00 C ATOM 727 CD2 TYR A 45 -11.375 0.768 12.725 1.00 0.00 C ATOM 728 CE1 TYR A 45 -9.529 2.677 13.477 1.00 0.00 C ATOM 729 CE2 TYR A 45 -10.411 0.461 13.666 1.00 0.00 C ATOM 730 CZ TYR A 45 -9.491 1.415 14.037 1.00 0.00 C ATOM 731 OH TYR A 45 -8.532 1.108 14.979 1.00 0.00 O ATOM 0 HA TYR A 45 -13.404 4.201 11.812 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.904 1.446 10.700 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.091 2.953 10.327 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.531 3.970 12.104 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -12.091 0.014 12.434 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.805 3.423 13.770 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.380 -0.524 14.109 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.646 0.180 15.272 1.00 0.00 H new ATOM 741 N SER A 46 -15.292 1.788 10.568 1.00 0.00 N ATOM 742 CA SER A 46 -16.563 1.439 9.922 1.00 0.00 C ATOM 743 C SER A 46 -16.804 2.195 8.605 1.00 0.00 C ATOM 744 O SER A 46 -16.487 1.687 7.529 1.00 0.00 O ATOM 745 CB SER A 46 -17.731 1.663 10.891 1.00 0.00 C ATOM 746 OG SER A 46 -18.941 1.139 10.372 1.00 0.00 O ATOM 0 H SER A 46 -14.688 0.983 10.732 1.00 0.00 H new ATOM 0 HA SER A 46 -16.500 0.382 9.662 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.508 1.190 11.847 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.847 2.730 11.083 1.00 0.00 H new ATOM 0 HG SER A 46 -19.666 1.295 11.012 1.00 0.00 H new ATOM 752 N GLN A 47 -17.341 3.414 8.698 1.00 0.00 N ATOM 753 CA GLN A 47 -17.787 4.158 7.523 1.00 0.00 C ATOM 754 C GLN A 47 -16.622 4.498 6.598 1.00 0.00 C ATOM 755 O GLN A 47 -16.779 4.524 5.381 1.00 0.00 O ATOM 756 CB GLN A 47 -18.529 5.435 7.937 1.00 0.00 C ATOM 757 CG GLN A 47 -17.673 6.446 8.684 1.00 0.00 C ATOM 758 CD GLN A 47 -18.433 7.711 9.024 1.00 0.00 C ATOM 759 OE1 GLN A 47 -19.025 7.827 10.098 1.00 0.00 O ATOM 760 NE2 GLN A 47 -18.440 8.660 8.103 1.00 0.00 N ATOM 0 H GLN A 47 -17.477 3.907 9.581 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.475 3.516 6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.935 5.910 7.044 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -19.377 5.161 8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -17.299 5.993 9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.804 6.700 8.077 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.936 8.524 7.226 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.949 9.528 8.269 1.00 0.00 H new ATOM 769 N SER A 48 -15.454 4.749 7.179 1.00 0.00 N ATOM 770 CA SER A 48 -14.265 5.059 6.393 1.00 0.00 C ATOM 771 C SER A 48 -13.835 3.840 5.577 1.00 0.00 C ATOM 772 O SER A 48 -13.233 3.967 4.511 1.00 0.00 O ATOM 773 CB SER A 48 -13.133 5.507 7.322 1.00 0.00 C ATOM 774 OG SER A 48 -13.557 6.567 8.164 1.00 0.00 O ATOM 0 H SER A 48 -15.305 4.744 8.188 1.00 0.00 H new ATOM 0 HA SER A 48 -14.497 5.869 5.702 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.802 4.665 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.277 5.829 6.729 1.00 0.00 H new ATOM 0 HG SER A 48 -12.818 6.835 8.749 1.00 0.00 H new ATOM 780 N ILE A 49 -14.184 2.663 6.074 1.00 0.00 N ATOM 781 CA ILE A 49 -13.815 1.412 5.432 1.00 0.00 C ATOM 782 C ILE A 49 -14.653 1.192 4.175 1.00 0.00 C ATOM 783 O ILE A 49 -14.116 1.006 3.081 1.00 0.00 O ATOM 784 CB ILE A 49 -14.010 0.229 6.395 1.00 0.00 C ATOM 785 CG1 ILE A 49 -13.213 0.466 7.677 1.00 0.00 C ATOM 786 CG2 ILE A 49 -13.589 -1.078 5.736 1.00 0.00 C ATOM 787 CD1 ILE A 49 -13.458 -0.583 8.732 1.00 0.00 C ATOM 0 H ILE A 49 -14.728 2.549 6.929 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.762 1.472 5.155 1.00 0.00 H new ATOM 0 HB ILE A 49 -15.068 0.153 6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.150 0.489 7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.470 1.445 8.081 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.735 -1.902 6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.193 -1.247 4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.537 -1.022 5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.862 -0.356 9.616 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.515 -0.591 8.999 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -13.174 -1.562 8.345 1.00 0.00 H new ATOM 799 N SER A 50 -15.970 1.241 4.339 1.00 0.00 N ATOM 800 CA SER A 50 -16.896 1.033 3.235 1.00 0.00 C ATOM 801 C SER A 50 -16.790 2.162 2.210 1.00 0.00 C ATOM 802 O SER A 50 -16.996 1.952 1.011 1.00 0.00 O ATOM 803 CB SER A 50 -18.317 0.932 3.784 1.00 0.00 C ATOM 804 OG SER A 50 -18.508 1.854 4.846 1.00 0.00 O ATOM 0 H SER A 50 -16.422 1.425 5.235 1.00 0.00 H new ATOM 0 HA SER A 50 -16.639 0.104 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.035 1.131 2.989 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.505 -0.082 4.137 1.00 0.00 H new ATOM 0 HG SER A 50 -19.424 1.777 5.185 1.00 0.00 H new ATOM 810 N TYR A 51 -16.463 3.357 2.696 1.00 0.00 N ATOM 811 CA TYR A 51 -16.246 4.510 1.831 1.00 0.00 C ATOM 812 C TYR A 51 -15.133 4.213 0.832 1.00 0.00 C ATOM 813 O TYR A 51 -15.341 4.281 -0.378 1.00 0.00 O ATOM 814 CB TYR A 51 -15.886 5.740 2.674 1.00 0.00 C ATOM 815 CG TYR A 51 -15.782 7.029 1.886 1.00 0.00 C ATOM 816 CD1 TYR A 51 -16.920 7.744 1.544 1.00 0.00 C ATOM 817 CD2 TYR A 51 -14.547 7.537 1.498 1.00 0.00 C ATOM 818 CE1 TYR A 51 -16.834 8.929 0.839 1.00 0.00 C ATOM 819 CE2 TYR A 51 -14.455 8.721 0.789 1.00 0.00 C ATOM 820 CZ TYR A 51 -15.602 9.413 0.464 1.00 0.00 C ATOM 821 OH TYR A 51 -15.518 10.599 -0.234 1.00 0.00 O ATOM 0 H TYR A 51 -16.342 3.551 3.690 1.00 0.00 H new ATOM 0 HA TYR A 51 -17.164 4.717 1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -16.638 5.864 3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.935 5.557 3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.890 7.368 1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -13.646 6.999 1.754 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -17.731 9.474 0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -13.489 9.102 0.491 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.578 10.802 -0.422 1.00 0.00 H new ATOM 831 N LEU A 52 -13.960 3.856 1.350 1.00 0.00 N ATOM 832 CA LEU A 52 -12.805 3.567 0.506 1.00 0.00 C ATOM 833 C LEU A 52 -13.075 2.369 -0.396 1.00 0.00 C ATOM 834 O LEU A 52 -12.654 2.349 -1.553 1.00 0.00 O ATOM 835 CB LEU A 52 -11.565 3.315 1.365 1.00 0.00 C ATOM 836 CG LEU A 52 -11.083 4.521 2.175 1.00 0.00 C ATOM 837 CD1 LEU A 52 -9.878 4.146 3.023 1.00 0.00 C ATOM 838 CD2 LEU A 52 -10.745 5.685 1.254 1.00 0.00 C ATOM 0 H LEU A 52 -13.785 3.760 2.350 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.623 4.436 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.778 2.496 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.754 2.984 0.717 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.889 4.832 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.549 5.015 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.152 3.345 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.069 3.808 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.404 6.533 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.956 5.386 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.632 5.971 0.689 1.00 0.00 H new ATOM 850 N GLU A 53 -13.790 1.384 0.136 1.00 0.00 N ATOM 851 CA GLU A 53 -14.170 0.206 -0.630 1.00 0.00 C ATOM 852 C GLU A 53 -14.965 0.601 -1.872 1.00 0.00 C ATOM 853 O GLU A 53 -14.695 0.126 -2.974 1.00 0.00 O ATOM 854 CB GLU A 53 -15.007 -0.740 0.233 1.00 0.00 C ATOM 855 CG GLU A 53 -15.436 -2.001 -0.500 1.00 0.00 C ATOM 856 CD GLU A 53 -16.468 -2.804 0.262 1.00 0.00 C ATOM 857 OE1 GLU A 53 -17.626 -2.349 0.355 1.00 0.00 O ATOM 858 OE2 GLU A 53 -16.135 -3.905 0.750 1.00 0.00 O ATOM 0 H GLU A 53 -14.119 1.380 1.101 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.258 -0.302 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.432 -1.019 1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.894 -0.212 0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.842 -1.728 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.561 -2.624 -0.683 1.00 0.00 H new ATOM 865 N SER A 54 -15.940 1.480 -1.688 1.00 0.00 N ATOM 866 CA SER A 54 -16.788 1.916 -2.785 1.00 0.00 C ATOM 867 C SER A 54 -15.996 2.746 -3.797 1.00 0.00 C ATOM 868 O SER A 54 -16.193 2.616 -5.006 1.00 0.00 O ATOM 869 CB SER A 54 -17.976 2.718 -2.246 1.00 0.00 C ATOM 870 OG SER A 54 -18.849 3.113 -3.290 1.00 0.00 O ATOM 0 H SER A 54 -16.162 1.905 -0.788 1.00 0.00 H new ATOM 0 HA SER A 54 -17.164 1.031 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.523 2.117 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.612 3.601 -1.720 1.00 0.00 H new ATOM 0 HG SER A 54 -19.598 3.622 -2.915 1.00 0.00 H new ATOM 876 N GLN A 55 -15.085 3.579 -3.301 1.00 0.00 N ATOM 877 CA GLN A 55 -14.305 4.466 -4.164 1.00 0.00 C ATOM 878 C GLN A 55 -13.441 3.669 -5.139 1.00 0.00 C ATOM 879 O GLN A 55 -13.330 4.020 -6.316 1.00 0.00 O ATOM 880 CB GLN A 55 -13.420 5.401 -3.331 1.00 0.00 C ATOM 881 CG GLN A 55 -14.196 6.245 -2.329 1.00 0.00 C ATOM 882 CD GLN A 55 -15.239 7.136 -2.980 1.00 0.00 C ATOM 883 OE1 GLN A 55 -14.933 7.654 -4.161 1.00 0.00 O flip ATOM 884 NE2 GLN A 55 -16.301 7.383 -2.409 1.00 0.00 N flip ATOM 0 H GLN A 55 -14.868 3.659 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.011 5.067 -4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.680 4.806 -2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.872 6.062 -4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -14.686 5.587 -1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.497 6.865 -1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.501 6.965 -1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.981 8.006 -2.845 1.00 0.00 H new ATOM 893 N VAL A 56 -12.838 2.592 -4.650 1.00 0.00 N ATOM 894 CA VAL A 56 -11.985 1.758 -5.489 1.00 0.00 C ATOM 895 C VAL A 56 -12.826 0.789 -6.323 1.00 0.00 C ATOM 896 O VAL A 56 -12.415 0.365 -7.401 1.00 0.00 O ATOM 897 CB VAL A 56 -10.941 0.982 -4.646 1.00 0.00 C ATOM 898 CG1 VAL A 56 -11.610 -0.007 -3.703 1.00 0.00 C ATOM 899 CG2 VAL A 56 -9.933 0.276 -5.542 1.00 0.00 C ATOM 0 H VAL A 56 -12.923 2.277 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.443 2.419 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.405 1.710 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.848 -0.533 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.272 0.529 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.189 -0.726 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.212 -0.261 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.453 -0.430 -6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.411 1.012 -6.153 1.00 0.00 H new ATOM 909 N ARG A 57 -14.019 0.463 -5.830 1.00 0.00 N ATOM 910 CA ARG A 57 -14.917 -0.441 -6.539 1.00 0.00 C ATOM 911 C ARG A 57 -15.435 0.221 -7.809 1.00 0.00 C ATOM 912 O ARG A 57 -15.500 -0.404 -8.870 1.00 0.00 O ATOM 913 CB ARG A 57 -16.106 -0.825 -5.660 1.00 0.00 C ATOM 914 CG ARG A 57 -16.756 -2.140 -6.059 1.00 0.00 C ATOM 915 CD ARG A 57 -18.185 -2.259 -5.542 1.00 0.00 C ATOM 916 NE ARG A 57 -18.393 -1.561 -4.272 1.00 0.00 N ATOM 917 CZ ARG A 57 -18.151 -2.087 -3.070 1.00 0.00 C ATOM 918 NH1 ARG A 57 -17.608 -3.296 -2.962 1.00 0.00 N ATOM 919 NH2 ARG A 57 -18.445 -1.397 -1.978 1.00 0.00 N ATOM 0 H ARG A 57 -14.384 0.812 -4.944 1.00 0.00 H new ATOM 0 HA ARG A 57 -14.355 -1.339 -6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.775 -0.892 -4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.852 -0.032 -5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -16.757 -2.228 -7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -16.162 -2.968 -5.673 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.870 -1.857 -6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.434 -3.313 -5.416 1.00 0.00 H new ATOM 0 HE ARG A 57 -18.748 -0.605 -4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.374 -3.827 -3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.425 -3.693 -2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.855 -0.466 -2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.261 -1.796 -1.058 1.00 0.00 H new ATOM 933 N ASN A 58 -15.809 1.490 -7.686 1.00 0.00 N ATOM 934 CA ASN A 58 -16.336 2.242 -8.816 1.00 0.00 C ATOM 935 C ASN A 58 -15.221 2.585 -9.793 1.00 0.00 C ATOM 936 O ASN A 58 -15.416 2.548 -11.008 1.00 0.00 O ATOM 937 CB ASN A 58 -17.028 3.526 -8.346 1.00 0.00 C ATOM 938 CG ASN A 58 -18.249 3.259 -7.486 1.00 0.00 C ATOM 939 OD1 ASN A 58 -18.902 2.223 -7.609 1.00 0.00 O ATOM 940 ND2 ASN A 58 -18.568 4.197 -6.607 1.00 0.00 N ATOM 0 H ASN A 58 -15.757 2.018 -6.815 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.072 1.616 -9.320 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.317 4.130 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.324 4.112 -9.216 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.380 4.074 -6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.002 5.042 -6.535 1.00 0.00 H new ATOM 947 N GLY A 59 -14.049 2.894 -9.259 1.00 0.00 N ATOM 948 CA GLY A 59 -12.918 3.210 -10.108 1.00 0.00 C ATOM 949 C GLY A 59 -12.468 4.650 -9.975 1.00 0.00 C ATOM 950 O GLY A 59 -11.762 5.163 -10.841 1.00 0.00 O ATOM 0 H GLY A 59 -13.860 2.932 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.087 2.550 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.183 3.011 -11.147 1.00 0.00 H new ATOM 954 N ASP A 60 -12.886 5.310 -8.899 1.00 0.00 N ATOM 955 CA ASP A 60 -12.435 6.672 -8.621 1.00 0.00 C ATOM 956 C ASP A 60 -10.957 6.654 -8.275 1.00 0.00 C ATOM 957 O ASP A 60 -10.202 7.558 -8.633 1.00 0.00 O ATOM 958 CB ASP A 60 -13.231 7.293 -7.468 1.00 0.00 C ATOM 959 CG ASP A 60 -14.663 7.611 -7.844 1.00 0.00 C ATOM 960 OD1 ASP A 60 -15.459 6.667 -8.033 1.00 0.00 O ATOM 961 OD2 ASP A 60 -15.005 8.809 -7.937 1.00 0.00 O ATOM 0 H ASP A 60 -13.532 4.928 -8.209 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.599 7.279 -9.511 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.227 6.608 -6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.735 8.207 -7.142 1.00 0.00 H new ATOM 966 N ILE A 61 -10.562 5.608 -7.572 1.00 0.00 N ATOM 967 CA ILE A 61 -9.166 5.365 -7.264 1.00 0.00 C ATOM 968 C ILE A 61 -8.810 3.940 -7.651 1.00 0.00 C ATOM 969 O ILE A 61 -9.665 3.054 -7.622 1.00 0.00 O ATOM 970 CB ILE A 61 -8.846 5.580 -5.766 1.00 0.00 C ATOM 971 CG1 ILE A 61 -9.754 4.714 -4.886 1.00 0.00 C ATOM 972 CG2 ILE A 61 -8.981 7.051 -5.400 1.00 0.00 C ATOM 973 CD1 ILE A 61 -9.440 4.799 -3.407 1.00 0.00 C ATOM 0 H ILE A 61 -11.200 4.904 -7.199 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.574 6.082 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.815 5.275 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.790 5.013 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.670 3.675 -5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.753 7.185 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.287 7.640 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.001 7.383 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.125 4.158 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.415 4.471 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.553 5.829 -3.070 1.00 0.00 H new ATOM 985 N SER A 62 -7.566 3.721 -8.032 1.00 0.00 N ATOM 986 CA SER A 62 -7.121 2.390 -8.389 1.00 0.00 C ATOM 987 C SER A 62 -6.594 1.685 -7.147 1.00 0.00 C ATOM 988 O SER A 62 -6.592 2.257 -6.052 1.00 0.00 O ATOM 989 CB SER A 62 -6.043 2.455 -9.480 1.00 0.00 C ATOM 990 OG SER A 62 -5.749 1.165 -9.994 1.00 0.00 O ATOM 0 H SER A 62 -6.850 4.444 -8.102 1.00 0.00 H new ATOM 0 HA SER A 62 -7.963 1.824 -8.788 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.380 3.103 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.136 2.901 -9.072 1.00 0.00 H new ATOM 0 HG SER A 62 -4.874 0.873 -9.664 1.00 0.00 H new ATOM 996 N MET A 63 -6.144 0.450 -7.313 1.00 0.00 N ATOM 997 CA MET A 63 -5.609 -0.318 -6.200 1.00 0.00 C ATOM 998 C MET A 63 -4.348 0.353 -5.671 1.00 0.00 C ATOM 999 O MET A 63 -4.022 0.251 -4.488 1.00 0.00 O ATOM 1000 CB MET A 63 -5.311 -1.754 -6.635 1.00 0.00 C ATOM 1001 CG MET A 63 -4.973 -2.682 -5.478 1.00 0.00 C ATOM 1002 SD MET A 63 -6.272 -2.724 -4.220 1.00 0.00 S ATOM 1003 CE MET A 63 -7.688 -3.227 -5.196 1.00 0.00 C ATOM 0 H MET A 63 -6.139 -0.041 -8.207 1.00 0.00 H new ATOM 0 HA MET A 63 -6.352 -0.352 -5.403 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.176 -2.150 -7.167 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.479 -1.746 -7.339 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.810 -3.690 -5.861 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.038 -2.360 -5.019 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.490 -3.552 -4.533 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.033 -2.386 -5.797 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.404 -4.049 -5.852 1.00 0.00 H new ATOM 1013 N LYS A 64 -3.663 1.058 -6.563 1.00 0.00 N ATOM 1014 CA LYS A 64 -2.482 1.829 -6.208 1.00 0.00 C ATOM 1015 C LYS A 64 -2.816 2.846 -5.120 1.00 0.00 C ATOM 1016 O LYS A 64 -2.097 2.972 -4.132 1.00 0.00 O ATOM 1017 CB LYS A 64 -1.945 2.552 -7.445 1.00 0.00 C ATOM 1018 CG LYS A 64 -0.575 3.186 -7.255 1.00 0.00 C ATOM 1019 CD LYS A 64 -0.116 3.879 -8.528 1.00 0.00 C ATOM 1020 CE LYS A 64 1.352 4.269 -8.462 1.00 0.00 C ATOM 1021 NZ LYS A 64 1.827 4.865 -9.740 1.00 0.00 N ATOM 0 H LYS A 64 -3.911 1.110 -7.551 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.721 1.148 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.893 1.843 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.654 3.327 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.613 3.906 -6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.148 2.421 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.278 3.219 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.721 4.770 -8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.502 4.982 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.951 3.389 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.801 5.210 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.803 4.144 -10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.209 5.659 -10.004 1.00 0.00 H new ATOM 1035 N GLU A 65 -3.922 3.557 -5.303 1.00 0.00 N ATOM 1036 CA GLU A 65 -4.358 4.558 -4.337 1.00 0.00 C ATOM 1037 C GLU A 65 -4.948 3.892 -3.105 1.00 0.00 C ATOM 1038 O GLU A 65 -4.722 4.340 -1.984 1.00 0.00 O ATOM 1039 CB GLU A 65 -5.397 5.512 -4.945 1.00 0.00 C ATOM 1040 CG GLU A 65 -4.847 6.459 -6.001 1.00 0.00 C ATOM 1041 CD GLU A 65 -4.355 5.740 -7.235 1.00 0.00 C ATOM 1042 OE1 GLU A 65 -5.199 5.241 -8.011 1.00 0.00 O ATOM 1043 OE2 GLU A 65 -3.124 5.656 -7.423 1.00 0.00 O ATOM 0 H GLU A 65 -4.534 3.459 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.479 5.136 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.198 4.921 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.842 6.102 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.624 7.169 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.028 7.037 -5.573 1.00 0.00 H new ATOM 1050 N PHE A 66 -5.697 2.815 -3.322 1.00 0.00 N ATOM 1051 CA PHE A 66 -6.359 2.105 -2.236 1.00 0.00 C ATOM 1052 C PHE A 66 -5.339 1.580 -1.226 1.00 0.00 C ATOM 1053 O PHE A 66 -5.393 1.921 -0.044 1.00 0.00 O ATOM 1054 CB PHE A 66 -7.201 0.954 -2.794 1.00 0.00 C ATOM 1055 CG PHE A 66 -8.090 0.300 -1.776 1.00 0.00 C ATOM 1056 CD1 PHE A 66 -9.062 1.035 -1.121 1.00 0.00 C ATOM 1057 CD2 PHE A 66 -7.960 -1.048 -1.482 1.00 0.00 C ATOM 1058 CE1 PHE A 66 -9.888 0.440 -0.189 1.00 0.00 C ATOM 1059 CE2 PHE A 66 -8.784 -1.650 -0.550 1.00 0.00 C ATOM 1060 CZ PHE A 66 -9.750 -0.903 0.097 1.00 0.00 C ATOM 0 H PHE A 66 -5.860 2.414 -4.246 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.017 2.804 -1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.817 1.330 -3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.535 0.202 -3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.176 2.086 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.207 -1.635 -1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -10.642 1.025 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.673 -2.701 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 66 -10.396 -1.370 0.826 1.00 0.00 H new ATOM 1070 N VAL A 67 -4.394 0.779 -1.708 1.00 0.00 N ATOM 1071 CA VAL A 67 -3.361 0.201 -0.851 1.00 0.00 C ATOM 1072 C VAL A 67 -2.508 1.295 -0.217 1.00 0.00 C ATOM 1073 O VAL A 67 -2.209 1.253 0.978 1.00 0.00 O ATOM 1074 CB VAL A 67 -2.455 -0.771 -1.644 1.00 0.00 C ATOM 1075 CG1 VAL A 67 -1.309 -1.284 -0.784 1.00 0.00 C ATOM 1076 CG2 VAL A 67 -3.275 -1.930 -2.187 1.00 0.00 C ATOM 0 H VAL A 67 -4.321 0.514 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.866 -0.358 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.023 -0.223 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.691 -1.964 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.703 -0.443 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.711 -1.812 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.626 -2.606 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.736 -2.469 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.052 -1.547 -2.849 1.00 0.00 H new ATOM 1086 N ARG A 68 -2.140 2.285 -1.021 1.00 0.00 N ATOM 1087 CA ARG A 68 -1.314 3.391 -0.552 1.00 0.00 C ATOM 1088 C ARG A 68 -2.012 4.174 0.562 1.00 0.00 C ATOM 1089 O ARG A 68 -1.395 4.506 1.573 1.00 0.00 O ATOM 1090 CB ARG A 68 -0.956 4.305 -1.728 1.00 0.00 C ATOM 1091 CG ARG A 68 -0.250 5.596 -1.342 1.00 0.00 C ATOM 1092 CD ARG A 68 0.403 6.255 -2.550 1.00 0.00 C ATOM 1093 NE ARG A 68 -0.488 6.309 -3.714 1.00 0.00 N ATOM 1094 CZ ARG A 68 -0.286 7.111 -4.761 1.00 0.00 C ATOM 1095 NH1 ARG A 68 0.709 7.991 -4.743 1.00 0.00 N ATOM 1096 NH2 ARG A 68 -1.089 7.048 -5.821 1.00 0.00 N ATOM 0 H ARG A 68 -2.402 2.345 -2.005 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.395 2.984 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.319 3.752 -2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.870 4.555 -2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.966 6.284 -0.893 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.507 5.387 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.710 7.267 -2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.307 5.706 -2.814 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.306 5.700 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.319 8.054 -3.928 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.863 8.604 -5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.863 6.384 -5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.930 7.664 -6.619 1.00 0.00 H new ATOM 1110 N ARG A 69 -3.299 4.443 0.387 1.00 0.00 N ATOM 1111 CA ARG A 69 -4.055 5.200 1.376 1.00 0.00 C ATOM 1112 C ARG A 69 -4.302 4.386 2.641 1.00 0.00 C ATOM 1113 O ARG A 69 -4.334 4.938 3.739 1.00 0.00 O ATOM 1114 CB ARG A 69 -5.379 5.696 0.793 1.00 0.00 C ATOM 1115 CG ARG A 69 -5.216 6.930 -0.078 1.00 0.00 C ATOM 1116 CD ARG A 69 -6.548 7.444 -0.597 1.00 0.00 C ATOM 1117 NE ARG A 69 -6.429 8.808 -1.110 1.00 0.00 N ATOM 1118 CZ ARG A 69 -7.305 9.392 -1.929 1.00 0.00 C ATOM 1119 NH1 ARG A 69 -8.358 8.721 -2.381 1.00 0.00 N ATOM 1120 NH2 ARG A 69 -7.120 10.652 -2.301 1.00 0.00 N ATOM 0 H ARG A 69 -3.839 4.150 -0.427 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.451 6.065 1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.832 4.899 0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.067 5.921 1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.724 7.715 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.566 6.695 -0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.911 6.787 -1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.287 7.418 0.204 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.617 9.353 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.502 7.751 -2.102 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.022 9.176 -3.007 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.310 11.171 -1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.788 11.102 -2.927 1.00 0.00 H new ATOM 1134 N LEU A 70 -4.470 3.078 2.490 1.00 0.00 N ATOM 1135 CA LEU A 70 -4.652 2.204 3.643 1.00 0.00 C ATOM 1136 C LEU A 70 -3.357 2.093 4.443 1.00 0.00 C ATOM 1137 O LEU A 70 -3.374 2.103 5.673 1.00 0.00 O ATOM 1138 CB LEU A 70 -5.117 0.809 3.214 1.00 0.00 C ATOM 1139 CG LEU A 70 -6.512 0.737 2.592 1.00 0.00 C ATOM 1140 CD1 LEU A 70 -6.853 -0.698 2.233 1.00 0.00 C ATOM 1141 CD2 LEU A 70 -7.558 1.310 3.540 1.00 0.00 C ATOM 0 H LEU A 70 -4.484 2.602 1.588 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.424 2.647 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.399 0.411 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.094 0.154 4.085 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.513 1.337 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.849 -0.736 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.124 -1.077 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.832 -1.313 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.542 1.248 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.558 0.740 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.323 2.353 3.754 1.00 0.00 H new ATOM 1153 N ALA A 71 -2.237 2.004 3.741 1.00 0.00 N ATOM 1154 CA ALA A 71 -0.943 1.845 4.390 1.00 0.00 C ATOM 1155 C ALA A 71 -0.470 3.139 5.053 1.00 0.00 C ATOM 1156 O ALA A 71 0.371 3.112 5.948 1.00 0.00 O ATOM 1157 CB ALA A 71 0.088 1.342 3.394 1.00 0.00 C ATOM 0 H ALA A 71 -2.198 2.039 2.722 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.061 1.105 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.050 1.228 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.231 0.379 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.185 2.058 2.578 1.00 0.00 H new ATOM 1163 N LYS A 72 -1.002 4.274 4.618 1.00 0.00 N ATOM 1164 CA LYS A 72 -0.651 5.549 5.238 1.00 0.00 C ATOM 1165 C LYS A 72 -1.827 6.089 6.054 1.00 0.00 C ATOM 1166 O LYS A 72 -1.892 7.282 6.367 1.00 0.00 O ATOM 1167 CB LYS A 72 -0.205 6.575 4.184 1.00 0.00 C ATOM 1168 CG LYS A 72 -1.310 7.056 3.256 1.00 0.00 C ATOM 1169 CD LYS A 72 -0.806 8.146 2.325 1.00 0.00 C ATOM 1170 CE LYS A 72 -1.927 8.734 1.482 1.00 0.00 C ATOM 1171 NZ LYS A 72 -1.465 9.904 0.691 1.00 0.00 N ATOM 0 H LYS A 72 -1.669 4.341 3.849 1.00 0.00 H new ATOM 0 HA LYS A 72 0.188 5.377 5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.223 7.438 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.590 6.135 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.687 6.218 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.145 7.434 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.339 8.937 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.036 7.737 1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.315 7.970 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.750 9.035 2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.256 10.278 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.118 10.643 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.697 9.611 0.054 1.00 0.00 H new ATOM 1185 N SER A 73 -2.743 5.197 6.417 1.00 0.00 N ATOM 1186 CA SER A 73 -3.914 5.579 7.195 1.00 0.00 C ATOM 1187 C SER A 73 -3.526 5.866 8.644 1.00 0.00 C ATOM 1188 O SER A 73 -2.490 5.398 9.124 1.00 0.00 O ATOM 1189 CB SER A 73 -4.966 4.464 7.150 1.00 0.00 C ATOM 1190 OG SER A 73 -4.480 3.278 7.756 1.00 0.00 O ATOM 0 H SER A 73 -2.696 4.205 6.184 1.00 0.00 H new ATOM 0 HA SER A 73 -4.335 6.485 6.759 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.871 4.793 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.241 4.261 6.115 1.00 0.00 H new ATOM 0 HG SER A 73 -3.837 2.845 7.157 1.00 0.00 H new ATOM 1196 N PRO A 74 -4.349 6.648 9.366 1.00 0.00 N ATOM 1197 CA PRO A 74 -4.129 6.919 10.789 1.00 0.00 C ATOM 1198 C PRO A 74 -4.091 5.634 11.617 1.00 0.00 C ATOM 1199 O PRO A 74 -3.471 5.586 12.674 1.00 0.00 O ATOM 1200 CB PRO A 74 -5.335 7.777 11.187 1.00 0.00 C ATOM 1201 CG PRO A 74 -5.812 8.377 9.910 1.00 0.00 C ATOM 1202 CD PRO A 74 -5.538 7.350 8.850 1.00 0.00 C ATOM 0 HA PRO A 74 -3.171 7.408 10.968 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.113 7.174 11.655 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.053 8.547 11.905 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.875 8.612 9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.289 9.309 9.696 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.381 6.672 8.718 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.345 7.811 7.881 1.00 0.00 H new ATOM 1210 N LEU A 75 -4.746 4.590 11.115 1.00 0.00 N ATOM 1211 CA LEU A 75 -4.764 3.301 11.792 1.00 0.00 C ATOM 1212 C LEU A 75 -3.408 2.614 11.682 1.00 0.00 C ATOM 1213 O LEU A 75 -2.876 2.111 12.670 1.00 0.00 O ATOM 1214 CB LEU A 75 -5.859 2.405 11.203 1.00 0.00 C ATOM 1215 CG LEU A 75 -5.859 0.956 11.704 1.00 0.00 C ATOM 1216 CD1 LEU A 75 -5.982 0.911 13.220 1.00 0.00 C ATOM 1217 CD2 LEU A 75 -6.989 0.173 11.055 1.00 0.00 C ATOM 0 H LEU A 75 -5.271 4.614 10.241 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.979 3.473 12.847 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.829 2.850 11.427 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.755 2.397 10.118 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.911 0.495 11.425 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.980 -0.126 13.555 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.141 1.439 13.669 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.914 1.388 13.524 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.977 -0.854 11.420 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.943 0.636 11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.858 0.175 9.973 1.00 0.00 H new ATOM 1229 N TYR A 76 -2.853 2.607 10.476 1.00 0.00 N ATOM 1230 CA TYR A 76 -1.549 2.000 10.233 1.00 0.00 C ATOM 1231 C TYR A 76 -0.456 2.845 10.884 1.00 0.00 C ATOM 1232 O TYR A 76 0.667 2.393 11.085 1.00 0.00 O ATOM 1233 CB TYR A 76 -1.293 1.842 8.730 1.00 0.00 C ATOM 1234 CG TYR A 76 -0.298 0.751 8.395 1.00 0.00 C ATOM 1235 CD1 TYR A 76 -0.672 -0.586 8.438 1.00 0.00 C ATOM 1236 CD2 TYR A 76 1.010 1.053 8.039 1.00 0.00 C ATOM 1237 CE1 TYR A 76 0.227 -1.591 8.135 1.00 0.00 C ATOM 1238 CE2 TYR A 76 1.914 0.054 7.734 1.00 0.00 C ATOM 1239 CZ TYR A 76 1.518 -1.265 7.784 1.00 0.00 C ATOM 1240 OH TYR A 76 2.422 -2.263 7.486 1.00 0.00 O ATOM 0 H TYR A 76 -3.287 3.016 9.648 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.536 1.005 10.678 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.237 1.627 8.230 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.929 2.789 8.331 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.684 -0.845 8.713 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.325 2.085 8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.081 -2.625 8.173 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.927 0.306 7.457 1.00 0.00 H new ATOM 0 HH TYR A 76 3.183 -2.209 8.101 1.00 0.00 H new ATOM 1250 N ARG A 77 -0.798 4.097 11.150 1.00 0.00 N ATOM 1251 CA ARG A 77 0.086 5.023 11.844 1.00 0.00 C ATOM 1252 C ARG A 77 0.041 4.802 13.362 1.00 0.00 C ATOM 1253 O ARG A 77 1.075 4.837 14.031 1.00 0.00 O ATOM 1254 CB ARG A 77 -0.326 6.455 11.503 1.00 0.00 C ATOM 1255 CG ARG A 77 0.505 7.530 12.177 1.00 0.00 C ATOM 1256 CD ARG A 77 0.043 8.907 11.740 1.00 0.00 C ATOM 1257 NE ARG A 77 0.787 9.979 12.390 1.00 0.00 N ATOM 1258 CZ ARG A 77 1.178 11.088 11.767 1.00 0.00 C ATOM 1259 NH1 ARG A 77 0.934 11.244 10.469 1.00 0.00 N ATOM 1260 NH2 ARG A 77 1.813 12.038 12.440 1.00 0.00 N ATOM 0 H ARG A 77 -1.698 4.501 10.890 1.00 0.00 H new ATOM 0 HA ARG A 77 1.110 4.846 11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.263 6.590 10.423 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.371 6.594 11.781 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.421 7.438 13.260 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.557 7.396 11.926 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.152 8.997 10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.018 9.018 11.964 1.00 0.00 H new ATOM 0 HE ARG A 77 1.021 9.873 13.377 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.447 10.513 9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.234 12.094 9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.002 11.919 13.435 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.113 12.888 11.962 1.00 0.00 H new ATOM 1274 N LYS A 78 -1.159 4.581 13.900 1.00 0.00 N ATOM 1275 CA LYS A 78 -1.328 4.361 15.337 1.00 0.00 C ATOM 1276 C LYS A 78 -0.892 2.960 15.737 1.00 0.00 C ATOM 1277 O LYS A 78 -0.265 2.771 16.776 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.774 4.616 15.767 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.095 6.092 15.924 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.153 6.744 16.923 1.00 0.00 C ATOM 1281 CE LYS A 78 -2.396 8.237 17.035 1.00 0.00 C ATOM 1282 NZ LYS A 78 -1.432 8.885 17.962 1.00 0.00 N ATOM 0 H LYS A 78 -2.026 4.550 13.364 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.687 5.075 15.854 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.449 4.180 15.030 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.961 4.107 16.712 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.012 6.592 14.959 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.126 6.212 16.257 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.283 6.280 17.901 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.121 6.565 16.620 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.315 8.694 16.049 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.413 8.415 17.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.630 9.905 18.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.527 8.467 18.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.463 8.737 17.614 1.00 0.00 H new ATOM 1296 N GLN A 79 -1.240 1.979 14.927 1.00 0.00 N ATOM 1297 CA GLN A 79 -0.686 0.651 15.085 1.00 0.00 C ATOM 1298 C GLN A 79 0.575 0.572 14.249 1.00 0.00 C ATOM 1299 O GLN A 79 0.883 1.522 13.544 1.00 0.00 O ATOM 1300 CB GLN A 79 -1.685 -0.423 14.647 1.00 0.00 C ATOM 1301 CG GLN A 79 -2.890 -0.557 15.561 1.00 0.00 C ATOM 1302 CD GLN A 79 -3.771 -1.735 15.189 1.00 0.00 C ATOM 1303 OE1 GLN A 79 -3.296 -2.734 14.645 1.00 0.00 O ATOM 1304 NE2 GLN A 79 -5.056 -1.634 15.489 1.00 0.00 N ATOM 0 H GLN A 79 -1.901 2.077 14.156 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.461 0.469 16.136 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.031 -0.193 13.639 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.172 -1.383 14.597 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.551 -0.672 16.590 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.478 0.360 15.519 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.410 -0.790 15.939 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.693 -2.400 15.270 1.00 0.00 H new ATOM 1313 N PHE A 80 1.306 -0.535 14.345 1.00 0.00 N ATOM 1314 CA PHE A 80 2.509 -0.750 13.531 1.00 0.00 C ATOM 1315 C PHE A 80 3.632 0.241 13.879 1.00 0.00 C ATOM 1316 O PHE A 80 4.631 -0.134 14.494 1.00 0.00 O ATOM 1317 CB PHE A 80 2.139 -0.668 12.040 1.00 0.00 C ATOM 1318 CG PHE A 80 3.305 -0.674 11.094 1.00 0.00 C ATOM 1319 CD1 PHE A 80 3.946 -1.856 10.769 1.00 0.00 C ATOM 1320 CD2 PHE A 80 3.747 0.506 10.516 1.00 0.00 C ATOM 1321 CE1 PHE A 80 5.008 -1.860 9.888 1.00 0.00 C ATOM 1322 CE2 PHE A 80 4.805 0.506 9.633 1.00 0.00 C ATOM 1323 CZ PHE A 80 5.437 -0.679 9.318 1.00 0.00 C ATOM 0 H PHE A 80 1.089 -1.303 14.980 1.00 0.00 H new ATOM 0 HA PHE A 80 2.897 -1.744 13.753 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.489 -1.508 11.796 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.561 0.241 11.874 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.612 -2.784 11.209 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.256 1.436 10.761 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.504 -2.788 9.644 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.139 1.432 9.188 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.266 -0.682 8.626 1.00 0.00 H new ATOM 1333 N PHE A 81 3.441 1.503 13.515 1.00 0.00 N ATOM 1334 CA PHE A 81 4.468 2.528 13.652 1.00 0.00 C ATOM 1335 C PHE A 81 4.696 2.905 15.116 1.00 0.00 C ATOM 1336 O PHE A 81 5.795 3.301 15.499 1.00 0.00 O ATOM 1337 CB PHE A 81 4.060 3.765 12.838 1.00 0.00 C ATOM 1338 CG PHE A 81 5.074 4.878 12.845 1.00 0.00 C ATOM 1339 CD1 PHE A 81 6.174 4.836 12.003 1.00 0.00 C ATOM 1340 CD2 PHE A 81 4.921 5.968 13.688 1.00 0.00 C ATOM 1341 CE1 PHE A 81 7.102 5.859 12.004 1.00 0.00 C ATOM 1342 CE2 PHE A 81 5.847 6.993 13.693 1.00 0.00 C ATOM 1343 CZ PHE A 81 6.940 6.937 12.851 1.00 0.00 C ATOM 0 H PHE A 81 2.567 1.845 13.115 1.00 0.00 H new ATOM 0 HA PHE A 81 5.408 2.129 13.270 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.878 3.462 11.807 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.117 4.147 13.229 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.307 3.995 11.339 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.068 6.016 14.348 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.954 5.816 11.342 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.716 7.837 14.354 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.667 7.736 12.855 1.00 0.00 H new ATOM 1353 N GLU A 82 3.654 2.784 15.926 1.00 0.00 N ATOM 1354 CA GLU A 82 3.746 3.140 17.335 1.00 0.00 C ATOM 1355 C GLU A 82 4.220 1.960 18.200 1.00 0.00 C ATOM 1356 O GLU A 82 5.191 2.105 18.944 1.00 0.00 O ATOM 1357 CB GLU A 82 2.401 3.680 17.835 1.00 0.00 C ATOM 1358 CG GLU A 82 2.390 4.063 19.306 1.00 0.00 C ATOM 1359 CD GLU A 82 3.226 5.290 19.606 1.00 0.00 C ATOM 1360 OE1 GLU A 82 2.734 6.414 19.374 1.00 0.00 O ATOM 1361 OE2 GLU A 82 4.364 5.135 20.095 1.00 0.00 O ATOM 0 H GLU A 82 2.738 2.443 15.633 1.00 0.00 H new ATOM 0 HA GLU A 82 4.497 3.924 17.429 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.130 4.553 17.242 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.633 2.926 17.662 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.362 4.245 19.620 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.760 3.225 19.896 1.00 0.00 H new ATOM 1368 N PRO A 83 3.561 0.773 18.140 1.00 0.00 N ATOM 1369 CA PRO A 83 3.934 -0.371 18.987 1.00 0.00 C ATOM 1370 C PRO A 83 5.335 -0.897 18.688 1.00 0.00 C ATOM 1371 O PRO A 83 6.036 -1.363 19.584 1.00 0.00 O ATOM 1372 CB PRO A 83 2.889 -1.443 18.654 1.00 0.00 C ATOM 1373 CG PRO A 83 1.779 -0.711 17.987 1.00 0.00 C ATOM 1374 CD PRO A 83 2.422 0.439 17.271 1.00 0.00 C ATOM 0 HA PRO A 83 3.952 -0.088 20.039 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.305 -2.209 17.999 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.542 -1.948 19.555 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.247 -1.358 17.290 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.049 -0.359 18.716 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.747 0.160 16.269 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.737 1.280 17.161 1.00 0.00 H new ATOM 1382 N PHE A 84 5.735 -0.824 17.429 1.00 0.00 N ATOM 1383 CA PHE A 84 7.046 -1.306 17.022 1.00 0.00 C ATOM 1384 C PHE A 84 7.976 -0.132 16.761 1.00 0.00 C ATOM 1385 O PHE A 84 7.522 0.984 16.516 1.00 0.00 O ATOM 1386 CB PHE A 84 6.936 -2.182 15.768 1.00 0.00 C ATOM 1387 CG PHE A 84 6.044 -3.377 15.947 1.00 0.00 C ATOM 1388 CD1 PHE A 84 6.527 -4.537 16.530 1.00 0.00 C ATOM 1389 CD2 PHE A 84 4.723 -3.338 15.531 1.00 0.00 C ATOM 1390 CE1 PHE A 84 5.707 -5.637 16.697 1.00 0.00 C ATOM 1391 CE2 PHE A 84 3.899 -4.434 15.693 1.00 0.00 C ATOM 1392 CZ PHE A 84 4.392 -5.586 16.277 1.00 0.00 C ATOM 0 H PHE A 84 5.172 -0.436 16.672 1.00 0.00 H new ATOM 0 HA PHE A 84 7.457 -1.912 17.830 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.558 -1.577 14.944 1.00 0.00 H new ATOM 0 HB3 PHE A 84 7.932 -2.522 15.483 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.555 -4.582 16.857 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.333 -2.440 15.075 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.094 -6.535 17.155 1.00 0.00 H new ATOM 0 HE2 PHE A 84 2.871 -4.391 15.364 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.750 -6.445 16.405 1.00 0.00 H new ATOM 1402 N ILE A 85 9.274 -0.379 16.832 1.00 0.00 N ATOM 1403 CA ILE A 85 10.256 0.661 16.569 1.00 0.00 C ATOM 1404 C ILE A 85 10.384 0.900 15.062 1.00 0.00 C ATOM 1405 O ILE A 85 10.190 -0.019 14.265 1.00 0.00 O ATOM 1406 CB ILE A 85 11.636 0.308 17.182 1.00 0.00 C ATOM 1407 CG1 ILE A 85 12.651 1.425 16.904 1.00 0.00 C ATOM 1408 CG2 ILE A 85 12.134 -1.028 16.647 1.00 0.00 C ATOM 1409 CD1 ILE A 85 13.999 1.209 17.553 1.00 0.00 C ATOM 0 H ILE A 85 9.672 -1.288 17.069 1.00 0.00 H new ATOM 0 HA ILE A 85 9.908 1.578 17.045 1.00 0.00 H new ATOM 0 HB ILE A 85 11.521 0.217 18.262 1.00 0.00 H new ATOM 0 HG12 ILE A 85 12.789 1.516 15.827 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.239 2.371 17.254 1.00 0.00 H new ATOM 0 HG21 ILE A 85 13.104 -1.258 17.089 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.422 -1.812 16.906 1.00 0.00 H new ATOM 0 HG23 ILE A 85 12.233 -0.972 15.563 1.00 0.00 H new ATOM 0 HD11 ILE A 85 14.658 2.042 17.308 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.877 1.149 18.634 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.435 0.280 17.185 1.00 0.00 H new ATOM 1421 N ASN A 86 10.704 2.140 14.687 1.00 0.00 N ATOM 1422 CA ASN A 86 10.769 2.557 13.283 1.00 0.00 C ATOM 1423 C ASN A 86 11.651 1.632 12.441 1.00 0.00 C ATOM 1424 O ASN A 86 11.317 1.332 11.297 1.00 0.00 O ATOM 1425 CB ASN A 86 11.284 3.997 13.194 1.00 0.00 C ATOM 1426 CG ASN A 86 11.355 4.511 11.765 1.00 0.00 C ATOM 1427 OD1 ASN A 86 12.375 4.382 11.097 1.00 0.00 O ATOM 1428 ND2 ASN A 86 10.272 5.110 11.295 1.00 0.00 N ATOM 0 H ASN A 86 10.926 2.885 15.348 1.00 0.00 H new ATOM 0 HA ASN A 86 9.759 2.497 12.877 1.00 0.00 H new ATOM 0 HB2 ASN A 86 10.632 4.648 13.777 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.275 4.052 13.645 1.00 0.00 H new ATOM 0 HD21 ASN A 86 10.267 5.484 10.346 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.442 5.198 11.882 1.00 0.00 H new ATOM 1435 N SER A 87 12.761 1.177 13.011 1.00 0.00 N ATOM 1436 CA SER A 87 13.675 0.282 12.308 1.00 0.00 C ATOM 1437 C SER A 87 12.967 -1.012 11.905 1.00 0.00 C ATOM 1438 O SER A 87 13.018 -1.428 10.748 1.00 0.00 O ATOM 1439 CB SER A 87 14.884 -0.022 13.197 1.00 0.00 C ATOM 1440 OG SER A 87 14.471 -0.336 14.519 1.00 0.00 O ATOM 0 H SER A 87 13.051 1.413 13.960 1.00 0.00 H new ATOM 0 HA SER A 87 14.017 0.774 11.397 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.448 -0.856 12.779 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.554 0.838 13.215 1.00 0.00 H new ATOM 0 HG SER A 87 15.258 -0.529 15.070 1.00 0.00 H new ATOM 1446 N ARG A 88 12.286 -1.627 12.868 1.00 0.00 N ATOM 1447 CA ARG A 88 11.543 -2.857 12.623 1.00 0.00 C ATOM 1448 C ARG A 88 10.354 -2.579 11.706 1.00 0.00 C ATOM 1449 O ARG A 88 9.996 -3.402 10.860 1.00 0.00 O ATOM 1450 CB ARG A 88 11.052 -3.445 13.950 1.00 0.00 C ATOM 1451 CG ARG A 88 10.403 -4.814 13.818 1.00 0.00 C ATOM 1452 CD ARG A 88 11.339 -5.929 14.260 1.00 0.00 C ATOM 1453 NE ARG A 88 12.538 -6.031 13.428 1.00 0.00 N ATOM 1454 CZ ARG A 88 13.488 -6.945 13.614 1.00 0.00 C ATOM 1455 NH1 ARG A 88 13.396 -7.808 14.616 1.00 0.00 N ATOM 1456 NH2 ARG A 88 14.533 -6.994 12.799 1.00 0.00 N ATOM 0 H ARG A 88 12.234 -1.291 13.830 1.00 0.00 H new ATOM 0 HA ARG A 88 12.203 -3.576 12.137 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.895 -3.519 14.637 1.00 0.00 H new ATOM 0 HB3 ARG A 88 10.335 -2.756 14.398 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.493 -4.844 14.418 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.107 -4.977 12.782 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.635 -5.759 15.295 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.803 -6.878 14.234 1.00 0.00 H new ATOM 0 HE ARG A 88 12.652 -5.365 12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.596 -7.773 15.247 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.126 -8.507 14.756 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.610 -6.331 12.028 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.260 -7.695 12.943 1.00 0.00 H new ATOM 1470 N ALA A 89 9.753 -1.409 11.881 1.00 0.00 N ATOM 1471 CA ALA A 89 8.624 -0.994 11.065 1.00 0.00 C ATOM 1472 C ALA A 89 9.030 -0.871 9.601 1.00 0.00 C ATOM 1473 O ALA A 89 8.308 -1.313 8.710 1.00 0.00 O ATOM 1474 CB ALA A 89 8.062 0.325 11.576 1.00 0.00 C ATOM 0 H ALA A 89 10.033 -0.728 12.587 1.00 0.00 H new ATOM 0 HA ALA A 89 7.848 -1.756 11.138 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.217 0.625 10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.731 0.204 12.607 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.835 1.092 11.531 1.00 0.00 H new ATOM 1480 N LEU A 90 10.196 -0.283 9.363 1.00 0.00 N ATOM 1481 CA LEU A 90 10.723 -0.119 8.014 1.00 0.00 C ATOM 1482 C LEU A 90 10.839 -1.475 7.322 1.00 0.00 C ATOM 1483 O LEU A 90 10.448 -1.632 6.165 1.00 0.00 O ATOM 1484 CB LEU A 90 12.094 0.565 8.067 1.00 0.00 C ATOM 1485 CG LEU A 90 12.663 1.005 6.715 1.00 0.00 C ATOM 1486 CD1 LEU A 90 11.865 2.168 6.149 1.00 0.00 C ATOM 1487 CD2 LEU A 90 14.130 1.376 6.853 1.00 0.00 C ATOM 0 H LEU A 90 10.800 0.092 10.095 1.00 0.00 H new ATOM 0 HA LEU A 90 10.037 0.506 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.019 1.440 8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.803 -0.117 8.536 1.00 0.00 H new ATOM 0 HG LEU A 90 12.583 0.170 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.286 2.465 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.827 1.865 6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.909 3.010 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.520 1.686 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.233 2.195 7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.692 0.513 7.210 1.00 0.00 H new ATOM 1499 N GLU A 91 11.353 -2.454 8.057 1.00 0.00 N ATOM 1500 CA GLU A 91 11.503 -3.811 7.543 1.00 0.00 C ATOM 1501 C GLU A 91 10.149 -4.381 7.124 1.00 0.00 C ATOM 1502 O GLU A 91 9.993 -4.901 6.014 1.00 0.00 O ATOM 1503 CB GLU A 91 12.138 -4.709 8.606 1.00 0.00 C ATOM 1504 CG GLU A 91 13.473 -4.195 9.115 1.00 0.00 C ATOM 1505 CD GLU A 91 14.045 -5.055 10.220 1.00 0.00 C ATOM 1506 OE1 GLU A 91 14.621 -6.118 9.913 1.00 0.00 O ATOM 1507 OE2 GLU A 91 13.932 -4.673 11.402 1.00 0.00 O ATOM 0 H GLU A 91 11.675 -2.332 9.017 1.00 0.00 H new ATOM 0 HA GLU A 91 12.152 -3.777 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.451 -4.805 9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.276 -5.707 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.182 -4.154 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.350 -3.175 9.480 1.00 0.00 H new ATOM 1514 N LEU A 92 9.170 -4.256 8.014 1.00 0.00 N ATOM 1515 CA LEU A 92 7.831 -4.770 7.758 1.00 0.00 C ATOM 1516 C LEU A 92 7.193 -4.024 6.583 1.00 0.00 C ATOM 1517 O LEU A 92 6.543 -4.633 5.733 1.00 0.00 O ATOM 1518 CB LEU A 92 6.972 -4.641 9.028 1.00 0.00 C ATOM 1519 CG LEU A 92 5.723 -5.536 9.102 1.00 0.00 C ATOM 1520 CD1 LEU A 92 5.210 -5.599 10.532 1.00 0.00 C ATOM 1521 CD2 LEU A 92 4.619 -5.028 8.185 1.00 0.00 C ATOM 0 H LEU A 92 9.280 -3.802 8.921 1.00 0.00 H new ATOM 0 HA LEU A 92 7.895 -5.825 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.602 -4.861 9.890 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.654 -3.603 9.122 1.00 0.00 H new ATOM 0 HG LEU A 92 6.009 -6.534 8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.326 -6.235 10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.984 -6.012 11.179 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.952 -4.596 10.870 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.752 -5.684 8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.337 -4.017 8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.977 -5.019 7.155 1.00 0.00 H new ATOM 1533 N ALA A 93 7.405 -2.712 6.531 1.00 0.00 N ATOM 1534 CA ALA A 93 6.872 -1.884 5.453 1.00 0.00 C ATOM 1535 C ALA A 93 7.371 -2.369 4.096 1.00 0.00 C ATOM 1536 O ALA A 93 6.592 -2.517 3.151 1.00 0.00 O ATOM 1537 CB ALA A 93 7.248 -0.425 5.666 1.00 0.00 C ATOM 0 H ALA A 93 7.945 -2.197 7.227 1.00 0.00 H new ATOM 0 HA ALA A 93 5.785 -1.969 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.843 0.178 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.838 -0.078 6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.334 -0.328 5.683 1.00 0.00 H new ATOM 1543 N PHE A 94 8.672 -2.638 4.012 1.00 0.00 N ATOM 1544 CA PHE A 94 9.277 -3.159 2.790 1.00 0.00 C ATOM 1545 C PHE A 94 8.627 -4.469 2.360 1.00 0.00 C ATOM 1546 O PHE A 94 8.433 -4.714 1.171 1.00 0.00 O ATOM 1547 CB PHE A 94 10.779 -3.376 2.978 1.00 0.00 C ATOM 1548 CG PHE A 94 11.621 -2.181 2.639 1.00 0.00 C ATOM 1549 CD1 PHE A 94 11.795 -1.154 3.548 1.00 0.00 C ATOM 1550 CD2 PHE A 94 12.245 -2.090 1.406 1.00 0.00 C ATOM 1551 CE1 PHE A 94 12.576 -0.059 3.236 1.00 0.00 C ATOM 1552 CE2 PHE A 94 13.028 -0.998 1.087 1.00 0.00 C ATOM 1553 CZ PHE A 94 13.193 0.020 2.005 1.00 0.00 C ATOM 0 H PHE A 94 9.330 -2.503 4.780 1.00 0.00 H new ATOM 0 HA PHE A 94 9.114 -2.417 2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 94 10.967 -3.657 4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 94 11.094 -4.216 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.314 -1.209 4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 94 12.118 -2.883 0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.704 0.736 3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 94 13.510 -0.941 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.804 0.876 1.760 1.00 0.00 H new ATOM 1563 N ARG A 95 8.290 -5.310 3.325 1.00 0.00 N ATOM 1564 CA ARG A 95 7.688 -6.601 3.024 1.00 0.00 C ATOM 1565 C ARG A 95 6.176 -6.480 2.804 1.00 0.00 C ATOM 1566 O ARG A 95 5.564 -7.361 2.211 1.00 0.00 O ATOM 1567 CB ARG A 95 7.997 -7.605 4.140 1.00 0.00 C ATOM 1568 CG ARG A 95 7.369 -8.972 3.916 1.00 0.00 C ATOM 1569 CD ARG A 95 7.890 -10.001 4.900 1.00 0.00 C ATOM 1570 NE ARG A 95 9.292 -10.327 4.643 1.00 0.00 N ATOM 1571 CZ ARG A 95 10.219 -10.470 5.590 1.00 0.00 C ATOM 1572 NH1 ARG A 95 9.903 -10.305 6.867 1.00 0.00 N ATOM 1573 NH2 ARG A 95 11.468 -10.774 5.261 1.00 0.00 N ATOM 0 H ARG A 95 8.422 -5.124 4.319 1.00 0.00 H new ATOM 0 HA ARG A 95 8.124 -6.966 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.078 -7.720 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.643 -7.202 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.286 -8.894 4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.576 -9.305 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.784 -9.621 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.287 -10.907 4.834 1.00 0.00 H new ATOM 0 HE ARG A 95 9.580 -10.454 3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.946 -10.067 7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.617 -10.416 7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.721 -10.899 4.281 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.175 -10.883 5.988 1.00 0.00 H new ATOM 1587 N HIS A 96 5.579 -5.387 3.257 1.00 0.00 N ATOM 1588 CA HIS A 96 4.134 -5.216 3.134 1.00 0.00 C ATOM 1589 C HIS A 96 3.769 -4.627 1.775 1.00 0.00 C ATOM 1590 O HIS A 96 2.688 -4.885 1.252 1.00 0.00 O ATOM 1591 CB HIS A 96 3.589 -4.318 4.250 1.00 0.00 C ATOM 1592 CG HIS A 96 2.148 -4.581 4.581 1.00 0.00 C ATOM 1593 ND1 HIS A 96 1.597 -4.279 5.805 1.00 0.00 N ATOM 1594 CD2 HIS A 96 1.153 -5.158 3.859 1.00 0.00 C ATOM 1595 CE1 HIS A 96 0.339 -4.665 5.827 1.00 0.00 C ATOM 1596 NE2 HIS A 96 0.040 -5.204 4.660 1.00 0.00 N ATOM 0 H HIS A 96 6.064 -4.612 3.709 1.00 0.00 H new ATOM 0 HA HIS A 96 3.679 -6.202 3.225 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.191 -4.461 5.147 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.701 -3.275 3.954 1.00 0.00 H new ATOM 0 HD1 HIS A 96 2.088 -3.826 6.576 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.225 -5.515 2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.337 -4.558 6.662 1.00 0.00 H new ATOM 1605 N ILE A 97 4.664 -3.828 1.218 1.00 0.00 N ATOM 1606 CA ILE A 97 4.414 -3.201 -0.073 1.00 0.00 C ATOM 1607 C ILE A 97 5.164 -3.920 -1.191 1.00 0.00 C ATOM 1608 O ILE A 97 4.592 -4.240 -2.231 1.00 0.00 O ATOM 1609 CB ILE A 97 4.808 -1.706 -0.062 1.00 0.00 C ATOM 1610 CG1 ILE A 97 3.978 -0.954 0.982 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.624 -1.090 -1.445 1.00 0.00 C ATOM 1612 CD1 ILE A 97 4.335 0.511 1.109 1.00 0.00 C ATOM 0 H ILE A 97 5.566 -3.598 1.635 1.00 0.00 H new ATOM 0 HA ILE A 97 3.343 -3.277 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 97 5.862 -1.623 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.923 -1.040 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.109 -1.435 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.907 -0.038 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.253 -1.615 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.580 -1.177 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.704 0.975 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.381 0.607 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.177 1.008 0.152 1.00 0.00 H new ATOM 1624 N LEU A 98 6.445 -4.181 -0.969 1.00 0.00 N ATOM 1625 CA LEU A 98 7.287 -4.769 -2.002 1.00 0.00 C ATOM 1626 C LEU A 98 7.464 -6.267 -1.786 1.00 0.00 C ATOM 1627 O LEU A 98 7.873 -6.992 -2.694 1.00 0.00 O ATOM 1628 CB LEU A 98 8.658 -4.087 -2.013 1.00 0.00 C ATOM 1629 CG LEU A 98 8.625 -2.561 -2.091 1.00 0.00 C ATOM 1630 CD1 LEU A 98 10.037 -1.999 -2.079 1.00 0.00 C ATOM 1631 CD2 LEU A 98 7.873 -2.107 -3.331 1.00 0.00 C ATOM 0 H LEU A 98 6.922 -3.996 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 98 6.794 -4.617 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.198 -4.377 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.228 -4.466 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 98 8.098 -2.180 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.996 -0.911 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.539 -2.296 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.590 -2.386 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.860 -1.018 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.369 -2.496 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.850 -2.481 -3.294 1.00 0.00 H new ATOM 1643 N GLY A 99 7.164 -6.724 -0.574 1.00 0.00 N ATOM 1644 CA GLY A 99 7.397 -8.114 -0.225 1.00 0.00 C ATOM 1645 C GLY A 99 8.876 -8.445 -0.188 1.00 0.00 C ATOM 1646 O GLY A 99 9.265 -9.612 -0.227 1.00 0.00 O ATOM 0 H GLY A 99 6.764 -6.156 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.953 -8.324 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.898 -8.759 -0.948 1.00 0.00 H new ATOM 1650 N ARG A 100 9.702 -7.411 -0.093 1.00 0.00 N ATOM 1651 CA ARG A 100 11.145 -7.580 -0.168 1.00 0.00 C ATOM 1652 C ARG A 100 11.773 -7.625 1.218 1.00 0.00 C ATOM 1653 O ARG A 100 12.065 -8.696 1.745 1.00 0.00 O ATOM 1654 CB ARG A 100 11.779 -6.446 -0.979 1.00 0.00 C ATOM 1655 CG ARG A 100 13.256 -6.664 -1.269 1.00 0.00 C ATOM 1656 CD ARG A 100 13.470 -7.842 -2.205 1.00 0.00 C ATOM 1657 NE ARG A 100 12.921 -7.577 -3.532 1.00 0.00 N ATOM 1658 CZ ARG A 100 11.912 -8.252 -4.074 1.00 0.00 C ATOM 1659 NH1 ARG A 100 11.313 -9.229 -3.399 1.00 0.00 N ATOM 1660 NH2 ARG A 100 11.494 -7.937 -5.292 1.00 0.00 N ATOM 0 H ARG A 100 9.396 -6.447 0.036 1.00 0.00 H new ATOM 0 HA ARG A 100 11.335 -8.531 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.243 -6.340 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.657 -5.509 -0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.678 -5.763 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.790 -6.838 -0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.536 -8.054 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.999 -8.731 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 100 13.339 -6.824 -4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.627 -9.466 -2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.540 -9.742 -3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.946 -7.181 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.720 -8.450 -5.714 1.00 0.00 H new ATOM 1674 N GLY A 101 11.949 -6.456 1.807 1.00 0.00 N ATOM 1675 CA GLY A 101 12.688 -6.358 3.046 1.00 0.00 C ATOM 1676 C GLY A 101 14.063 -5.775 2.804 1.00 0.00 C ATOM 1677 O GLY A 101 14.669 -6.054 1.768 1.00 0.00 O ATOM 0 H GLY A 101 11.593 -5.570 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.142 -5.733 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.781 -7.345 3.499 1.00 0.00 H new ATOM 1681 N PRO A 102 14.575 -4.957 3.735 1.00 0.00 N ATOM 1682 CA PRO A 102 15.879 -4.294 3.588 1.00 0.00 C ATOM 1683 C PRO A 102 17.014 -5.283 3.334 1.00 0.00 C ATOM 1684 O PRO A 102 17.310 -6.140 4.172 1.00 0.00 O ATOM 1685 CB PRO A 102 16.083 -3.578 4.931 1.00 0.00 C ATOM 1686 CG PRO A 102 15.101 -4.200 5.864 1.00 0.00 C ATOM 1687 CD PRO A 102 13.938 -4.619 5.016 1.00 0.00 C ATOM 0 HA PRO A 102 15.890 -3.622 2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.103 -3.705 5.293 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.910 -2.506 4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.538 -5.056 6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.790 -3.492 6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.412 -5.472 5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.208 -3.817 4.906 1.00 0.00 H new ATOM 1695 N SER A 103 17.634 -5.167 2.170 1.00 0.00 N ATOM 1696 CA SER A 103 18.708 -6.067 1.787 1.00 0.00 C ATOM 1697 C SER A 103 20.032 -5.315 1.655 1.00 0.00 C ATOM 1698 O SER A 103 21.105 -5.914 1.730 1.00 0.00 O ATOM 1699 CB SER A 103 18.357 -6.766 0.471 1.00 0.00 C ATOM 1700 OG SER A 103 19.334 -7.732 0.118 1.00 0.00 O ATOM 0 H SER A 103 17.410 -4.456 1.473 1.00 0.00 H new ATOM 0 HA SER A 103 18.825 -6.817 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.384 -7.248 0.562 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.272 -6.025 -0.324 1.00 0.00 H new ATOM 0 HG SER A 103 19.080 -8.161 -0.726 1.00 0.00 H new ATOM 1706 N SER A 104 19.959 -4.007 1.458 1.00 0.00 N ATOM 1707 CA SER A 104 21.159 -3.194 1.310 1.00 0.00 C ATOM 1708 C SER A 104 21.127 -2.005 2.268 1.00 0.00 C ATOM 1709 O SER A 104 20.058 -1.469 2.561 1.00 0.00 O ATOM 1710 CB SER A 104 21.278 -2.706 -0.134 1.00 0.00 C ATOM 1711 OG SER A 104 21.271 -3.793 -1.041 1.00 0.00 O ATOM 0 H SER A 104 19.084 -3.486 1.397 1.00 0.00 H new ATOM 0 HA SER A 104 22.028 -3.805 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 104 20.452 -2.032 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 104 22.198 -2.134 -0.253 1.00 0.00 H new ATOM 0 HG SER A 104 21.346 -3.455 -1.958 1.00 0.00 H new ATOM 1717 N ARG A 105 22.297 -1.586 2.746 1.00 0.00 N ATOM 1718 CA ARG A 105 22.382 -0.493 3.711 1.00 0.00 C ATOM 1719 C ARG A 105 22.009 0.830 3.047 1.00 0.00 C ATOM 1720 O ARG A 105 21.382 1.692 3.669 1.00 0.00 O ATOM 1721 CB ARG A 105 23.790 -0.425 4.324 1.00 0.00 C ATOM 1722 CG ARG A 105 23.913 0.547 5.494 1.00 0.00 C ATOM 1723 CD ARG A 105 24.330 1.942 5.048 1.00 0.00 C ATOM 1724 NE ARG A 105 25.736 1.989 4.644 1.00 0.00 N ATOM 1725 CZ ARG A 105 26.321 3.049 4.083 1.00 0.00 C ATOM 1726 NH1 ARG A 105 25.622 4.141 3.810 1.00 0.00 N ATOM 1727 NH2 ARG A 105 27.612 3.016 3.792 1.00 0.00 N ATOM 0 H ARG A 105 23.197 -1.986 2.481 1.00 0.00 H new ATOM 0 HA ARG A 105 21.673 -0.681 4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 105 24.076 -1.421 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 105 24.499 -0.135 3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 105 22.958 0.606 6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 105 24.643 0.163 6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 105 23.702 2.260 4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 105 24.162 2.648 5.861 1.00 0.00 H new ATOM 0 HE ARG A 105 26.306 1.158 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 105 24.626 4.177 4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 105 26.080 4.945 3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 105 28.160 2.180 3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 105 28.059 3.826 3.363 1.00 0.00 H new ATOM 1741 N GLU A 106 22.390 0.978 1.781 1.00 0.00 N ATOM 1742 CA GLU A 106 22.029 2.162 1.003 1.00 0.00 C ATOM 1743 C GLU A 106 20.513 2.252 0.898 1.00 0.00 C ATOM 1744 O GLU A 106 19.916 3.313 1.079 1.00 0.00 O ATOM 1745 CB GLU A 106 22.625 2.098 -0.411 1.00 0.00 C ATOM 1746 CG GLU A 106 23.961 1.375 -0.507 1.00 0.00 C ATOM 1747 CD GLU A 106 25.026 1.962 0.392 1.00 0.00 C ATOM 1748 OE1 GLU A 106 25.540 3.051 0.077 1.00 0.00 O ATOM 1749 OE2 GLU A 106 25.362 1.320 1.409 1.00 0.00 O ATOM 0 H GLU A 106 22.949 0.294 1.271 1.00 0.00 H new ATOM 0 HA GLU A 106 22.429 3.040 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 106 21.911 1.602 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.750 3.115 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 106 23.817 0.325 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.309 1.406 -1.539 1.00 0.00 H new ATOM 1756 N GLU A 107 19.913 1.103 0.615 1.00 0.00 N ATOM 1757 CA GLU A 107 18.467 0.966 0.501 1.00 0.00 C ATOM 1758 C GLU A 107 17.785 1.390 1.798 1.00 0.00 C ATOM 1759 O GLU A 107 16.848 2.192 1.785 1.00 0.00 O ATOM 1760 CB GLU A 107 18.140 -0.492 0.166 1.00 0.00 C ATOM 1761 CG GLU A 107 16.660 -0.830 0.122 1.00 0.00 C ATOM 1762 CD GLU A 107 16.436 -2.302 -0.152 1.00 0.00 C ATOM 1763 OE1 GLU A 107 16.928 -3.133 0.641 1.00 0.00 O ATOM 1764 OE2 GLU A 107 15.807 -2.638 -1.179 1.00 0.00 O ATOM 0 H GLU A 107 20.421 0.233 0.457 1.00 0.00 H new ATOM 0 HA GLU A 107 18.096 1.615 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.580 -0.733 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.621 -1.134 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.196 -0.560 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.173 -0.236 -0.652 1.00 0.00 H new ATOM 1771 N VAL A 108 18.276 0.856 2.916 1.00 0.00 N ATOM 1772 CA VAL A 108 17.747 1.199 4.230 1.00 0.00 C ATOM 1773 C VAL A 108 17.834 2.703 4.474 1.00 0.00 C ATOM 1774 O VAL A 108 16.823 3.352 4.725 1.00 0.00 O ATOM 1775 CB VAL A 108 18.503 0.463 5.361 1.00 0.00 C ATOM 1776 CG1 VAL A 108 17.937 0.831 6.725 1.00 0.00 C ATOM 1777 CG2 VAL A 108 18.450 -1.041 5.152 1.00 0.00 C ATOM 0 H VAL A 108 19.042 0.182 2.935 1.00 0.00 H new ATOM 0 HA VAL A 108 16.704 0.884 4.242 1.00 0.00 H new ATOM 0 HB VAL A 108 19.545 0.780 5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 108 18.486 0.300 7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 108 18.034 1.905 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.884 0.552 6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 108 18.988 -1.540 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 108 17.411 -1.372 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 108 18.913 -1.292 4.198 1.00 0.00 H new ATOM 1787 N GLN A 109 19.043 3.249 4.368 1.00 0.00 N ATOM 1788 CA GLN A 109 19.295 4.648 4.669 1.00 0.00 C ATOM 1789 C GLN A 109 18.464 5.580 3.783 1.00 0.00 C ATOM 1790 O GLN A 109 17.981 6.617 4.246 1.00 0.00 O ATOM 1791 CB GLN A 109 20.788 4.939 4.509 1.00 0.00 C ATOM 1792 CG GLN A 109 21.156 6.379 4.793 1.00 0.00 C ATOM 1793 CD GLN A 109 22.653 6.601 4.853 1.00 0.00 C ATOM 1794 OE1 GLN A 109 23.428 5.894 4.207 1.00 0.00 O ATOM 1795 NE2 GLN A 109 23.070 7.596 5.619 1.00 0.00 N ATOM 0 H GLN A 109 19.871 2.732 4.071 1.00 0.00 H new ATOM 0 HA GLN A 109 18.994 4.838 5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.351 4.289 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.092 4.688 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.729 7.018 4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.710 6.683 5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 109 22.395 8.158 6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 109 24.067 7.801 5.691 1.00 0.00 H new ATOM 1804 N LYS A 110 18.295 5.206 2.518 1.00 0.00 N ATOM 1805 CA LYS A 110 17.504 5.998 1.584 1.00 0.00 C ATOM 1806 C LYS A 110 16.082 6.191 2.102 1.00 0.00 C ATOM 1807 O LYS A 110 15.625 7.319 2.295 1.00 0.00 O ATOM 1808 CB LYS A 110 17.467 5.322 0.208 1.00 0.00 C ATOM 1809 CG LYS A 110 16.559 6.019 -0.797 1.00 0.00 C ATOM 1810 CD LYS A 110 16.466 5.244 -2.103 1.00 0.00 C ATOM 1811 CE LYS A 110 15.434 5.854 -3.040 1.00 0.00 C ATOM 1812 NZ LYS A 110 15.282 5.066 -4.291 1.00 0.00 N ATOM 0 H LYS A 110 18.696 4.358 2.117 1.00 0.00 H new ATOM 0 HA LYS A 110 17.976 6.976 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 110 18.479 5.285 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 110 17.135 4.291 0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 110 15.563 6.133 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 110 16.937 7.022 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 110 17.441 5.233 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 110 16.202 4.207 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 110 14.472 5.914 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 110 15.728 6.874 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 14.570 5.516 -4.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 16.193 5.030 -4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 14.977 4.100 -4.058 1.00 0.00 H new ATOM 1826 N TYR A 111 15.393 5.087 2.350 1.00 0.00 N ATOM 1827 CA TYR A 111 13.995 5.142 2.752 1.00 0.00 C ATOM 1828 C TYR A 111 13.845 5.506 4.226 1.00 0.00 C ATOM 1829 O TYR A 111 12.826 6.063 4.631 1.00 0.00 O ATOM 1830 CB TYR A 111 13.298 3.818 2.437 1.00 0.00 C ATOM 1831 CG TYR A 111 13.215 3.533 0.951 1.00 0.00 C ATOM 1832 CD1 TYR A 111 12.207 4.090 0.173 1.00 0.00 C ATOM 1833 CD2 TYR A 111 14.151 2.720 0.328 1.00 0.00 C ATOM 1834 CE1 TYR A 111 12.138 3.844 -1.185 1.00 0.00 C ATOM 1835 CE2 TYR A 111 14.091 2.472 -1.029 1.00 0.00 C ATOM 1836 CZ TYR A 111 13.082 3.034 -1.780 1.00 0.00 C ATOM 1837 OH TYR A 111 13.023 2.792 -3.133 1.00 0.00 O ATOM 0 H TYR A 111 15.777 4.145 2.280 1.00 0.00 H new ATOM 0 HA TYR A 111 13.512 5.932 2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 111 13.834 3.006 2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.292 3.835 2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.466 4.725 0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 111 14.940 2.273 0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 111 11.349 4.284 -1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 111 14.831 1.841 -1.499 1.00 0.00 H new ATOM 0 HH TYR A 111 13.762 2.203 -3.392 1.00 0.00 H new ATOM 1847 N PHE A 112 14.868 5.210 5.019 1.00 0.00 N ATOM 1848 CA PHE A 112 14.875 5.595 6.425 1.00 0.00 C ATOM 1849 C PHE A 112 14.834 7.113 6.547 1.00 0.00 C ATOM 1850 O PHE A 112 14.144 7.661 7.402 1.00 0.00 O ATOM 1851 CB PHE A 112 16.115 5.039 7.131 1.00 0.00 C ATOM 1852 CG PHE A 112 16.184 5.372 8.595 1.00 0.00 C ATOM 1853 CD1 PHE A 112 15.441 4.655 9.518 1.00 0.00 C ATOM 1854 CD2 PHE A 112 16.993 6.404 9.047 1.00 0.00 C ATOM 1855 CE1 PHE A 112 15.503 4.960 10.864 1.00 0.00 C ATOM 1856 CE2 PHE A 112 17.058 6.713 10.391 1.00 0.00 C ATOM 1857 CZ PHE A 112 16.311 5.991 11.301 1.00 0.00 C ATOM 0 H PHE A 112 15.701 4.706 4.714 1.00 0.00 H new ATOM 0 HA PHE A 112 13.991 5.176 6.906 1.00 0.00 H new ATOM 0 HB2 PHE A 112 16.132 3.955 7.014 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.006 5.427 6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 112 14.806 3.849 9.182 1.00 0.00 H new ATOM 0 HD2 PHE A 112 17.579 6.972 8.340 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.920 4.392 11.574 1.00 0.00 H new ATOM 0 HE2 PHE A 112 17.692 7.518 10.730 1.00 0.00 H new ATOM 0 HZ PHE A 112 16.359 6.232 12.353 1.00 0.00 H new ATOM 1867 N SER A 113 15.563 7.790 5.672 1.00 0.00 N ATOM 1868 CA SER A 113 15.571 9.245 5.659 1.00 0.00 C ATOM 1869 C SER A 113 14.198 9.782 5.247 1.00 0.00 C ATOM 1870 O SER A 113 13.747 10.815 5.745 1.00 0.00 O ATOM 1871 CB SER A 113 16.660 9.752 4.710 1.00 0.00 C ATOM 1872 OG SER A 113 17.930 9.232 5.074 1.00 0.00 O ATOM 0 H SER A 113 16.155 7.356 4.964 1.00 0.00 H new ATOM 0 HA SER A 113 15.789 9.608 6.663 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.422 9.459 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.689 10.841 4.731 1.00 0.00 H new ATOM 0 HG SER A 113 17.991 8.294 4.797 1.00 0.00 H new ATOM 1878 N ILE A 114 13.527 9.054 4.359 1.00 0.00 N ATOM 1879 CA ILE A 114 12.202 9.445 3.888 1.00 0.00 C ATOM 1880 C ILE A 114 11.186 9.376 5.025 1.00 0.00 C ATOM 1881 O ILE A 114 10.434 10.323 5.257 1.00 0.00 O ATOM 1882 CB ILE A 114 11.726 8.548 2.721 1.00 0.00 C ATOM 1883 CG1 ILE A 114 12.709 8.632 1.553 1.00 0.00 C ATOM 1884 CG2 ILE A 114 10.328 8.954 2.273 1.00 0.00 C ATOM 1885 CD1 ILE A 114 12.356 7.732 0.389 1.00 0.00 C ATOM 0 H ILE A 114 13.880 8.189 3.950 1.00 0.00 H new ATOM 0 HA ILE A 114 12.277 10.471 3.528 1.00 0.00 H new ATOM 0 HB ILE A 114 11.688 7.516 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 114 12.754 9.663 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.706 8.373 1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.009 8.313 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.634 8.848 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.340 9.992 1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.100 7.848 -0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.340 6.695 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.373 8.004 0.004 1.00 0.00 H new ATOM 1897 N VAL A 115 11.186 8.264 5.752 1.00 0.00 N ATOM 1898 CA VAL A 115 10.250 8.078 6.856 1.00 0.00 C ATOM 1899 C VAL A 115 10.646 8.939 8.060 1.00 0.00 C ATOM 1900 O VAL A 115 9.821 9.241 8.923 1.00 0.00 O ATOM 1901 CB VAL A 115 10.146 6.586 7.270 1.00 0.00 C ATOM 1902 CG1 VAL A 115 11.447 6.084 7.873 1.00 0.00 C ATOM 1903 CG2 VAL A 115 8.983 6.365 8.228 1.00 0.00 C ATOM 0 H VAL A 115 11.821 7.480 5.598 1.00 0.00 H new ATOM 0 HA VAL A 115 9.268 8.399 6.507 1.00 0.00 H new ATOM 0 HB VAL A 115 9.956 6.007 6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.338 5.036 8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 115 12.249 6.184 7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.688 6.672 8.759 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.933 5.311 8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.131 6.967 9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.052 6.659 7.744 1.00 0.00 H new ATOM 1913 N SER A 116 11.909 9.348 8.105 1.00 0.00 N ATOM 1914 CA SER A 116 12.393 10.206 9.176 1.00 0.00 C ATOM 1915 C SER A 116 11.995 11.663 8.929 1.00 0.00 C ATOM 1916 O SER A 116 11.915 12.456 9.867 1.00 0.00 O ATOM 1917 CB SER A 116 13.917 10.094 9.305 1.00 0.00 C ATOM 1918 OG SER A 116 14.401 10.829 10.419 1.00 0.00 O ATOM 0 H SER A 116 12.615 9.099 7.412 1.00 0.00 H new ATOM 0 HA SER A 116 11.934 9.875 10.107 1.00 0.00 H new ATOM 0 HB2 SER A 116 14.198 9.046 9.409 1.00 0.00 H new ATOM 0 HB3 SER A 116 14.388 10.461 8.393 1.00 0.00 H new ATOM 0 HG SER A 116 15.375 10.736 10.474 1.00 0.00 H new ATOM 1924 N SER A 117 11.755 12.010 7.670 1.00 0.00 N ATOM 1925 CA SER A 117 11.392 13.377 7.319 1.00 0.00 C ATOM 1926 C SER A 117 9.882 13.526 7.123 1.00 0.00 C ATOM 1927 O SER A 117 9.217 14.242 7.872 1.00 0.00 O ATOM 1928 CB SER A 117 12.144 13.809 6.056 1.00 0.00 C ATOM 1929 OG SER A 117 12.068 12.813 5.045 1.00 0.00 O ATOM 0 H SER A 117 11.805 11.367 6.879 1.00 0.00 H new ATOM 0 HA SER A 117 11.679 14.026 8.146 1.00 0.00 H new ATOM 0 HB2 SER A 117 11.725 14.743 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.188 14.004 6.300 1.00 0.00 H new ATOM 0 HG SER A 117 12.692 12.087 5.253 1.00 0.00 H new ATOM 1935 N GLY A 118 9.343 12.834 6.127 1.00 0.00 N ATOM 1936 CA GLY A 118 7.935 12.971 5.801 1.00 0.00 C ATOM 1937 C GLY A 118 7.060 12.029 6.596 1.00 0.00 C ATOM 1938 O GLY A 118 5.832 12.099 6.522 1.00 0.00 O ATOM 0 H GLY A 118 9.856 12.179 5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 118 7.621 13.998 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 118 7.792 12.783 4.737 1.00 0.00 H new ATOM 1942 N GLY A 119 7.690 11.143 7.347 1.00 0.00 N ATOM 1943 CA GLY A 119 6.954 10.211 8.171 1.00 0.00 C ATOM 1944 C GLY A 119 6.516 8.980 7.408 1.00 0.00 C ATOM 1945 O GLY A 119 6.977 8.732 6.288 1.00 0.00 O ATOM 0 H GLY A 119 8.705 11.052 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.575 9.909 9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 119 6.077 10.710 8.583 1.00 0.00 H new ATOM 1949 N LEU A 120 5.620 8.215 8.016 1.00 0.00 N ATOM 1950 CA LEU A 120 5.108 6.985 7.420 1.00 0.00 C ATOM 1951 C LEU A 120 4.437 7.236 6.061 1.00 0.00 C ATOM 1952 O LEU A 120 4.751 6.544 5.091 1.00 0.00 O ATOM 1953 CB LEU A 120 4.131 6.295 8.379 1.00 0.00 C ATOM 1954 CG LEU A 120 3.582 4.951 7.898 1.00 0.00 C ATOM 1955 CD1 LEU A 120 4.699 3.928 7.758 1.00 0.00 C ATOM 1956 CD2 LEU A 120 2.512 4.448 8.854 1.00 0.00 C ATOM 0 H LEU A 120 5.227 8.427 8.933 1.00 0.00 H new ATOM 0 HA LEU A 120 5.961 6.329 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.632 6.143 9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.292 6.967 8.562 1.00 0.00 H new ATOM 0 HG LEU A 120 3.132 5.095 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.284 2.980 7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.432 4.286 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.183 3.783 8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.129 3.491 8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.942 4.322 9.848 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.697 5.170 8.900 1.00 0.00 H new ATOM 1968 N PRO A 121 3.507 8.221 5.953 1.00 0.00 N ATOM 1969 CA PRO A 121 2.824 8.524 4.689 1.00 0.00 C ATOM 1970 C PRO A 121 3.792 8.733 3.525 1.00 0.00 C ATOM 1971 O PRO A 121 3.553 8.250 2.419 1.00 0.00 O ATOM 1972 CB PRO A 121 2.048 9.821 4.979 1.00 0.00 C ATOM 1973 CG PRO A 121 2.563 10.315 6.286 1.00 0.00 C ATOM 1974 CD PRO A 121 3.028 9.102 7.033 1.00 0.00 C ATOM 0 HA PRO A 121 2.187 7.695 4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 121 2.208 10.557 4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.975 9.633 5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.381 11.021 6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.784 10.839 6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 121 3.821 9.342 7.742 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.220 8.642 7.602 1.00 0.00 H new ATOM 1982 N ALA A 122 4.888 9.437 3.781 1.00 0.00 N ATOM 1983 CA ALA A 122 5.874 9.712 2.745 1.00 0.00 C ATOM 1984 C ALA A 122 6.576 8.432 2.313 1.00 0.00 C ATOM 1985 O ALA A 122 6.822 8.220 1.125 1.00 0.00 O ATOM 1986 CB ALA A 122 6.888 10.731 3.231 1.00 0.00 C ATOM 0 H ALA A 122 5.116 9.827 4.696 1.00 0.00 H new ATOM 0 HA ALA A 122 5.352 10.125 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.616 10.924 2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.377 11.659 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.400 10.343 4.112 1.00 0.00 H new ATOM 1992 N LEU A 123 6.893 7.584 3.287 1.00 0.00 N ATOM 1993 CA LEU A 123 7.544 6.308 3.018 1.00 0.00 C ATOM 1994 C LEU A 123 6.646 5.416 2.165 1.00 0.00 C ATOM 1995 O LEU A 123 7.073 4.888 1.137 1.00 0.00 O ATOM 1996 CB LEU A 123 7.883 5.602 4.333 1.00 0.00 C ATOM 1997 CG LEU A 123 8.481 4.200 4.191 1.00 0.00 C ATOM 1998 CD1 LEU A 123 9.861 4.262 3.555 1.00 0.00 C ATOM 1999 CD2 LEU A 123 8.539 3.509 5.544 1.00 0.00 C ATOM 0 H LEU A 123 6.708 7.760 4.275 1.00 0.00 H new ATOM 0 HA LEU A 123 8.466 6.501 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.585 6.223 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 123 6.975 5.532 4.933 1.00 0.00 H new ATOM 0 HG LEU A 123 7.836 3.616 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.266 3.254 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.786 4.713 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.522 4.864 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.967 2.513 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.160 4.092 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.532 3.425 5.953 1.00 0.00 H new ATOM 2011 N VAL A 124 5.398 5.264 2.604 1.00 0.00 N ATOM 2012 CA VAL A 124 4.420 4.456 1.886 1.00 0.00 C ATOM 2013 C VAL A 124 4.240 4.965 0.462 1.00 0.00 C ATOM 2014 O VAL A 124 4.283 4.193 -0.499 1.00 0.00 O ATOM 2015 CB VAL A 124 3.051 4.465 2.599 1.00 0.00 C ATOM 2016 CG1 VAL A 124 2.012 3.731 1.771 1.00 0.00 C ATOM 2017 CG2 VAL A 124 3.164 3.844 3.984 1.00 0.00 C ATOM 0 H VAL A 124 5.041 5.693 3.458 1.00 0.00 H new ATOM 0 HA VAL A 124 4.801 3.435 1.864 1.00 0.00 H new ATOM 0 HB VAL A 124 2.732 5.501 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 124 1.054 3.748 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.908 4.219 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 124 2.327 2.698 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.189 3.860 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.508 2.814 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.876 4.413 4.581 1.00 0.00 H new ATOM 2027 N ASP A 125 4.061 6.273 0.336 1.00 0.00 N ATOM 2028 CA ASP A 125 3.852 6.896 -0.963 1.00 0.00 C ATOM 2029 C ASP A 125 5.033 6.640 -1.887 1.00 0.00 C ATOM 2030 O ASP A 125 4.848 6.235 -3.027 1.00 0.00 O ATOM 2031 CB ASP A 125 3.628 8.401 -0.814 1.00 0.00 C ATOM 2032 CG ASP A 125 3.497 9.096 -2.153 1.00 0.00 C ATOM 2033 OD1 ASP A 125 2.426 8.975 -2.788 1.00 0.00 O ATOM 2034 OD2 ASP A 125 4.463 9.767 -2.573 1.00 0.00 O ATOM 0 H ASP A 125 4.056 6.925 1.121 1.00 0.00 H new ATOM 0 HA ASP A 125 2.961 6.449 -1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 125 2.727 8.576 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.459 8.837 -0.260 1.00 0.00 H new ATOM 2039 N ALA A 126 6.245 6.843 -1.379 1.00 0.00 N ATOM 2040 CA ALA A 126 7.454 6.679 -2.185 1.00 0.00 C ATOM 2041 C ALA A 126 7.550 5.273 -2.776 1.00 0.00 C ATOM 2042 O ALA A 126 7.989 5.096 -3.912 1.00 0.00 O ATOM 2043 CB ALA A 126 8.689 6.988 -1.352 1.00 0.00 C ATOM 0 H ALA A 126 6.418 7.121 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 126 7.398 7.384 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.582 6.862 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.638 8.016 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.734 6.308 -0.501 1.00 0.00 H new ATOM 2049 N LEU A 127 7.130 4.282 -2.006 1.00 0.00 N ATOM 2050 CA LEU A 127 7.195 2.895 -2.448 1.00 0.00 C ATOM 2051 C LEU A 127 6.117 2.585 -3.489 1.00 0.00 C ATOM 2052 O LEU A 127 6.396 1.965 -4.512 1.00 0.00 O ATOM 2053 CB LEU A 127 7.058 1.949 -1.253 1.00 0.00 C ATOM 2054 CG LEU A 127 8.215 1.994 -0.247 1.00 0.00 C ATOM 2055 CD1 LEU A 127 7.922 1.102 0.952 1.00 0.00 C ATOM 2056 CD2 LEU A 127 9.512 1.567 -0.914 1.00 0.00 C ATOM 0 H LEU A 127 6.740 4.410 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 127 8.167 2.743 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 127 6.132 2.185 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.962 0.929 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 127 8.322 3.020 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.756 1.149 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.013 1.444 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.788 0.074 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 127 10.324 1.604 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.409 0.550 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 127 9.734 2.241 -1.742 1.00 0.00 H new ATOM 2068 N VAL A 128 4.896 3.034 -3.235 1.00 0.00 N ATOM 2069 CA VAL A 128 3.763 2.676 -4.087 1.00 0.00 C ATOM 2070 C VAL A 128 3.667 3.571 -5.324 1.00 0.00 C ATOM 2071 O VAL A 128 3.327 3.106 -6.410 1.00 0.00 O ATOM 2072 CB VAL A 128 2.428 2.750 -3.307 1.00 0.00 C ATOM 2073 CG1 VAL A 128 1.266 2.276 -4.167 1.00 0.00 C ATOM 2074 CG2 VAL A 128 2.506 1.934 -2.027 1.00 0.00 C ATOM 0 H VAL A 128 4.662 3.644 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 128 3.939 1.650 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 128 2.253 3.793 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 128 0.341 2.338 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.188 2.906 -5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.436 1.243 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.557 2.000 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.713 0.892 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.304 2.324 -1.395 1.00 0.00 H new ATOM 2084 N ASP A 129 3.974 4.847 -5.160 1.00 0.00 N ATOM 2085 CA ASP A 129 3.769 5.831 -6.221 1.00 0.00 C ATOM 2086 C ASP A 129 4.858 5.752 -7.290 1.00 0.00 C ATOM 2087 O ASP A 129 4.638 6.160 -8.435 1.00 0.00 O ATOM 2088 CB ASP A 129 3.722 7.236 -5.616 1.00 0.00 C ATOM 2089 CG ASP A 129 3.383 8.314 -6.625 1.00 0.00 C ATOM 2090 OD1 ASP A 129 2.226 8.354 -7.095 1.00 0.00 O ATOM 2091 OD2 ASP A 129 4.263 9.141 -6.937 1.00 0.00 O ATOM 0 H ASP A 129 4.368 5.231 -4.301 1.00 0.00 H new ATOM 0 HA ASP A 129 2.820 5.608 -6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.984 7.254 -4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.688 7.462 -5.165 1.00 0.00 H new ATOM 2096 N SER A 130 6.012 5.202 -6.921 1.00 0.00 N ATOM 2097 CA SER A 130 7.166 5.147 -7.815 1.00 0.00 C ATOM 2098 C SER A 130 6.845 4.393 -9.109 1.00 0.00 C ATOM 2099 O SER A 130 6.037 3.462 -9.121 1.00 0.00 O ATOM 2100 CB SER A 130 8.346 4.490 -7.098 1.00 0.00 C ATOM 2101 OG SER A 130 8.013 3.182 -6.670 1.00 0.00 O ATOM 0 H SER A 130 6.173 4.786 -6.004 1.00 0.00 H new ATOM 0 HA SER A 130 7.429 6.169 -8.088 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.206 4.450 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.637 5.095 -6.239 1.00 0.00 H new ATOM 0 HG SER A 130 8.821 2.627 -6.656 1.00 0.00 H new ATOM 2107 N GLN A 131 7.501 4.794 -10.189 1.00 0.00 N ATOM 2108 CA GLN A 131 7.223 4.256 -11.512 1.00 0.00 C ATOM 2109 C GLN A 131 7.729 2.816 -11.622 1.00 0.00 C ATOM 2110 O GLN A 131 7.071 1.953 -12.218 1.00 0.00 O ATOM 2111 CB GLN A 131 7.887 5.157 -12.565 1.00 0.00 C ATOM 2112 CG GLN A 131 7.309 5.024 -13.965 1.00 0.00 C ATOM 2113 CD GLN A 131 7.745 3.762 -14.680 1.00 0.00 C ATOM 2114 OE1 GLN A 131 8.854 3.263 -14.483 1.00 0.00 O ATOM 2115 NE2 GLN A 131 6.868 3.233 -15.504 1.00 0.00 N ATOM 0 H GLN A 131 8.238 5.499 -10.173 1.00 0.00 H new ATOM 0 HA GLN A 131 6.147 4.239 -11.684 1.00 0.00 H new ATOM 0 HB2 GLN A 131 7.796 6.195 -12.245 1.00 0.00 H new ATOM 0 HB3 GLN A 131 8.952 4.927 -12.602 1.00 0.00 H new ATOM 0 HG2 GLN A 131 6.221 5.040 -13.904 1.00 0.00 H new ATOM 0 HG3 GLN A 131 7.608 5.889 -14.557 1.00 0.00 H new ATOM 0 HE21 GLN A 131 5.960 3.679 -15.638 1.00 0.00 H new ATOM 0 HE22 GLN A 131 7.095 2.377 -16.009 1.00 0.00 H new ATOM 2124 N GLU A 132 8.893 2.566 -11.027 1.00 0.00 N ATOM 2125 CA GLU A 132 9.522 1.247 -11.072 1.00 0.00 C ATOM 2126 C GLU A 132 8.575 0.162 -10.562 1.00 0.00 C ATOM 2127 O GLU A 132 8.244 -0.780 -11.289 1.00 0.00 O ATOM 2128 CB GLU A 132 10.811 1.240 -10.242 1.00 0.00 C ATOM 2129 CG GLU A 132 11.833 2.280 -10.681 1.00 0.00 C ATOM 2130 CD GLU A 132 13.115 2.224 -9.870 1.00 0.00 C ATOM 2131 OE1 GLU A 132 13.192 2.888 -8.813 1.00 0.00 O ATOM 2132 OE2 GLU A 132 14.060 1.525 -10.291 1.00 0.00 O ATOM 0 H GLU A 132 9.423 3.264 -10.505 1.00 0.00 H new ATOM 0 HA GLU A 132 9.763 1.032 -12.113 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.559 1.412 -9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.265 0.251 -10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 132 12.068 2.129 -11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 132 11.395 3.274 -10.591 1.00 0.00 H new ATOM 2139 N TYR A 133 8.118 0.314 -9.326 1.00 0.00 N ATOM 2140 CA TYR A 133 7.271 -0.693 -8.700 1.00 0.00 C ATOM 2141 C TYR A 133 5.860 -0.655 -9.282 1.00 0.00 C ATOM 2142 O TYR A 133 5.141 -1.656 -9.239 1.00 0.00 O ATOM 2143 CB TYR A 133 7.232 -0.499 -7.182 1.00 0.00 C ATOM 2144 CG TYR A 133 8.604 -0.518 -6.540 1.00 0.00 C ATOM 2145 CD1 TYR A 133 9.473 -1.581 -6.745 1.00 0.00 C ATOM 2146 CD2 TYR A 133 9.029 0.531 -5.737 1.00 0.00 C ATOM 2147 CE1 TYR A 133 10.728 -1.595 -6.167 1.00 0.00 C ATOM 2148 CE2 TYR A 133 10.281 0.524 -5.155 1.00 0.00 C ATOM 2149 CZ TYR A 133 11.127 -0.540 -5.374 1.00 0.00 C ATOM 2150 OH TYR A 133 12.378 -0.546 -4.803 1.00 0.00 O ATOM 0 H TYR A 133 8.319 1.123 -8.738 1.00 0.00 H new ATOM 0 HA TYR A 133 7.699 -1.673 -8.910 1.00 0.00 H new ATOM 0 HB2 TYR A 133 6.746 0.450 -6.956 1.00 0.00 H new ATOM 0 HB3 TYR A 133 6.620 -1.284 -6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 133 9.164 -2.409 -7.365 1.00 0.00 H new ATOM 0 HD2 TYR A 133 8.369 1.368 -5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 133 11.393 -2.429 -6.336 1.00 0.00 H new ATOM 0 HE2 TYR A 133 10.595 1.348 -4.532 1.00 0.00 H new ATOM 0 HH TYR A 133 12.501 0.271 -4.276 1.00 0.00 H new ATOM 2160 N ALA A 134 5.486 0.498 -9.845 1.00 0.00 N ATOM 2161 CA ALA A 134 4.177 0.671 -10.470 1.00 0.00 C ATOM 2162 C ALA A 134 3.933 -0.388 -11.536 1.00 0.00 C ATOM 2163 O ALA A 134 2.926 -1.093 -11.504 1.00 0.00 O ATOM 2164 CB ALA A 134 4.063 2.060 -11.085 1.00 0.00 C ATOM 0 H ALA A 134 6.077 1.328 -9.879 1.00 0.00 H new ATOM 0 HA ALA A 134 3.419 0.559 -9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.082 2.174 -11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.188 2.814 -10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.837 2.188 -11.841 1.00 0.00 H new ATOM 2170 N ASP A 135 4.860 -0.497 -12.477 1.00 0.00 N ATOM 2171 CA ASP A 135 4.734 -1.482 -13.550 1.00 0.00 C ATOM 2172 C ASP A 135 5.217 -2.859 -13.114 1.00 0.00 C ATOM 2173 O ASP A 135 4.824 -3.873 -13.694 1.00 0.00 O ATOM 2174 CB ASP A 135 5.491 -1.031 -14.798 1.00 0.00 C ATOM 2175 CG ASP A 135 4.712 -0.010 -15.601 1.00 0.00 C ATOM 2176 OD1 ASP A 135 3.770 -0.405 -16.319 1.00 0.00 O ATOM 2177 OD2 ASP A 135 5.035 1.189 -15.522 1.00 0.00 O ATOM 0 H ASP A 135 5.702 0.077 -12.523 1.00 0.00 H new ATOM 0 HA ASP A 135 3.673 -1.558 -13.790 1.00 0.00 H new ATOM 0 HB2 ASP A 135 6.451 -0.605 -14.505 1.00 0.00 H new ATOM 0 HB3 ASP A 135 5.705 -1.897 -15.424 1.00 0.00 H new ATOM 2182 N TYR A 136 6.065 -2.898 -12.092 1.00 0.00 N ATOM 2183 CA TYR A 136 6.593 -4.156 -11.590 1.00 0.00 C ATOM 2184 C TYR A 136 5.476 -5.016 -10.998 1.00 0.00 C ATOM 2185 O TYR A 136 5.316 -6.180 -11.367 1.00 0.00 O ATOM 2186 CB TYR A 136 7.684 -3.895 -10.548 1.00 0.00 C ATOM 2187 CG TYR A 136 8.222 -5.150 -9.905 1.00 0.00 C ATOM 2188 CD1 TYR A 136 9.084 -5.994 -10.592 1.00 0.00 C ATOM 2189 CD2 TYR A 136 7.863 -5.492 -8.611 1.00 0.00 C ATOM 2190 CE1 TYR A 136 9.573 -7.146 -10.003 1.00 0.00 C ATOM 2191 CE2 TYR A 136 8.345 -6.637 -8.014 1.00 0.00 C ATOM 2192 CZ TYR A 136 9.199 -7.462 -8.712 1.00 0.00 C ATOM 2193 OH TYR A 136 9.676 -8.606 -8.114 1.00 0.00 O ATOM 0 H TYR A 136 6.400 -2.072 -11.597 1.00 0.00 H new ATOM 0 HA TYR A 136 7.033 -4.703 -12.424 1.00 0.00 H new ATOM 0 HB2 TYR A 136 8.506 -3.359 -11.022 1.00 0.00 H new ATOM 0 HB3 TYR A 136 7.284 -3.243 -9.772 1.00 0.00 H new ATOM 0 HD1 TYR A 136 9.377 -5.747 -11.602 1.00 0.00 H new ATOM 0 HD2 TYR A 136 7.193 -4.849 -8.060 1.00 0.00 H new ATOM 0 HE1 TYR A 136 10.243 -7.794 -10.549 1.00 0.00 H new ATOM 0 HE2 TYR A 136 8.055 -6.886 -7.004 1.00 0.00 H new ATOM 0 HH TYR A 136 9.315 -8.675 -7.206 1.00 0.00 H new ATOM 2203 N PHE A 137 4.707 -4.439 -10.083 1.00 0.00 N ATOM 2204 CA PHE A 137 3.596 -5.159 -9.467 1.00 0.00 C ATOM 2205 C PHE A 137 2.334 -5.017 -10.304 1.00 0.00 C ATOM 2206 O PHE A 137 1.591 -5.980 -10.500 1.00 0.00 O ATOM 2207 CB PHE A 137 3.321 -4.639 -8.053 1.00 0.00 C ATOM 2208 CG PHE A 137 4.396 -4.968 -7.062 1.00 0.00 C ATOM 2209 CD1 PHE A 137 4.476 -6.237 -6.507 1.00 0.00 C ATOM 2210 CD2 PHE A 137 5.326 -4.015 -6.681 1.00 0.00 C ATOM 2211 CE1 PHE A 137 5.462 -6.546 -5.592 1.00 0.00 C ATOM 2212 CE2 PHE A 137 6.313 -4.318 -5.765 1.00 0.00 C ATOM 2213 CZ PHE A 137 6.381 -5.585 -5.221 1.00 0.00 C ATOM 0 H PHE A 137 4.829 -3.482 -9.752 1.00 0.00 H new ATOM 0 HA PHE A 137 3.878 -6.210 -9.412 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.197 -3.557 -8.093 1.00 0.00 H new ATOM 0 HB3 PHE A 137 2.377 -5.055 -7.701 1.00 0.00 H new ATOM 0 HD1 PHE A 137 3.759 -6.992 -6.794 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.278 -3.023 -7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 137 5.514 -7.538 -5.167 1.00 0.00 H new ATOM 0 HE2 PHE A 137 7.031 -3.565 -5.474 1.00 0.00 H new ATOM 0 HZ PHE A 137 7.153 -5.824 -4.505 1.00 0.00 H new ATOM 2223 N GLY A 138 2.116 -3.816 -10.811 1.00 0.00 N ATOM 2224 CA GLY A 138 0.879 -3.515 -11.489 1.00 0.00 C ATOM 2225 C GLY A 138 -0.056 -2.746 -10.583 1.00 0.00 C ATOM 2226 O GLY A 138 -0.685 -3.328 -9.701 1.00 0.00 O ATOM 0 H GLY A 138 2.778 -3.042 -10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.084 -2.932 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 138 0.401 -4.440 -11.811 1.00 0.00 H new ATOM 2230 N GLU A 139 -0.150 -1.442 -10.797 1.00 0.00 N ATOM 2231 CA GLU A 139 -0.956 -0.573 -9.943 1.00 0.00 C ATOM 2232 C GLU A 139 -2.454 -0.832 -10.118 1.00 0.00 C ATOM 2233 O GLU A 139 -3.286 -0.245 -9.423 1.00 0.00 O ATOM 2234 CB GLU A 139 -0.624 0.895 -10.219 1.00 0.00 C ATOM 2235 CG GLU A 139 -0.607 1.268 -11.693 1.00 0.00 C ATOM 2236 CD GLU A 139 -0.234 2.720 -11.919 1.00 0.00 C ATOM 2237 OE1 GLU A 139 0.924 3.097 -11.637 1.00 0.00 O ATOM 2238 OE2 GLU A 139 -1.092 3.495 -12.387 1.00 0.00 O ATOM 0 H GLU A 139 0.324 -0.957 -11.559 1.00 0.00 H new ATOM 0 HA GLU A 139 -0.708 -0.803 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.353 1.522 -9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.351 1.122 -9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 139 0.102 0.628 -12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.590 1.077 -12.124 1.00 0.00 H new ATOM 2245 N GLU A 140 -2.784 -1.708 -11.054 1.00 0.00 N ATOM 2246 CA GLU A 140 -4.158 -2.144 -11.254 1.00 0.00 C ATOM 2247 C GLU A 140 -4.449 -3.363 -10.383 1.00 0.00 C ATOM 2248 O GLU A 140 -5.591 -3.612 -9.993 1.00 0.00 O ATOM 2249 CB GLU A 140 -4.374 -2.492 -12.725 1.00 0.00 C ATOM 2250 CG GLU A 140 -4.082 -1.337 -13.661 1.00 0.00 C ATOM 2251 CD GLU A 140 -3.800 -1.791 -15.076 1.00 0.00 C ATOM 2252 OE1 GLU A 140 -2.725 -2.391 -15.304 1.00 0.00 O ATOM 2253 OE2 GLU A 140 -4.640 -1.551 -15.965 1.00 0.00 O ATOM 0 H GLU A 140 -2.113 -2.135 -11.693 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.836 -1.339 -10.971 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.736 -3.336 -12.989 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.405 -2.815 -12.868 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.932 -0.654 -13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.225 -0.778 -13.285 1.00 0.00 H new ATOM 2260 N THR A 141 -3.400 -4.109 -10.081 1.00 0.00 N ATOM 2261 CA THR A 141 -3.513 -5.346 -9.332 1.00 0.00 C ATOM 2262 C THR A 141 -3.206 -5.110 -7.854 1.00 0.00 C ATOM 2263 O THR A 141 -2.554 -4.128 -7.499 1.00 0.00 O ATOM 2264 CB THR A 141 -2.537 -6.398 -9.907 1.00 0.00 C ATOM 2265 OG1 THR A 141 -2.655 -6.431 -11.337 1.00 0.00 O ATOM 2266 CG2 THR A 141 -2.815 -7.788 -9.350 1.00 0.00 C ATOM 0 H THR A 141 -2.445 -3.872 -10.349 1.00 0.00 H new ATOM 0 HA THR A 141 -4.535 -5.713 -9.421 1.00 0.00 H new ATOM 0 HB THR A 141 -1.527 -6.110 -9.615 1.00 0.00 H new ATOM 0 HG1 THR A 141 -2.035 -7.097 -11.701 1.00 0.00 H new ATOM 0 HG21 THR A 141 -2.109 -8.499 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 141 -2.704 -7.774 -8.266 1.00 0.00 H new ATOM 0 HG23 THR A 141 -3.831 -8.087 -9.607 1.00 0.00 H new ATOM 2274 N VAL A 142 -3.700 -5.991 -6.993 1.00 0.00 N ATOM 2275 CA VAL A 142 -3.327 -5.963 -5.588 1.00 0.00 C ATOM 2276 C VAL A 142 -1.896 -6.465 -5.440 1.00 0.00 C ATOM 2277 O VAL A 142 -1.582 -7.577 -5.869 1.00 0.00 O ATOM 2278 CB VAL A 142 -4.269 -6.833 -4.723 1.00 0.00 C ATOM 2279 CG1 VAL A 142 -3.858 -6.793 -3.258 1.00 0.00 C ATOM 2280 CG2 VAL A 142 -5.713 -6.383 -4.881 1.00 0.00 C ATOM 0 H VAL A 142 -4.357 -6.730 -7.243 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.410 -4.934 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 142 -4.187 -7.863 -5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -4.537 -7.413 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.841 -7.171 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -3.901 -5.766 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -6.359 -7.008 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -5.807 -5.344 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -6.010 -6.474 -5.926 1.00 0.00 H new ATOM 2290 N PRO A 143 -1.003 -5.639 -4.867 1.00 0.00 N ATOM 2291 CA PRO A 143 0.409 -5.992 -4.691 1.00 0.00 C ATOM 2292 C PRO A 143 0.587 -7.289 -3.909 1.00 0.00 C ATOM 2293 O PRO A 143 0.395 -7.331 -2.693 1.00 0.00 O ATOM 2294 CB PRO A 143 0.987 -4.805 -3.911 1.00 0.00 C ATOM 2295 CG PRO A 143 0.059 -3.675 -4.194 1.00 0.00 C ATOM 2296 CD PRO A 143 -1.300 -4.292 -4.352 1.00 0.00 C ATOM 0 HA PRO A 143 0.906 -6.166 -5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.035 -5.019 -2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 143 2.002 -4.574 -4.236 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.067 -2.949 -3.381 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.355 -3.143 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.836 -4.333 -3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -1.921 -3.724 -5.045 1.00 0.00 H new