USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 528 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 38 GLN : amide:sc= 0.442 K(o=-5.7,f=-6.8) USER MOD Set 1.2: A 77 MET CE :methyl 146:sc= -6.17! (180deg=-8.05!) USER MOD Single : A 17 THR OG1 : rot 23:sc= 0.164 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.303 USER MOD Single : A 44 ASN : amide:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 45 THR OG1 : rot -149:sc= 0.0124 USER MOD Single : A 46 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.2) USER MOD Single : A 47 MET CE :methyl 152:sc= -0.329 (180deg=-1.21) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -0.0442 (180deg=-0.36) USER MOD Single : A 83 TYR OH : rot 30:sc= -0.146 USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= -0.411 (180deg=-2.49!) USER MOD Single : A 90 ASN : amide:sc= -2.12 X(o=-2.1,f=-2.5) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.695 4.285 1.536 1.00 0.00 N ATOM 203 CA THR A 17 4.256 3.044 2.055 1.00 0.00 C ATOM 204 C THR A 17 3.311 2.391 3.058 1.00 0.00 C ATOM 205 O THR A 17 2.536 3.071 3.730 1.00 0.00 O ATOM 206 CB THR A 17 5.619 3.284 2.731 1.00 0.00 C ATOM 207 OG1 THR A 17 6.481 4.013 1.851 1.00 0.00 O ATOM 208 CG2 THR A 17 6.273 1.964 3.112 1.00 0.00 C ATOM 0 HA THR A 17 4.394 2.378 1.203 1.00 0.00 H new ATOM 0 HB THR A 17 5.453 3.865 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.941 4.511 1.202 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.234 2.158 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.627 1.425 3.805 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.426 1.362 2.216 1.00 0.00 H new ATOM 216 N VAL A 18 3.381 1.067 3.153 1.00 0.00 N ATOM 217 CA VAL A 18 2.533 0.321 4.076 1.00 0.00 C ATOM 218 C VAL A 18 3.355 -0.295 5.202 1.00 0.00 C ATOM 219 O VAL A 18 4.526 -0.628 5.019 1.00 0.00 O ATOM 220 CB VAL A 18 1.759 -0.795 3.349 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.225 -0.294 2.016 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.645 -2.016 3.153 1.00 0.00 C ATOM 0 H VAL A 18 4.016 0.489 2.602 1.00 0.00 H new ATOM 0 HA VAL A 18 1.821 1.031 4.497 1.00 0.00 H new ATOM 0 HB VAL A 18 0.909 -1.086 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.681 -1.096 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.554 0.548 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.057 0.026 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.083 -2.795 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.515 -1.742 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.973 -2.387 4.124 1.00 0.00 H new ATOM 232 N TYR A 19 2.734 -0.445 6.366 1.00 0.00 N ATOM 233 CA TYR A 19 3.409 -1.020 7.524 1.00 0.00 C ATOM 234 C TYR A 19 3.082 -2.504 7.664 1.00 0.00 C ATOM 235 O TYR A 19 1.999 -2.873 8.118 1.00 0.00 O ATOM 236 CB TYR A 19 3.005 -0.275 8.798 1.00 0.00 C ATOM 237 CG TYR A 19 3.793 -0.693 10.019 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.617 -1.949 10.587 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.713 0.168 10.605 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.334 -2.335 11.703 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.435 -0.210 11.720 1.00 0.00 C ATOM 242 CZ TYR A 19 5.242 -1.462 12.265 1.00 0.00 C ATOM 243 OH TYR A 19 5.959 -1.842 13.377 1.00 0.00 O ATOM 0 H TYR A 19 1.764 -0.177 6.533 1.00 0.00 H new ATOM 0 HA TYR A 19 4.484 -0.916 7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.136 0.795 8.640 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.944 -0.442 8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.908 -2.635 10.148 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.866 1.150 10.181 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.184 -3.314 12.133 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.147 0.471 12.163 1.00 0.00 H new ATOM 0 HH TYR A 19 6.555 -1.113 13.647 1.00 0.00 H new ATOM 253 N VAL A 20 4.028 -3.351 7.270 1.00 0.00 N ATOM 254 CA VAL A 20 3.843 -4.795 7.352 1.00 0.00 C ATOM 255 C VAL A 20 4.441 -5.353 8.638 1.00 0.00 C ATOM 256 O VAL A 20 5.659 -5.393 8.803 1.00 0.00 O ATOM 257 CB VAL A 20 4.483 -5.512 6.148 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.220 -7.008 6.216 1.00 0.00 C ATOM 259 CG2 VAL A 20 3.961 -4.930 4.843 1.00 0.00 C ATOM 0 H VAL A 20 4.930 -3.062 6.891 1.00 0.00 H new ATOM 0 HA VAL A 20 2.768 -4.978 7.345 1.00 0.00 H new ATOM 0 HB VAL A 20 5.561 -5.355 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.680 -7.498 5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.646 -7.411 7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.145 -7.189 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.423 -5.448 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.879 -5.055 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.206 -3.869 4.794 1.00 0.00 H new ATOM 269 N GLY A 21 3.573 -5.784 9.549 1.00 0.00 N ATOM 270 CA GLY A 21 4.034 -6.335 10.810 1.00 0.00 C ATOM 271 C GLY A 21 3.591 -7.771 11.012 1.00 0.00 C ATOM 272 O GLY A 21 2.397 -8.050 11.116 1.00 0.00 O ATOM 0 H GLY A 21 2.560 -5.761 9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.122 -6.285 10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.657 -5.723 11.630 1.00 0.00 H new ATOM 276 N GLY A 22 4.555 -8.685 11.066 1.00 0.00 N ATOM 277 CA GLY A 22 4.238 -10.088 11.255 1.00 0.00 C ATOM 278 C GLY A 22 4.585 -10.929 10.043 1.00 0.00 C ATOM 279 O GLY A 22 3.719 -11.586 9.465 1.00 0.00 O ATOM 0 H GLY A 22 5.550 -8.478 10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.779 -10.466 12.123 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.175 -10.191 11.473 1.00 0.00 H new ATOM 283 N LEU A 23 5.856 -10.909 9.656 1.00 0.00 N ATOM 284 CA LEU A 23 6.317 -11.675 8.503 1.00 0.00 C ATOM 285 C LEU A 23 7.188 -12.847 8.941 1.00 0.00 C ATOM 286 O LEU A 23 8.150 -12.673 9.690 1.00 0.00 O ATOM 287 CB LEU A 23 7.098 -10.773 7.546 1.00 0.00 C ATOM 288 CG LEU A 23 6.339 -9.568 6.988 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.290 -8.624 6.269 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.228 -10.023 6.053 1.00 0.00 C ATOM 0 H LEU A 23 6.585 -10.371 10.124 1.00 0.00 H new ATOM 0 HA LEU A 23 5.442 -12.070 7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.985 -10.410 8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.444 -11.379 6.708 1.00 0.00 H new ATOM 0 HG LEU A 23 5.887 -9.030 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.732 -7.773 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.049 -8.271 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.772 -9.151 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.699 -9.152 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.658 -10.585 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.530 -10.658 6.599 1.00 0.00 H new ATOM 302 N ASP A 24 6.848 -14.040 8.467 1.00 0.00 N ATOM 303 CA ASP A 24 7.601 -15.242 8.807 1.00 0.00 C ATOM 304 C ASP A 24 8.940 -15.268 8.077 1.00 0.00 C ATOM 305 O ASP A 24 9.187 -14.456 7.185 1.00 0.00 O ATOM 306 CB ASP A 24 6.792 -16.492 8.460 1.00 0.00 C ATOM 307 CG ASP A 24 7.279 -17.721 9.202 1.00 0.00 C ATOM 308 OD1 ASP A 24 7.543 -17.615 10.418 1.00 0.00 O ATOM 309 OD2 ASP A 24 7.396 -18.790 8.566 1.00 0.00 O ATOM 0 H ASP A 24 6.055 -14.201 7.846 1.00 0.00 H new ATOM 0 HA ASP A 24 7.793 -15.230 9.880 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.742 -16.320 8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.850 -16.672 7.387 1.00 0.00 H new ATOM 314 N GLU A 25 9.800 -16.205 8.462 1.00 0.00 N ATOM 315 CA GLU A 25 11.115 -16.335 7.844 1.00 0.00 C ATOM 316 C GLU A 25 10.998 -16.401 6.324 1.00 0.00 C ATOM 317 O GLU A 25 11.778 -15.780 5.602 1.00 0.00 O ATOM 318 CB GLU A 25 11.827 -17.585 8.366 1.00 0.00 C ATOM 319 CG GLU A 25 11.059 -18.872 8.116 1.00 0.00 C ATOM 320 CD GLU A 25 11.889 -20.110 8.395 1.00 0.00 C ATOM 321 OE1 GLU A 25 12.938 -20.281 7.738 1.00 0.00 O ATOM 322 OE2 GLU A 25 11.491 -20.908 9.269 1.00 0.00 O ATOM 0 H GLU A 25 9.611 -16.885 9.198 1.00 0.00 H new ATOM 0 HA GLU A 25 11.701 -15.455 8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.807 -17.659 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.997 -17.475 9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.168 -18.887 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.719 -18.893 7.081 1.00 0.00 H new ATOM 329 N LYS A 26 10.017 -17.159 5.844 1.00 0.00 N ATOM 330 CA LYS A 26 9.795 -17.307 4.411 1.00 0.00 C ATOM 331 C LYS A 26 9.761 -15.946 3.722 1.00 0.00 C ATOM 332 O LYS A 26 10.534 -15.686 2.800 1.00 0.00 O ATOM 333 CB LYS A 26 8.486 -18.055 4.151 1.00 0.00 C ATOM 334 CG LYS A 26 8.654 -19.562 4.063 1.00 0.00 C ATOM 335 CD LYS A 26 8.930 -20.010 2.638 1.00 0.00 C ATOM 336 CE LYS A 26 7.642 -20.164 1.843 1.00 0.00 C ATOM 337 NZ LYS A 26 7.855 -20.935 0.587 1.00 0.00 N ATOM 0 H LYS A 26 9.363 -17.680 6.428 1.00 0.00 H new ATOM 0 HA LYS A 26 10.623 -17.883 3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.780 -17.822 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.048 -17.692 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.474 -19.876 4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.752 -20.052 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.578 -19.284 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.466 -20.959 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.895 -20.668 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.244 -19.178 1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.954 -21.018 0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.549 -20.442 -0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.210 -21.885 0.819 1.00 0.00 H new ATOM 351 N VAL A 27 8.860 -15.081 4.177 1.00 0.00 N ATOM 352 CA VAL A 27 8.727 -13.745 3.606 1.00 0.00 C ATOM 353 C VAL A 27 10.081 -13.194 3.176 1.00 0.00 C ATOM 354 O VAL A 27 11.095 -13.428 3.834 1.00 0.00 O ATOM 355 CB VAL A 27 8.082 -12.769 4.608 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.041 -11.362 4.031 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.685 -13.240 4.986 1.00 0.00 C ATOM 0 H VAL A 27 8.212 -15.281 4.939 1.00 0.00 H new ATOM 0 HA VAL A 27 8.082 -13.836 2.732 1.00 0.00 H new ATOM 0 HB VAL A 27 8.691 -12.748 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.582 -10.686 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.056 -11.028 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.456 -11.363 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.244 -12.539 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.064 -13.291 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.745 -14.228 5.443 1.00 0.00 H new ATOM 367 N SER A 28 10.091 -12.460 2.069 1.00 0.00 N ATOM 368 CA SER A 28 11.322 -11.877 1.548 1.00 0.00 C ATOM 369 C SER A 28 11.061 -10.493 0.959 1.00 0.00 C ATOM 370 O SER A 28 9.915 -10.115 0.720 1.00 0.00 O ATOM 371 CB SER A 28 11.933 -12.790 0.484 1.00 0.00 C ATOM 372 OG SER A 28 13.327 -12.565 0.359 1.00 0.00 O ATOM 0 H SER A 28 9.260 -12.254 1.515 1.00 0.00 H new ATOM 0 HA SER A 28 12.025 -11.774 2.375 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.752 -13.832 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.445 -12.614 -0.475 1.00 0.00 H new ATOM 0 HG SER A 28 13.695 -13.162 -0.326 1.00 0.00 H new ATOM 378 N GLU A 29 12.134 -9.744 0.728 1.00 0.00 N ATOM 379 CA GLU A 29 12.022 -8.402 0.168 1.00 0.00 C ATOM 380 C GLU A 29 11.372 -8.442 -1.213 1.00 0.00 C ATOM 381 O GLU A 29 10.353 -7.798 -1.466 1.00 0.00 O ATOM 382 CB GLU A 29 13.401 -7.747 0.075 1.00 0.00 C ATOM 383 CG GLU A 29 13.760 -6.909 1.291 1.00 0.00 C ATOM 384 CD GLU A 29 15.250 -6.894 1.570 1.00 0.00 C ATOM 385 OE1 GLU A 29 15.850 -7.985 1.653 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.816 -5.789 1.706 1.00 0.00 O ATOM 0 H GLU A 29 13.090 -10.043 0.920 1.00 0.00 H new ATOM 0 HA GLU A 29 11.391 -7.811 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.155 -8.523 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.435 -7.116 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.412 -5.887 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.235 -7.298 2.163 1.00 0.00 H new ATOM 393 N PRO A 30 11.974 -9.215 -2.128 1.00 0.00 N ATOM 394 CA PRO A 30 11.472 -9.358 -3.498 1.00 0.00 C ATOM 395 C PRO A 30 10.163 -10.137 -3.557 1.00 0.00 C ATOM 396 O PRO A 30 9.632 -10.397 -4.638 1.00 0.00 O ATOM 397 CB PRO A 30 12.588 -10.130 -4.206 1.00 0.00 C ATOM 398 CG PRO A 30 13.278 -10.881 -3.119 1.00 0.00 C ATOM 399 CD PRO A 30 13.192 -10.010 -1.896 1.00 0.00 C ATOM 0 HA PRO A 30 11.248 -8.393 -3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.185 -10.806 -4.960 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.274 -9.455 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.800 -11.845 -2.946 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.316 -11.083 -3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.117 -10.603 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.072 -9.376 -1.792 1.00 0.00 H new ATOM 407 N LEU A 31 9.647 -10.508 -2.391 1.00 0.00 N ATOM 408 CA LEU A 31 8.399 -11.258 -2.310 1.00 0.00 C ATOM 409 C LEU A 31 7.206 -10.317 -2.174 1.00 0.00 C ATOM 410 O LEU A 31 6.220 -10.439 -2.902 1.00 0.00 O ATOM 411 CB LEU A 31 8.438 -12.226 -1.126 1.00 0.00 C ATOM 412 CG LEU A 31 7.146 -12.993 -0.843 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.876 -14.008 -1.943 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.220 -13.680 0.513 1.00 0.00 C ATOM 0 H LEU A 31 10.074 -10.302 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 31 8.286 -11.827 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.235 -12.949 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.706 -11.664 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 31 6.320 -12.282 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.953 -14.544 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.779 -13.492 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.703 -14.716 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.292 -14.221 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.056 -14.380 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.365 -12.932 1.292 1.00 0.00 H new ATOM 426 N LEU A 32 7.303 -9.379 -1.239 1.00 0.00 N ATOM 427 CA LEU A 32 6.233 -8.415 -1.009 1.00 0.00 C ATOM 428 C LEU A 32 5.938 -7.616 -2.274 1.00 0.00 C ATOM 429 O LEU A 32 4.780 -7.349 -2.595 1.00 0.00 O ATOM 430 CB LEU A 32 6.611 -7.466 0.130 1.00 0.00 C ATOM 431 CG LEU A 32 7.218 -8.117 1.373 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.586 -7.061 2.404 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.253 -9.133 1.968 1.00 0.00 C ATOM 0 H LEU A 32 8.112 -9.265 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 32 5.335 -8.966 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.320 -6.733 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.718 -6.918 0.431 1.00 0.00 H new ATOM 0 HG LEU A 32 8.128 -8.639 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.016 -7.544 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.314 -6.372 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.692 -6.510 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.701 -9.587 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.325 -8.633 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.040 -9.908 1.231 1.00 0.00 H new ATOM 445 N TRP A 33 6.992 -7.240 -2.990 1.00 0.00 N ATOM 446 CA TRP A 33 6.845 -6.474 -4.222 1.00 0.00 C ATOM 447 C TRP A 33 5.747 -7.063 -5.101 1.00 0.00 C ATOM 448 O TRP A 33 4.674 -6.478 -5.244 1.00 0.00 O ATOM 449 CB TRP A 33 8.168 -6.443 -4.988 1.00 0.00 C ATOM 450 CG TRP A 33 8.265 -5.307 -5.961 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.323 -4.926 -6.873 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.367 -4.406 -6.119 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.772 -3.843 -7.589 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.023 -3.504 -7.145 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.609 -4.273 -5.493 1.00 0.00 C ATOM 456 CZ2 TRP A 33 9.877 -2.485 -7.557 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.456 -3.261 -5.904 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.087 -2.378 -6.927 1.00 0.00 C ATOM 0 H TRP A 33 7.957 -7.453 -2.738 1.00 0.00 H new ATOM 0 HA TRP A 33 6.564 -5.455 -3.956 1.00 0.00 H new ATOM 0 HB2 TRP A 33 8.990 -6.373 -4.276 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.291 -7.383 -5.525 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.365 -5.406 -7.011 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.257 -3.368 -8.331 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.902 -4.948 -4.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.595 -1.803 -8.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.419 -3.149 -5.428 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.771 -1.597 -7.224 1.00 0.00 H new ATOM 469 N GLU A 34 6.024 -8.223 -5.688 1.00 0.00 N ATOM 470 CA GLU A 34 5.058 -8.889 -6.555 1.00 0.00 C ATOM 471 C GLU A 34 3.773 -9.206 -5.795 1.00 0.00 C ATOM 472 O GLU A 34 2.671 -9.024 -6.314 1.00 0.00 O ATOM 473 CB GLU A 34 5.656 -10.177 -7.126 1.00 0.00 C ATOM 474 CG GLU A 34 4.688 -10.964 -7.993 1.00 0.00 C ATOM 475 CD GLU A 34 3.680 -11.749 -7.177 1.00 0.00 C ATOM 476 OE1 GLU A 34 4.070 -12.769 -6.572 1.00 0.00 O ATOM 477 OE2 GLU A 34 2.499 -11.342 -7.143 1.00 0.00 O ATOM 0 H GLU A 34 6.908 -8.721 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 34 4.817 -8.213 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.539 -9.928 -7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.990 -10.809 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.159 -10.278 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.249 -11.650 -8.627 1.00 0.00 H new ATOM 484 N LEU A 35 3.923 -9.681 -4.563 1.00 0.00 N ATOM 485 CA LEU A 35 2.775 -10.024 -3.731 1.00 0.00 C ATOM 486 C LEU A 35 1.858 -8.819 -3.545 1.00 0.00 C ATOM 487 O LEU A 35 0.648 -8.968 -3.373 1.00 0.00 O ATOM 488 CB LEU A 35 3.244 -10.536 -2.368 1.00 0.00 C ATOM 489 CG LEU A 35 2.173 -10.628 -1.280 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.111 -11.648 -1.661 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.802 -10.984 0.059 1.00 0.00 C ATOM 0 H LEU A 35 4.828 -9.837 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 35 2.214 -10.811 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.680 -11.525 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.040 -9.883 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 35 1.694 -9.654 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.358 -11.700 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.639 -11.349 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.574 -12.627 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.025 -11.045 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.308 -11.946 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.524 -10.216 0.337 1.00 0.00 H new ATOM 503 N PHE A 36 2.441 -7.626 -3.585 1.00 0.00 N ATOM 504 CA PHE A 36 1.675 -6.395 -3.423 1.00 0.00 C ATOM 505 C PHE A 36 1.282 -5.817 -4.779 1.00 0.00 C ATOM 506 O PHE A 36 0.284 -5.104 -4.897 1.00 0.00 O ATOM 507 CB PHE A 36 2.486 -5.366 -2.633 1.00 0.00 C ATOM 508 CG PHE A 36 2.305 -5.473 -1.146 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.771 -6.581 -0.456 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.670 -4.467 -0.437 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.605 -6.683 0.912 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.501 -4.563 0.931 1.00 0.00 C ATOM 513 CZ PHE A 36 1.970 -5.672 1.607 1.00 0.00 C ATOM 0 H PHE A 36 3.441 -7.485 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 36 0.765 -6.632 -2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.543 -5.487 -2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.199 -4.365 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.270 -7.374 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.302 -3.597 -0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.971 -7.552 1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.003 -3.772 1.471 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.841 -5.749 2.676 1.00 0.00 H new ATOM 523 N LEU A 37 2.072 -6.129 -5.800 1.00 0.00 N ATOM 524 CA LEU A 37 1.807 -5.641 -7.149 1.00 0.00 C ATOM 525 C LEU A 37 0.317 -5.704 -7.469 1.00 0.00 C ATOM 526 O LEU A 37 -0.208 -4.858 -8.192 1.00 0.00 O ATOM 527 CB LEU A 37 2.595 -6.460 -8.173 1.00 0.00 C ATOM 528 CG LEU A 37 4.065 -6.077 -8.352 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.722 -6.960 -9.401 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.190 -4.609 -8.732 1.00 0.00 C ATOM 0 H LEU A 37 2.901 -6.718 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 37 2.127 -4.600 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.547 -7.510 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.097 -6.372 -9.139 1.00 0.00 H new ATOM 0 HG LEU A 37 4.580 -6.231 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.767 -6.673 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.664 -8.002 -9.087 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.206 -6.838 -10.354 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.242 -4.353 -8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.661 -4.429 -9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.756 -3.991 -7.945 1.00 0.00 H new ATOM 542 N GLN A 38 -0.358 -6.710 -6.922 1.00 0.00 N ATOM 543 CA GLN A 38 -1.788 -6.881 -7.148 1.00 0.00 C ATOM 544 C GLN A 38 -2.554 -5.616 -6.776 1.00 0.00 C ATOM 545 O GLN A 38 -3.450 -5.185 -7.501 1.00 0.00 O ATOM 546 CB GLN A 38 -2.315 -8.068 -6.339 1.00 0.00 C ATOM 547 CG GLN A 38 -1.678 -8.198 -4.965 1.00 0.00 C ATOM 548 CD GLN A 38 -2.436 -9.147 -4.058 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.641 -9.001 -3.856 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.731 -10.128 -3.507 1.00 0.00 N ATOM 0 H GLN A 38 0.062 -7.418 -6.320 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.941 -7.077 -8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.394 -7.967 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.140 -8.986 -6.900 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.652 -8.549 -5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.629 -7.215 -4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.733 -10.211 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.187 -10.799 -2.888 1.00 0.00 H new ATOM 559 N ALA A 39 -2.194 -5.026 -5.641 1.00 0.00 N ATOM 560 CA ALA A 39 -2.846 -3.809 -5.173 1.00 0.00 C ATOM 561 C ALA A 39 -2.483 -2.618 -6.053 1.00 0.00 C ATOM 562 O ALA A 39 -3.336 -1.796 -6.385 1.00 0.00 O ATOM 563 CB ALA A 39 -2.470 -3.532 -3.725 1.00 0.00 C ATOM 0 H ALA A 39 -1.455 -5.371 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.924 -3.957 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.964 -2.620 -3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.786 -4.368 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.390 -3.409 -3.647 1.00 0.00 H new ATOM 569 N GLY A 40 -1.211 -2.531 -6.428 1.00 0.00 N ATOM 570 CA GLY A 40 -0.757 -1.436 -7.266 1.00 0.00 C ATOM 571 C GLY A 40 0.679 -1.609 -7.718 1.00 0.00 C ATOM 572 O GLY A 40 1.358 -2.568 -7.349 1.00 0.00 O ATOM 0 H GLY A 40 -0.486 -3.199 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.403 -1.360 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.852 -0.499 -6.717 1.00 0.00 H new ATOM 576 N PRO A 41 1.164 -0.664 -8.538 1.00 0.00 N ATOM 577 CA PRO A 41 2.533 -0.694 -9.059 1.00 0.00 C ATOM 578 C PRO A 41 3.572 -0.425 -7.976 1.00 0.00 C ATOM 579 O PRO A 41 4.010 0.711 -7.789 1.00 0.00 O ATOM 580 CB PRO A 41 2.542 0.429 -10.099 1.00 0.00 C ATOM 581 CG PRO A 41 1.470 1.364 -9.655 1.00 0.00 C ATOM 582 CD PRO A 41 0.411 0.507 -9.018 1.00 0.00 C ATOM 0 HA PRO A 41 2.793 -1.672 -9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.511 0.927 -10.136 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.343 0.044 -11.099 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.859 2.095 -8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.065 1.922 -10.499 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.088 1.027 -8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.361 0.223 -9.734 1.00 0.00 H new ATOM 590 N VAL A 42 3.964 -1.477 -7.263 1.00 0.00 N ATOM 591 CA VAL A 42 4.953 -1.354 -6.199 1.00 0.00 C ATOM 592 C VAL A 42 6.239 -0.719 -6.715 1.00 0.00 C ATOM 593 O VAL A 42 6.764 -1.113 -7.757 1.00 0.00 O ATOM 594 CB VAL A 42 5.282 -2.725 -5.579 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.379 -2.588 -4.534 1.00 0.00 C ATOM 596 CG2 VAL A 42 4.034 -3.350 -4.974 1.00 0.00 C ATOM 0 H VAL A 42 3.611 -2.424 -7.403 1.00 0.00 H new ATOM 0 HA VAL A 42 4.517 -0.712 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 42 5.644 -3.384 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.598 -3.566 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.278 -2.186 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.047 -1.913 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.285 -4.318 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.640 -2.696 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.281 -3.485 -5.751 1.00 0.00 H new ATOM 606 N VAL A 43 6.743 0.266 -5.978 1.00 0.00 N ATOM 607 CA VAL A 43 7.970 0.955 -6.360 1.00 0.00 C ATOM 608 C VAL A 43 9.196 0.249 -5.793 1.00 0.00 C ATOM 609 O VAL A 43 10.145 -0.048 -6.518 1.00 0.00 O ATOM 610 CB VAL A 43 7.965 2.418 -5.878 1.00 0.00 C ATOM 611 CG1 VAL A 43 8.995 3.236 -6.642 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.577 3.022 -6.025 1.00 0.00 C ATOM 0 H VAL A 43 6.321 0.605 -5.113 1.00 0.00 H new ATOM 0 HA VAL A 43 8.016 0.939 -7.449 1.00 0.00 H new ATOM 0 HB VAL A 43 8.234 2.435 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.977 4.267 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.987 2.814 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.760 3.214 -7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.592 4.056 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.277 2.993 -7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.866 2.450 -5.428 1.00 0.00 H new ATOM 622 N ASN A 44 9.170 -0.018 -4.491 1.00 0.00 N ATOM 623 CA ASN A 44 10.280 -0.690 -3.826 1.00 0.00 C ATOM 624 C ASN A 44 9.829 -1.309 -2.506 1.00 0.00 C ATOM 625 O ASN A 44 8.778 -0.958 -1.970 1.00 0.00 O ATOM 626 CB ASN A 44 11.424 0.295 -3.577 1.00 0.00 C ATOM 627 CG ASN A 44 12.376 -0.186 -2.499 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.263 -1.000 -2.757 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.197 0.316 -1.283 1.00 0.00 N ATOM 0 H ASN A 44 8.392 0.221 -3.876 1.00 0.00 H new ATOM 0 HA ASN A 44 10.633 -1.488 -4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.976 0.448 -4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.011 1.262 -3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.808 0.029 -0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.449 0.988 -1.114 1.00 0.00 H new ATOM 636 N THR A 45 10.633 -2.231 -1.986 1.00 0.00 N ATOM 637 CA THR A 45 10.318 -2.899 -0.730 1.00 0.00 C ATOM 638 C THR A 45 11.363 -2.589 0.335 1.00 0.00 C ATOM 639 O THR A 45 12.555 -2.496 0.041 1.00 0.00 O ATOM 640 CB THR A 45 10.226 -4.426 -0.913 1.00 0.00 C ATOM 641 OG1 THR A 45 11.433 -4.923 -1.500 1.00 0.00 O ATOM 642 CG2 THR A 45 9.040 -4.795 -1.791 1.00 0.00 C ATOM 0 H THR A 45 11.508 -2.532 -2.416 1.00 0.00 H new ATOM 0 HA THR A 45 9.349 -2.520 -0.406 1.00 0.00 H new ATOM 0 HB THR A 45 10.087 -4.879 0.068 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.230 -5.710 -2.048 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.995 -5.878 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.120 -4.441 -1.327 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.154 -4.331 -2.770 1.00 0.00 H new ATOM 650 N HIS A 46 10.909 -2.430 1.575 1.00 0.00 N ATOM 651 CA HIS A 46 11.807 -2.131 2.685 1.00 0.00 C ATOM 652 C HIS A 46 11.637 -3.148 3.809 1.00 0.00 C ATOM 653 O HIS A 46 10.534 -3.349 4.316 1.00 0.00 O ATOM 654 CB HIS A 46 11.546 -0.721 3.214 1.00 0.00 C ATOM 655 CG HIS A 46 12.175 -0.454 4.546 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.434 -0.904 4.888 1.00 0.00 N ATOM 657 CD2 HIS A 46 11.714 0.221 5.625 1.00 0.00 C ATOM 658 CE1 HIS A 46 13.718 -0.518 6.119 1.00 0.00 C ATOM 659 NE2 HIS A 46 12.690 0.167 6.588 1.00 0.00 N ATOM 0 H HIS A 46 9.926 -2.503 1.836 1.00 0.00 H new ATOM 0 HA HIS A 46 12.832 -2.189 2.317 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.922 0.004 2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.470 -0.565 3.292 1.00 0.00 H new ATOM 0 HD2 HIS A 46 10.756 0.711 5.712 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.634 -0.727 6.651 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.631 0.587 7.515 1.00 0.00 H new ATOM 667 N MET A 47 12.737 -3.787 4.194 1.00 0.00 N ATOM 668 CA MET A 47 12.710 -4.783 5.259 1.00 0.00 C ATOM 669 C MET A 47 13.951 -4.674 6.138 1.00 0.00 C ATOM 670 O MET A 47 15.061 -5.019 5.732 1.00 0.00 O ATOM 671 CB MET A 47 12.612 -6.191 4.667 1.00 0.00 C ATOM 672 CG MET A 47 11.283 -6.472 3.984 1.00 0.00 C ATOM 673 SD MET A 47 11.003 -8.231 3.707 1.00 0.00 S ATOM 674 CE MET A 47 10.956 -8.836 5.392 1.00 0.00 C ATOM 0 H MET A 47 13.658 -3.633 3.784 1.00 0.00 H new ATOM 0 HA MET A 47 11.832 -4.594 5.877 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.418 -6.330 3.947 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.765 -6.922 5.461 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.474 -6.071 4.594 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.252 -5.948 3.029 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.331 -9.728 5.441 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.966 -9.083 5.718 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.542 -8.066 6.043 1.00 0.00 H new ATOM 684 N PRO A 48 13.763 -4.182 7.371 1.00 0.00 N ATOM 685 CA PRO A 48 14.857 -4.016 8.333 1.00 0.00 C ATOM 686 C PRO A 48 15.389 -5.351 8.841 1.00 0.00 C ATOM 687 O PRO A 48 14.621 -6.223 9.248 1.00 0.00 O ATOM 688 CB PRO A 48 14.208 -3.229 9.475 1.00 0.00 C ATOM 689 CG PRO A 48 12.758 -3.556 9.384 1.00 0.00 C ATOM 690 CD PRO A 48 12.467 -3.749 7.922 1.00 0.00 C ATOM 0 HA PRO A 48 15.719 -3.517 7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.620 -3.521 10.441 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.380 -2.158 9.366 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.525 -4.458 9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.150 -2.753 9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.692 -4.498 7.762 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.120 -2.827 7.456 1.00 0.00 H new ATOM 851 N TYR A 59 8.940 -7.816 10.240 1.00 0.00 N ATOM 852 CA TYR A 59 8.121 -6.719 9.739 1.00 0.00 C ATOM 853 C TYR A 59 8.835 -5.975 8.615 1.00 0.00 C ATOM 854 O TYR A 59 10.061 -5.864 8.609 1.00 0.00 O ATOM 855 CB TYR A 59 7.781 -5.750 10.872 1.00 0.00 C ATOM 856 CG TYR A 59 8.944 -4.879 11.293 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.973 -5.390 12.074 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.013 -3.546 10.909 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.036 -4.598 12.462 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.073 -2.746 11.290 1.00 0.00 C ATOM 861 CZ TYR A 59 11.082 -3.277 12.067 1.00 0.00 C ATOM 862 OH TYR A 59 12.140 -2.485 12.450 1.00 0.00 O ATOM 0 HA TYR A 59 7.198 -7.141 9.341 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.955 -5.112 10.558 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.434 -6.319 11.734 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.941 -6.424 12.383 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.224 -3.127 10.302 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.827 -5.011 13.071 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.112 -1.712 10.982 1.00 0.00 H new ATOM 0 HH TYR A 59 12.021 -1.582 12.088 1.00 0.00 H new ATOM 872 N GLY A 60 8.058 -5.466 7.664 1.00 0.00 N ATOM 873 CA GLY A 60 8.633 -4.738 6.547 1.00 0.00 C ATOM 874 C GLY A 60 7.754 -3.591 6.089 1.00 0.00 C ATOM 875 O GLY A 60 6.917 -3.100 6.847 1.00 0.00 O ATOM 0 H GLY A 60 7.041 -5.544 7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.610 -4.350 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.794 -5.423 5.715 1.00 0.00 H new ATOM 879 N PHE A 61 7.945 -3.161 4.846 1.00 0.00 N ATOM 880 CA PHE A 61 7.165 -2.062 4.289 1.00 0.00 C ATOM 881 C PHE A 61 7.121 -2.143 2.766 1.00 0.00 C ATOM 882 O PHE A 61 8.016 -2.711 2.138 1.00 0.00 O ATOM 883 CB PHE A 61 7.754 -0.718 4.723 1.00 0.00 C ATOM 884 CG PHE A 61 7.976 -0.611 6.204 1.00 0.00 C ATOM 885 CD1 PHE A 61 9.127 -1.118 6.785 1.00 0.00 C ATOM 886 CD2 PHE A 61 7.032 -0.003 7.017 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.334 -1.021 8.148 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.234 0.097 8.381 1.00 0.00 C ATOM 889 CZ PHE A 61 8.386 -0.413 8.947 1.00 0.00 C ATOM 0 H PHE A 61 8.633 -3.557 4.206 1.00 0.00 H new ATOM 0 HA PHE A 61 6.147 -2.144 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.703 -0.563 4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.086 0.082 4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.872 -1.595 6.165 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.129 0.397 6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.236 -1.420 8.588 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.491 0.574 9.004 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.545 -0.336 10.012 1.00 0.00 H new ATOM 899 N VAL A 62 6.075 -1.573 2.178 1.00 0.00 N ATOM 900 CA VAL A 62 5.914 -1.580 0.729 1.00 0.00 C ATOM 901 C VAL A 62 5.571 -0.189 0.208 1.00 0.00 C ATOM 902 O VAL A 62 4.452 0.292 0.383 1.00 0.00 O ATOM 903 CB VAL A 62 4.814 -2.565 0.292 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.670 -2.567 -1.223 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.116 -3.964 0.809 1.00 0.00 C ATOM 0 H VAL A 62 5.326 -1.100 2.683 1.00 0.00 H new ATOM 0 HA VAL A 62 6.866 -1.899 0.306 1.00 0.00 H new ATOM 0 HB VAL A 62 3.867 -2.240 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.888 -3.269 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.405 -1.567 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.614 -2.867 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.329 -4.647 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.072 -4.301 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.164 -3.947 1.898 1.00 0.00 H new ATOM 915 N GLU A 63 6.543 0.453 -0.434 1.00 0.00 N ATOM 916 CA GLU A 63 6.343 1.790 -0.981 1.00 0.00 C ATOM 917 C GLU A 63 5.729 1.721 -2.376 1.00 0.00 C ATOM 918 O GLU A 63 6.389 1.325 -3.338 1.00 0.00 O ATOM 919 CB GLU A 63 7.672 2.547 -1.033 1.00 0.00 C ATOM 920 CG GLU A 63 7.564 3.922 -1.671 1.00 0.00 C ATOM 921 CD GLU A 63 8.898 4.437 -2.175 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.565 3.710 -2.941 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.275 5.568 -1.803 1.00 0.00 O ATOM 0 H GLU A 63 7.475 0.069 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 63 5.654 2.324 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.059 2.655 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.397 1.953 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.858 3.879 -2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.159 4.625 -0.944 1.00 0.00 H new ATOM 930 N PHE A 64 4.462 2.108 -2.478 1.00 0.00 N ATOM 931 CA PHE A 64 3.758 2.088 -3.755 1.00 0.00 C ATOM 932 C PHE A 64 4.087 3.332 -4.576 1.00 0.00 C ATOM 933 O PHE A 64 4.683 4.284 -4.071 1.00 0.00 O ATOM 934 CB PHE A 64 2.247 1.999 -3.527 1.00 0.00 C ATOM 935 CG PHE A 64 1.758 0.598 -3.297 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.365 -0.196 -4.363 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.690 0.075 -2.016 1.00 0.00 C ATOM 938 CE1 PHE A 64 0.914 -1.487 -4.155 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.240 -1.214 -1.802 1.00 0.00 C ATOM 940 CZ PHE A 64 0.851 -1.996 -2.872 1.00 0.00 C ATOM 0 H PHE A 64 3.902 2.439 -1.692 1.00 0.00 H new ATOM 0 HA PHE A 64 4.087 1.210 -4.310 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.980 2.614 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.732 2.418 -4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.411 0.198 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.992 0.682 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.612 -2.096 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.193 -1.610 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.498 -3.003 -2.706 1.00 0.00 H new ATOM 950 N LEU A 65 3.694 3.316 -5.845 1.00 0.00 N ATOM 951 CA LEU A 65 3.947 4.441 -6.739 1.00 0.00 C ATOM 952 C LEU A 65 3.092 5.644 -6.354 1.00 0.00 C ATOM 953 O LEU A 65 3.571 6.778 -6.337 1.00 0.00 O ATOM 954 CB LEU A 65 3.663 4.042 -8.188 1.00 0.00 C ATOM 955 CG LEU A 65 4.047 5.067 -9.254 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.547 5.039 -9.505 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.284 4.806 -10.545 1.00 0.00 C ATOM 0 H LEU A 65 3.199 2.536 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 65 4.997 4.719 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.193 3.113 -8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.598 3.830 -8.283 1.00 0.00 H new ATOM 0 HG LEU A 65 3.778 6.059 -8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.802 5.775 -10.267 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.075 5.275 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.840 4.046 -9.847 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.570 5.546 -11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.522 3.808 -10.913 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.213 4.877 -10.355 1.00 0.00 H new ATOM 969 N SER A 66 1.825 5.389 -6.044 1.00 0.00 N ATOM 970 CA SER A 66 0.903 6.451 -5.660 1.00 0.00 C ATOM 971 C SER A 66 0.233 6.134 -4.327 1.00 0.00 C ATOM 972 O SER A 66 -0.095 4.983 -4.044 1.00 0.00 O ATOM 973 CB SER A 66 -0.159 6.649 -6.744 1.00 0.00 C ATOM 974 OG SER A 66 0.436 6.805 -8.020 1.00 0.00 O ATOM 0 H SER A 66 1.414 4.456 -6.051 1.00 0.00 H new ATOM 0 HA SER A 66 1.475 7.372 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.834 5.793 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.762 7.527 -6.511 1.00 0.00 H new ATOM 0 HG SER A 66 -0.264 6.928 -8.695 1.00 0.00 H new ATOM 980 N GLU A 67 0.034 7.165 -3.512 1.00 0.00 N ATOM 981 CA GLU A 67 -0.596 6.997 -2.208 1.00 0.00 C ATOM 982 C GLU A 67 -1.786 6.045 -2.297 1.00 0.00 C ATOM 983 O GLU A 67 -1.853 5.051 -1.575 1.00 0.00 O ATOM 984 CB GLU A 67 -1.052 8.350 -1.658 1.00 0.00 C ATOM 985 CG GLU A 67 -1.340 8.335 -0.166 1.00 0.00 C ATOM 986 CD GLU A 67 -1.580 9.723 0.396 1.00 0.00 C ATOM 987 OE1 GLU A 67 -0.876 10.664 -0.026 1.00 0.00 O ATOM 988 OE2 GLU A 67 -2.471 9.867 1.259 1.00 0.00 O ATOM 0 H GLU A 67 0.300 8.125 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 67 0.142 6.567 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.283 9.094 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.950 8.665 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.215 7.713 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.502 7.875 0.357 1.00 0.00 H new ATOM 995 N GLU A 68 -2.722 6.359 -3.188 1.00 0.00 N ATOM 996 CA GLU A 68 -3.909 5.533 -3.370 1.00 0.00 C ATOM 997 C GLU A 68 -3.543 4.052 -3.397 1.00 0.00 C ATOM 998 O GLU A 68 -4.078 3.255 -2.627 1.00 0.00 O ATOM 999 CB GLU A 68 -4.629 5.915 -4.665 1.00 0.00 C ATOM 1000 CG GLU A 68 -5.070 7.368 -4.711 1.00 0.00 C ATOM 1001 CD GLU A 68 -6.159 7.615 -5.736 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -7.208 6.942 -5.663 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -5.962 8.484 -6.612 1.00 0.00 O ATOM 0 H GLU A 68 -2.681 7.178 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.576 5.709 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.969 5.718 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.503 5.275 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.429 7.666 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.210 7.998 -4.941 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.627 3.691 -4.289 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.188 2.306 -4.417 1.00 0.00 C ATOM 1012 C ASP A 69 -1.965 1.678 -3.045 1.00 0.00 C ATOM 1013 O ASP A 69 -2.317 0.521 -2.817 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.901 2.231 -5.241 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.109 2.663 -6.679 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.005 2.101 -7.344 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.375 3.562 -7.141 1.00 0.00 O ATOM 0 H ASP A 69 -2.174 4.338 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.972 1.748 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.141 2.863 -4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.520 1.210 -5.223 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.377 2.448 -2.135 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.109 1.967 -0.786 1.00 0.00 C ATOM 1024 C ALA A 70 -2.404 1.622 -0.058 1.00 0.00 C ATOM 1025 O ALA A 70 -2.547 0.528 0.488 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.321 3.007 -0.002 1.00 0.00 C ATOM 0 H ALA A 70 -1.077 3.408 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.513 1.057 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.128 2.635 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.626 3.201 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.896 3.931 0.057 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.343 2.561 -0.054 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.627 2.356 0.606 1.00 0.00 C ATOM 1034 C ASP A 71 -5.307 1.091 0.092 1.00 0.00 C ATOM 1035 O ASP A 71 -5.897 0.334 0.863 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.537 3.565 0.386 1.00 0.00 C ATOM 1037 CG ASP A 71 -7.007 3.211 0.492 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -7.503 3.073 1.630 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.661 3.069 -0.562 1.00 0.00 O ATOM 0 H ASP A 71 -3.239 3.472 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.444 2.239 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.298 4.334 1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.339 3.991 -0.598 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.221 0.870 -1.215 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.831 -0.301 -1.833 1.00 0.00 C ATOM 1046 C TYR A 72 -5.222 -1.587 -1.283 1.00 0.00 C ATOM 1047 O TYR A 72 -5.914 -2.589 -1.106 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.657 -0.251 -3.352 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.489 -1.275 -4.091 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -5.993 -2.548 -4.345 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.769 -0.969 -4.536 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -6.749 -3.487 -5.020 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.532 -1.902 -5.210 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.018 -3.160 -5.451 1.00 0.00 C ATOM 1055 OH TYR A 72 -8.775 -4.091 -6.123 1.00 0.00 O ATOM 0 H TYR A 72 -4.735 1.486 -1.867 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.895 -0.293 -1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.922 0.745 -3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.606 -0.406 -3.594 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.000 -2.808 -4.009 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.174 0.015 -4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.349 -4.472 -5.209 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.526 -1.648 -5.547 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.643 -3.701 -6.355 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.921 -1.550 -1.014 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.217 -2.711 -0.482 1.00 0.00 C ATOM 1067 C ALA A 73 -3.525 -2.907 0.999 1.00 0.00 C ATOM 1068 O ALA A 73 -3.510 -4.031 1.501 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.718 -2.563 -0.696 1.00 0.00 C ATOM 0 H ALA A 73 -3.333 -0.729 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.564 -3.594 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.205 -3.437 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.509 -2.478 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.364 -1.668 -0.185 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.803 -1.808 1.692 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.114 -1.861 3.115 1.00 0.00 C ATOM 1077 C ILE A 74 -5.529 -2.379 3.349 1.00 0.00 C ATOM 1078 O ILE A 74 -5.897 -2.730 4.470 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.971 -0.477 3.774 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.562 0.075 3.551 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.283 -0.564 5.261 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.467 1.576 3.718 1.00 0.00 C ATOM 0 H ILE A 74 -3.819 -0.870 1.291 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.399 -2.546 3.569 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.685 0.205 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.878 -0.404 4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.230 -0.192 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.178 0.422 5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.304 -0.919 5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.591 -1.258 5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.440 1.897 3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.125 2.064 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.767 1.849 4.730 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.320 -2.427 2.282 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.695 -2.905 2.368 1.00 0.00 C ATOM 1096 C LYS A 75 -7.773 -4.396 2.055 1.00 0.00 C ATOM 1097 O LYS A 75 -8.607 -5.113 2.609 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.590 -2.123 1.405 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.757 -2.793 0.051 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.198 -1.800 -1.011 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.688 -1.507 -0.916 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.011 -0.125 -1.367 1.00 0.00 N ATOM 0 H LYS A 75 -6.032 -2.140 1.347 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.045 -2.747 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.572 -1.992 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.171 -1.128 1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.815 -3.252 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.492 -3.595 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.636 -0.873 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.966 -2.196 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.239 -2.225 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.019 -1.640 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.035 0.036 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.505 0.562 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.718 -0.006 -2.358 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.898 -4.856 1.167 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.867 -6.262 0.784 1.00 0.00 C ATOM 1118 C ILE A 76 -5.767 -7.011 1.529 1.00 0.00 C ATOM 1119 O ILE A 76 -5.971 -8.133 1.991 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.648 -6.427 -0.732 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.271 -5.894 -1.132 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.745 -5.711 -1.506 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.995 -5.989 -2.616 1.00 0.00 C ATOM 0 H ILE A 76 -6.201 -4.276 0.700 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.836 -6.684 1.052 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.690 -7.488 -0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.189 -4.852 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.504 -6.449 -0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.577 -5.836 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.714 -6.133 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.731 -4.650 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.002 -5.593 -2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.044 -7.032 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.740 -5.410 -3.162 1.00 0.00 H new ATOM 1135 N MET A 77 -4.603 -6.381 1.644 1.00 0.00 N ATOM 1136 CA MET A 77 -3.472 -6.987 2.336 1.00 0.00 C ATOM 1137 C MET A 77 -3.596 -6.803 3.846 1.00 0.00 C ATOM 1138 O MET A 77 -2.595 -6.768 4.561 1.00 0.00 O ATOM 1139 CB MET A 77 -2.158 -6.377 1.844 1.00 0.00 C ATOM 1140 CG MET A 77 -2.097 -6.203 0.335 1.00 0.00 C ATOM 1141 SD MET A 77 -2.283 -7.762 -0.552 1.00 0.00 S ATOM 1142 CE MET A 77 -0.735 -7.825 -1.452 1.00 0.00 C ATOM 0 H MET A 77 -4.418 -5.451 1.267 1.00 0.00 H new ATOM 0 HA MET A 77 -3.474 -8.054 2.116 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.017 -5.406 2.320 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.331 -7.011 2.162 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.882 -5.515 0.021 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.145 -5.747 0.064 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.407 -8.861 -1.540 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.875 -7.403 -2.447 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.021 -7.250 -0.917 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.830 -6.686 4.323 1.00 0.00 N ATOM 1153 CA ASP A 78 -5.086 -6.507 5.747 1.00 0.00 C ATOM 1154 C ASP A 78 -5.405 -7.841 6.415 1.00 0.00 C ATOM 1155 O ASP A 78 -6.232 -8.609 5.924 1.00 0.00 O ATOM 1156 CB ASP A 78 -6.240 -5.527 5.961 1.00 0.00 C ATOM 1157 CG ASP A 78 -7.595 -6.205 5.897 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.811 -7.012 4.969 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -8.438 -5.928 6.776 1.00 0.00 O ATOM 0 H ASP A 78 -5.669 -6.712 3.744 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.184 -6.099 6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.125 -5.041 6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.193 -4.744 5.204 1.00 0.00 H new ATOM 1164 N MET A 79 -4.743 -8.110 7.535 1.00 0.00 N ATOM 1165 CA MET A 79 -4.956 -9.352 8.269 1.00 0.00 C ATOM 1166 C MET A 79 -4.865 -10.557 7.338 1.00 0.00 C ATOM 1167 O MET A 79 -5.635 -11.510 7.464 1.00 0.00 O ATOM 1168 CB MET A 79 -6.320 -9.331 8.963 1.00 0.00 C ATOM 1169 CG MET A 79 -6.356 -8.455 10.205 1.00 0.00 C ATOM 1170 SD MET A 79 -5.525 -9.213 11.614 1.00 0.00 S ATOM 1171 CE MET A 79 -6.927 -9.823 12.547 1.00 0.00 C ATOM 0 H MET A 79 -4.055 -7.485 7.954 1.00 0.00 H new ATOM 0 HA MET A 79 -4.173 -9.438 9.023 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.072 -8.978 8.257 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.594 -10.349 9.238 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.886 -7.497 9.983 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.393 -8.247 10.468 1.00 0.00 H new ATOM 0 HE1 MET A 79 -6.574 -10.319 13.451 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.573 -8.989 12.820 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.488 -10.533 11.939 1.00 0.00 H new ATOM 1181 N ILE A 80 -3.921 -10.507 6.404 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.730 -11.595 5.453 1.00 0.00 C ATOM 1183 C ILE A 80 -3.112 -12.814 6.130 1.00 0.00 C ATOM 1184 O ILE A 80 -2.406 -12.692 7.131 1.00 0.00 O ATOM 1185 CB ILE A 80 -2.833 -11.164 4.278 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.648 -10.378 3.248 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.185 -12.380 3.633 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.019 -10.352 1.873 1.00 0.00 C ATOM 0 H ILE A 80 -3.277 -9.725 6.286 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.716 -11.856 5.069 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.044 -10.516 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.644 -10.815 3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.774 -9.354 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.554 -12.059 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.577 -12.903 4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.960 -13.051 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.650 -9.778 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.034 -9.888 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.918 -11.371 1.500 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.380 -13.991 5.574 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.848 -15.234 6.120 1.00 0.00 C ATOM 1202 C LYS A 81 -1.767 -15.810 5.211 1.00 0.00 C ATOM 1203 O LYS A 81 -2.044 -16.652 4.356 1.00 0.00 O ATOM 1204 CB LYS A 81 -3.972 -16.256 6.305 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.623 -16.204 7.676 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.155 -17.565 8.093 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.957 -17.479 9.382 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.168 -16.626 9.225 1.00 0.00 N ATOM 0 H LYS A 81 -3.963 -14.110 4.745 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.402 -15.014 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.734 -16.087 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.572 -17.257 6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.898 -15.855 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.439 -15.481 7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.783 -17.970 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.323 -18.257 8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.256 -18.481 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.328 -17.075 10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.844 -16.839 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.895 -15.624 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.611 -16.819 8.304 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.535 -15.351 5.401 1.00 0.00 N ATOM 1223 CA LEU A 82 0.589 -15.822 4.598 1.00 0.00 C ATOM 1224 C LEU A 82 1.411 -16.853 5.364 1.00 0.00 C ATOM 1225 O LEU A 82 1.550 -16.769 6.585 1.00 0.00 O ATOM 1226 CB LEU A 82 1.478 -14.646 4.190 1.00 0.00 C ATOM 1227 CG LEU A 82 2.644 -14.977 3.259 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.153 -15.154 1.830 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.708 -13.891 3.329 1.00 0.00 C ATOM 0 H LEU A 82 -0.289 -14.654 6.103 1.00 0.00 H new ATOM 0 HA LEU A 82 0.190 -16.296 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.854 -13.896 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.880 -14.189 5.095 1.00 0.00 H new ATOM 0 HG LEU A 82 3.090 -15.916 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.997 -15.389 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.429 -15.968 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.681 -14.232 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.530 -14.144 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.275 -12.937 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.082 -13.813 4.350 1.00 0.00 H new ATOM 1241 N TYR A 83 1.956 -17.824 4.640 1.00 0.00 N ATOM 1242 CA TYR A 83 2.765 -18.872 5.251 1.00 0.00 C ATOM 1243 C TYR A 83 2.410 -19.044 6.725 1.00 0.00 C ATOM 1244 O TYR A 83 3.276 -18.969 7.596 1.00 0.00 O ATOM 1245 CB TYR A 83 4.252 -18.547 5.107 1.00 0.00 C ATOM 1246 CG TYR A 83 4.623 -17.996 3.749 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.296 -18.681 2.586 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.301 -16.788 3.629 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.633 -18.182 1.343 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.641 -16.281 2.390 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.306 -16.981 1.250 1.00 0.00 C ATOM 1252 OH TYR A 83 5.643 -16.480 0.014 1.00 0.00 O ATOM 0 H TYR A 83 1.852 -17.907 3.629 1.00 0.00 H new ATOM 0 HA TYR A 83 2.553 -19.808 4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.533 -17.823 5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.832 -19.450 5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.769 -19.621 2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.566 -16.237 4.519 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.371 -18.729 0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.167 -15.341 2.314 1.00 0.00 H new ATOM 0 HH TYR A 83 4.983 -16.773 -0.649 1.00 0.00 H new ATOM 1262 N GLY A 84 1.129 -19.275 6.996 1.00 0.00 N ATOM 1263 CA GLY A 84 0.681 -19.455 8.364 1.00 0.00 C ATOM 1264 C GLY A 84 1.108 -18.316 9.268 1.00 0.00 C ATOM 1265 O GLY A 84 1.881 -18.513 10.206 1.00 0.00 O ATOM 0 H GLY A 84 0.394 -19.341 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.406 -19.539 8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.079 -20.392 8.753 1.00 0.00 H new ATOM 1269 N LYS A 85 0.605 -17.119 8.987 1.00 0.00 N ATOM 1270 CA LYS A 85 0.939 -15.942 9.781 1.00 0.00 C ATOM 1271 C LYS A 85 0.064 -14.756 9.389 1.00 0.00 C ATOM 1272 O LYS A 85 0.136 -14.243 8.272 1.00 0.00 O ATOM 1273 CB LYS A 85 2.415 -15.582 9.601 1.00 0.00 C ATOM 1274 CG LYS A 85 3.336 -16.283 10.585 1.00 0.00 C ATOM 1275 CD LYS A 85 4.559 -15.439 10.902 1.00 0.00 C ATOM 1276 CE LYS A 85 4.302 -14.504 12.074 1.00 0.00 C ATOM 1277 NZ LYS A 85 3.406 -13.376 11.697 1.00 0.00 N ATOM 0 H LYS A 85 -0.036 -16.938 8.215 1.00 0.00 H new ATOM 0 HA LYS A 85 0.754 -16.177 10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.721 -15.835 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.533 -14.504 9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.792 -16.497 11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.651 -17.241 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.402 -16.090 11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.838 -14.856 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.854 -15.065 12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.250 -14.109 12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.568 -12.574 12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.609 -13.083 10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.414 -13.682 11.768 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.782 -14.307 10.328 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.685 -13.174 10.104 1.00 0.00 C ATOM 1293 C PRO A 86 -0.938 -11.848 10.004 1.00 0.00 C ATOM 1294 O PRO A 86 -0.814 -11.119 10.988 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.585 -13.188 11.342 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.771 -13.856 12.395 1.00 0.00 C ATOM 1297 CD PRO A 86 -0.921 -14.870 11.681 1.00 0.00 C ATOM 0 HA PRO A 86 -2.228 -13.266 9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.865 -12.177 11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.510 -13.732 11.152 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.152 -13.133 12.927 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.410 -14.335 13.137 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.047 -14.995 12.166 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.397 -15.851 11.661 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.443 -11.543 8.809 1.00 0.00 N ATOM 1306 CA ILE A 87 0.290 -10.303 8.581 1.00 0.00 C ATOM 1307 C ILE A 87 -0.618 -9.089 8.746 1.00 0.00 C ATOM 1308 O ILE A 87 -1.804 -9.139 8.418 1.00 0.00 O ATOM 1309 CB ILE A 87 0.920 -10.273 7.176 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.167 -10.135 6.109 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.748 -11.527 6.939 1.00 0.00 C ATOM 1312 CD1 ILE A 87 0.356 -9.660 4.771 1.00 0.00 C ATOM 0 H ILE A 87 -0.536 -12.136 7.985 1.00 0.00 H new ATOM 0 HA ILE A 87 1.084 -10.263 9.327 1.00 0.00 H new ATOM 0 HB ILE A 87 1.580 -9.408 7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.659 -11.099 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.925 -9.436 6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.186 -11.490 5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.543 -11.584 7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.109 -12.406 7.022 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.470 -9.585 4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.822 -8.682 4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.093 -10.370 4.395 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.052 -7.999 9.253 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.811 -6.771 9.460 1.00 0.00 C ATOM 1326 C ARG A 88 -0.338 -5.673 8.512 1.00 0.00 C ATOM 1327 O ARG A 88 0.854 -5.557 8.224 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.674 -6.301 10.910 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.924 -5.626 11.451 1.00 0.00 C ATOM 1330 CD ARG A 88 -3.070 -6.614 11.603 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.119 -7.194 12.943 1.00 0.00 N ATOM 1332 CZ ARG A 88 -3.740 -6.622 13.968 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -4.362 -5.462 13.807 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -3.741 -7.210 15.157 1.00 0.00 N ATOM 0 H ARG A 88 0.929 -7.941 9.528 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.860 -6.982 9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.432 -7.157 11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.163 -5.607 10.981 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.704 -5.171 12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.223 -4.821 10.780 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.013 -6.110 11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.962 -7.411 10.867 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.651 -8.087 13.100 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.364 -5.007 12.894 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.838 -5.025 14.596 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.264 -8.103 15.285 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.218 -6.769 15.943 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.280 -4.870 8.027 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.960 -3.782 7.112 1.00 0.00 C ATOM 1350 C VAL A 89 -1.725 -2.514 7.477 1.00 0.00 C ATOM 1351 O VAL A 89 -2.947 -2.533 7.617 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.283 -4.161 5.654 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.078 -2.968 4.734 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.431 -5.340 5.210 1.00 0.00 C ATOM 0 H VAL A 89 -2.271 -4.953 8.253 1.00 0.00 H new ATOM 0 HA VAL A 89 0.110 -3.597 7.203 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.331 -4.457 5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.311 -3.255 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.735 -2.154 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.041 -2.638 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.672 -5.595 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.624 -5.074 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.633 -6.197 5.852 1.00 0.00 H new ATOM 1364 N ASN A 90 -0.996 -1.413 7.628 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.606 -0.135 7.976 1.00 0.00 C ATOM 1366 C ASN A 90 -0.736 1.028 7.509 1.00 0.00 C ATOM 1367 O ASN A 90 0.473 0.880 7.327 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.826 -0.047 9.488 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.622 -1.221 10.025 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -2.061 -2.151 10.605 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -3.935 -1.182 9.835 1.00 0.00 N ATOM 0 H ASN A 90 0.017 -1.380 7.515 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.570 -0.070 7.471 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.860 -0.006 9.991 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.348 0.881 9.723 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.522 -1.943 10.175 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.357 -0.391 9.349 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.359 2.186 7.319 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.643 3.377 6.875 1.00 0.00 C ATOM 1380 C LYS A 91 0.647 3.562 7.667 1.00 0.00 C ATOM 1381 O LYS A 91 0.628 3.631 8.896 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.529 4.615 7.026 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.320 4.953 5.774 1.00 0.00 C ATOM 1384 CD LYS A 91 -3.357 3.886 5.464 1.00 0.00 C ATOM 1385 CE LYS A 91 -4.643 4.118 6.242 1.00 0.00 C ATOM 1386 NZ LYS A 91 -5.784 3.352 5.667 1.00 0.00 N ATOM 0 H LYS A 91 -2.359 2.326 7.466 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.388 3.247 5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.222 4.457 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.905 5.468 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.815 5.916 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.639 5.056 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.572 3.885 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.954 2.903 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.496 3.826 7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.882 5.182 6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.642 3.536 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.940 3.649 4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.567 2.335 5.692 1.00 0.00 H new ATOM 1400 N ALA A 92 1.767 3.644 6.956 1.00 0.00 N ATOM 1401 CA ALA A 92 3.065 3.826 7.592 1.00 0.00 C ATOM 1402 C ALA A 92 3.192 5.222 8.193 1.00 0.00 C ATOM 1403 O ALA A 92 3.700 5.387 9.302 1.00 0.00 O ATOM 1404 CB ALA A 92 4.184 3.577 6.591 1.00 0.00 C ATOM 0 H ALA A 92 1.801 3.587 5.938 1.00 0.00 H new ATOM 0 HA ALA A 92 3.149 3.101 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.148 3.717 7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.114 2.557 6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.093 4.279 5.762 1.00 0.00 H new