USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=14 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= -0.629 K(o=-7.2,f=-9.5) USER MOD Set 1.2: A 77 MET CE :methyl 146:sc= -6.62! (180deg=-8.08!) USER MOD Single : A 17 THR OG1 : rot 24:sc= 0.157 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 167:sc=-0.000456 (180deg=-0.0777) USER MOD Single : A 28 SER OG : rot 59:sc= 0.134 USER MOD Single : A 44 ASN : amide:sc= -0.822 X(o=-0.82,f=-0.62) USER MOD Single : A 45 THR OG1 : rot -149:sc= 0.0294 USER MOD Single : A 46 HIS : no HD1:sc= -0.059 X(o=-0.059,f=-0.52) USER MOD Single : A 47 MET CE :methyl 180:sc= -0.0183 (180deg=-0.0183) 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+ -159:sc= -0.0318 (180deg=-0.269) USER MOD Single : A 79 MET CE :methyl -179:sc= -1 (180deg=-1.01) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -144:sc= 0.0392 (180deg=-1.99!) USER MOD Single : A 90 ASN : amide:sc= -2.02 X(o=-2,f=-2.1!) USER MOD Single : A 91 LYS NZ :NH3+ 137:sc= -2.4 (180deg=-4.08!) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.797 4.400 1.466 1.00 0.00 N ATOM 203 CA THR A 17 4.349 3.147 1.965 1.00 0.00 C ATOM 204 C THR A 17 3.401 2.486 2.960 1.00 0.00 C ATOM 205 O THR A 17 2.626 3.161 3.636 1.00 0.00 O ATOM 206 CB THR A 17 5.715 3.364 2.642 1.00 0.00 C ATOM 207 OG1 THR A 17 6.587 4.088 1.766 1.00 0.00 O ATOM 208 CG2 THR A 17 6.353 2.034 3.014 1.00 0.00 C ATOM 0 HA THR A 17 4.479 2.494 1.102 1.00 0.00 H new ATOM 0 HB THR A 17 5.556 3.940 3.554 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.053 4.600 1.123 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.317 2.213 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.701 1.498 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.499 1.436 2.114 1.00 0.00 H new ATOM 216 N VAL A 18 3.469 1.161 3.044 1.00 0.00 N ATOM 217 CA VAL A 18 2.618 0.409 3.958 1.00 0.00 C ATOM 218 C VAL A 18 3.437 -0.219 5.081 1.00 0.00 C ATOM 219 O VAL A 18 4.590 -0.603 4.883 1.00 0.00 O ATOM 220 CB VAL A 18 1.844 -0.700 3.220 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.344 -0.197 1.875 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.717 -1.934 3.047 1.00 0.00 C ATOM 0 H VAL A 18 4.104 0.587 2.490 1.00 0.00 H new ATOM 0 HA VAL A 18 1.907 1.117 4.383 1.00 0.00 H new ATOM 0 HB VAL A 18 0.978 -0.977 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.800 -0.994 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.681 0.655 2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.192 0.109 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.154 -2.707 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.603 -1.675 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.020 -2.305 4.026 1.00 0.00 H new ATOM 232 N TYR A 19 2.833 -0.321 6.260 1.00 0.00 N ATOM 233 CA TYR A 19 3.507 -0.901 7.416 1.00 0.00 C ATOM 234 C TYR A 19 3.126 -2.368 7.589 1.00 0.00 C ATOM 235 O TYR A 19 2.038 -2.686 8.069 1.00 0.00 O ATOM 236 CB TYR A 19 3.156 -0.118 8.682 1.00 0.00 C ATOM 237 CG TYR A 19 3.984 -0.511 9.885 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.926 -1.800 10.401 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.821 0.407 10.507 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.679 -2.163 11.500 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.579 0.051 11.606 1.00 0.00 C ATOM 242 CZ TYR A 19 5.505 -1.235 12.099 1.00 0.00 C ATOM 243 OH TYR A 19 6.257 -1.592 13.194 1.00 0.00 O ATOM 0 H TYR A 19 1.879 -0.010 6.440 1.00 0.00 H new ATOM 0 HA TYR A 19 4.582 -0.842 7.246 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.291 0.946 8.490 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.101 -0.269 8.912 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.281 -2.530 9.935 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.880 1.416 10.125 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.621 -3.169 11.889 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.226 0.776 12.077 1.00 0.00 H new ATOM 0 HH TYR A 19 6.784 -0.822 13.494 1.00 0.00 H new ATOM 253 N VAL A 20 4.031 -3.258 7.195 1.00 0.00 N ATOM 254 CA VAL A 20 3.792 -4.692 7.308 1.00 0.00 C ATOM 255 C VAL A 20 4.361 -5.243 8.611 1.00 0.00 C ATOM 256 O VAL A 20 5.536 -5.048 8.919 1.00 0.00 O ATOM 257 CB VAL A 20 4.412 -5.459 6.125 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.057 -6.936 6.202 1.00 0.00 C ATOM 259 CG2 VAL A 20 3.954 -4.860 4.804 1.00 0.00 C ATOM 0 H VAL A 20 4.936 -3.011 6.795 1.00 0.00 H new ATOM 0 HA VAL A 20 2.711 -4.835 7.298 1.00 0.00 H new ATOM 0 HB VAL A 20 5.497 -5.367 6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.504 -7.462 5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.439 -7.354 7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.974 -7.052 6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.401 -5.414 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.868 -4.920 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.264 -3.816 4.751 1.00 0.00 H new ATOM 269 N GLY A 21 3.518 -5.933 9.374 1.00 0.00 N ATOM 270 CA GLY A 21 3.955 -6.502 10.635 1.00 0.00 C ATOM 271 C GLY A 21 3.515 -7.943 10.804 1.00 0.00 C ATOM 272 O GLY A 21 2.354 -8.276 10.574 1.00 0.00 O ATOM 0 H GLY A 21 2.540 -6.108 9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.042 -6.447 10.698 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.558 -5.905 11.456 1.00 0.00 H new ATOM 276 N GLY A 22 4.448 -8.802 11.206 1.00 0.00 N ATOM 277 CA GLY A 22 4.131 -10.205 11.397 1.00 0.00 C ATOM 278 C GLY A 22 4.368 -11.028 10.146 1.00 0.00 C ATOM 279 O GLY A 22 3.444 -11.648 9.618 1.00 0.00 O ATOM 0 H GLY A 22 5.417 -8.551 11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.737 -10.604 12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.088 -10.301 11.699 1.00 0.00 H new ATOM 283 N LEU A 23 5.608 -11.033 9.670 1.00 0.00 N ATOM 284 CA LEU A 23 5.964 -11.786 8.472 1.00 0.00 C ATOM 285 C LEU A 23 6.729 -13.055 8.833 1.00 0.00 C ATOM 286 O LEU A 23 7.652 -13.025 9.647 1.00 0.00 O ATOM 287 CB LEU A 23 6.805 -10.919 7.533 1.00 0.00 C ATOM 288 CG LEU A 23 6.160 -9.614 7.066 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.213 -8.664 6.516 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.091 -9.891 6.019 1.00 0.00 C ATOM 0 H LEU A 23 6.384 -10.525 10.095 1.00 0.00 H new ATOM 0 HA LEU A 23 5.042 -12.072 7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.742 -10.678 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.058 -11.511 6.653 1.00 0.00 H new ATOM 0 HG LEU A 23 5.685 -9.140 7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.735 -7.741 6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.942 -8.439 7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.718 -9.131 5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.643 -8.950 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.543 -10.389 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.321 -10.533 6.447 1.00 0.00 H new ATOM 302 N ASP A 24 6.340 -14.168 8.220 1.00 0.00 N ATOM 303 CA ASP A 24 6.992 -15.448 8.474 1.00 0.00 C ATOM 304 C ASP A 24 8.392 -15.474 7.870 1.00 0.00 C ATOM 305 O ASP A 24 8.721 -14.662 7.007 1.00 0.00 O ATOM 306 CB ASP A 24 6.154 -16.593 7.902 1.00 0.00 C ATOM 307 CG ASP A 24 6.638 -17.952 8.367 1.00 0.00 C ATOM 308 OD1 ASP A 24 6.760 -18.151 9.594 1.00 0.00 O ATOM 309 OD2 ASP A 24 6.895 -18.817 7.504 1.00 0.00 O ATOM 0 H ASP A 24 5.577 -14.210 7.544 1.00 0.00 H new ATOM 0 HA ASP A 24 7.080 -15.576 9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.113 -16.461 8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.184 -16.553 6.813 1.00 0.00 H new ATOM 314 N GLU A 25 9.213 -16.412 8.333 1.00 0.00 N ATOM 315 CA GLU A 25 10.579 -16.542 7.839 1.00 0.00 C ATOM 316 C GLU A 25 10.604 -16.589 6.314 1.00 0.00 C ATOM 317 O GLU A 25 11.458 -15.974 5.676 1.00 0.00 O ATOM 318 CB GLU A 25 11.234 -17.801 8.409 1.00 0.00 C ATOM 319 CG GLU A 25 10.461 -19.076 8.114 1.00 0.00 C ATOM 320 CD GLU A 25 11.273 -20.327 8.390 1.00 0.00 C ATOM 321 OE1 GLU A 25 11.989 -20.357 9.412 1.00 0.00 O ATOM 322 OE2 GLU A 25 11.190 -21.277 7.583 1.00 0.00 O ATOM 0 H GLU A 25 8.956 -17.092 9.048 1.00 0.00 H new ATOM 0 HA GLU A 25 11.141 -15.668 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.240 -17.894 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.337 -17.690 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.554 -19.095 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.148 -19.073 7.070 1.00 0.00 H new ATOM 329 N LYS A 26 9.660 -17.324 5.735 1.00 0.00 N ATOM 330 CA LYS A 26 9.571 -17.453 4.285 1.00 0.00 C ATOM 331 C LYS A 26 9.552 -16.081 3.618 1.00 0.00 C ATOM 332 O LYS A 26 10.275 -15.839 2.652 1.00 0.00 O ATOM 333 CB LYS A 26 8.316 -18.238 3.898 1.00 0.00 C ATOM 334 CG LYS A 26 8.520 -19.743 3.887 1.00 0.00 C ATOM 335 CD LYS A 26 7.219 -20.480 3.617 1.00 0.00 C ATOM 336 CE LYS A 26 6.986 -20.672 2.126 1.00 0.00 C ATOM 337 NZ LYS A 26 7.870 -21.726 1.557 1.00 0.00 N ATOM 0 H LYS A 26 8.945 -17.840 6.248 1.00 0.00 H new ATOM 0 HA LYS A 26 10.451 -17.994 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.515 -17.993 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.987 -17.917 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.253 -20.006 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.928 -20.063 4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.241 -21.451 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.387 -19.922 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.944 -20.940 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.163 -19.730 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.537 -21.982 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.844 -21.367 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.847 -22.566 2.170 1.00 0.00 H new ATOM 351 N VAL A 27 8.719 -15.186 4.140 1.00 0.00 N ATOM 352 CA VAL A 27 8.607 -13.838 3.596 1.00 0.00 C ATOM 353 C VAL A 27 9.972 -13.296 3.185 1.00 0.00 C ATOM 354 O VAL A 27 10.968 -13.502 3.880 1.00 0.00 O ATOM 355 CB VAL A 27 7.969 -12.873 4.613 1.00 0.00 C ATOM 356 CG1 VAL A 27 7.858 -11.474 4.026 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.605 -13.387 5.050 1.00 0.00 C ATOM 0 H VAL A 27 8.112 -15.370 4.939 1.00 0.00 H new ATOM 0 HA VAL A 27 7.965 -13.904 2.717 1.00 0.00 H new ATOM 0 HB VAL A 27 8.612 -12.821 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.405 -10.807 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.852 -11.108 3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.238 -11.503 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.168 -12.694 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.952 -13.469 4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.717 -14.367 5.514 1.00 0.00 H new ATOM 367 N SER A 28 10.011 -12.601 2.053 1.00 0.00 N ATOM 368 CA SER A 28 11.254 -12.031 1.548 1.00 0.00 C ATOM 369 C SER A 28 11.024 -10.627 0.998 1.00 0.00 C ATOM 370 O SER A 28 9.886 -10.212 0.784 1.00 0.00 O ATOM 371 CB SER A 28 11.844 -12.927 0.457 1.00 0.00 C ATOM 372 OG SER A 28 12.375 -14.120 1.009 1.00 0.00 O ATOM 0 H SER A 28 9.196 -12.419 1.468 1.00 0.00 H new ATOM 0 HA SER A 28 11.959 -11.967 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.073 -13.172 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.628 -12.389 -0.076 1.00 0.00 H new ATOM 0 HG SER A 28 11.668 -14.602 1.487 1.00 0.00 H new ATOM 378 N GLU A 29 12.115 -9.900 0.773 1.00 0.00 N ATOM 379 CA GLU A 29 12.033 -8.542 0.249 1.00 0.00 C ATOM 380 C GLU A 29 11.380 -8.529 -1.130 1.00 0.00 C ATOM 381 O GLU A 29 10.363 -7.873 -1.358 1.00 0.00 O ATOM 382 CB GLU A 29 13.427 -7.916 0.171 1.00 0.00 C ATOM 383 CG GLU A 29 13.799 -7.105 1.400 1.00 0.00 C ATOM 384 CD GLU A 29 15.288 -7.126 1.684 1.00 0.00 C ATOM 385 OE1 GLU A 29 15.863 -8.231 1.758 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.879 -6.035 1.832 1.00 0.00 O ATOM 0 H GLU A 29 13.065 -10.229 0.945 1.00 0.00 H new ATOM 0 HA GLU A 29 11.416 -7.955 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.164 -8.707 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.479 -7.273 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.474 -6.074 1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.262 -7.496 2.265 1.00 0.00 H new ATOM 393 N PRO A 30 11.977 -9.272 -2.074 1.00 0.00 N ATOM 394 CA PRO A 30 11.472 -9.363 -3.447 1.00 0.00 C ATOM 395 C PRO A 30 10.160 -10.135 -3.532 1.00 0.00 C ATOM 396 O PRO A 30 9.627 -10.356 -4.620 1.00 0.00 O ATOM 397 CB PRO A 30 12.583 -10.114 -4.185 1.00 0.00 C ATOM 398 CG PRO A 30 13.272 -10.906 -3.128 1.00 0.00 C ATOM 399 CD PRO A 30 13.192 -10.079 -1.874 1.00 0.00 C ATOM 0 HA PRO A 30 11.252 -8.381 -3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.175 -10.761 -4.962 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.270 -9.424 -4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.790 -11.874 -2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.309 -11.102 -3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.117 -10.704 -0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.075 -9.452 -1.749 1.00 0.00 H new ATOM 407 N LEU A 31 9.643 -10.543 -2.378 1.00 0.00 N ATOM 408 CA LEU A 31 8.392 -11.291 -2.321 1.00 0.00 C ATOM 409 C LEU A 31 7.200 -10.348 -2.191 1.00 0.00 C ATOM 410 O LEU A 31 6.223 -10.459 -2.933 1.00 0.00 O ATOM 411 CB LEU A 31 8.413 -12.270 -1.147 1.00 0.00 C ATOM 412 CG LEU A 31 7.109 -13.022 -0.876 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.846 -14.046 -1.970 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.155 -13.696 0.487 1.00 0.00 C ATOM 0 H LEU A 31 10.071 -10.368 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 31 8.289 -11.851 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.201 -13.002 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.686 -11.720 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 31 6.291 -12.302 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.914 -14.571 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.768 -13.539 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.667 -14.762 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.219 -14.226 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.984 -14.404 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.296 -12.942 1.261 1.00 0.00 H new ATOM 426 N LEU A 32 7.287 -9.420 -1.245 1.00 0.00 N ATOM 427 CA LEU A 32 6.216 -8.455 -1.018 1.00 0.00 C ATOM 428 C LEU A 32 5.943 -7.639 -2.277 1.00 0.00 C ATOM 429 O LEU A 32 4.790 -7.383 -2.625 1.00 0.00 O ATOM 430 CB LEU A 32 6.580 -7.523 0.139 1.00 0.00 C ATOM 431 CG LEU A 32 7.166 -8.193 1.382 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.559 -7.149 2.416 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.174 -9.184 1.972 1.00 0.00 C ATOM 0 H LEU A 32 8.088 -9.315 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 32 5.311 -9.006 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.298 -6.788 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.685 -6.976 0.434 1.00 0.00 H new ATOM 0 HG LEU A 32 8.063 -8.739 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.974 -7.644 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.306 -6.479 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.679 -6.575 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.608 -9.651 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.259 -8.661 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.943 -9.951 1.233 1.00 0.00 H new ATOM 445 N TRP A 33 7.010 -7.235 -2.957 1.00 0.00 N ATOM 446 CA TRP A 33 6.885 -6.449 -4.179 1.00 0.00 C ATOM 447 C TRP A 33 5.808 -7.028 -5.090 1.00 0.00 C ATOM 448 O TRP A 33 4.745 -6.432 -5.264 1.00 0.00 O ATOM 449 CB TRP A 33 8.223 -6.401 -4.918 1.00 0.00 C ATOM 450 CG TRP A 33 8.334 -5.251 -5.873 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.381 -4.821 -6.752 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.462 -4.386 -6.046 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.848 -3.741 -7.460 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.122 -3.454 -7.046 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.724 -4.307 -5.453 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.000 -2.458 -7.463 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.595 -3.318 -5.868 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.230 -2.404 -6.865 1.00 0.00 C ATOM 0 H TRP A 33 7.971 -7.439 -2.683 1.00 0.00 H new ATOM 0 HA TRP A 33 6.595 -5.436 -3.902 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.031 -6.337 -4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.361 -7.333 -5.466 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.404 -5.265 -6.872 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.330 -3.234 -8.178 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.014 -5.007 -4.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.721 -1.752 -8.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.574 -3.248 -5.416 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.933 -1.642 -7.168 1.00 0.00 H new ATOM 469 N GLU A 34 6.090 -8.191 -5.669 1.00 0.00 N ATOM 470 CA GLU A 34 5.143 -8.848 -6.563 1.00 0.00 C ATOM 471 C GLU A 34 3.835 -9.155 -5.839 1.00 0.00 C ATOM 472 O GLU A 34 2.749 -8.925 -6.372 1.00 0.00 O ATOM 473 CB GLU A 34 5.746 -10.139 -7.120 1.00 0.00 C ATOM 474 CG GLU A 34 4.765 -10.969 -7.930 1.00 0.00 C ATOM 475 CD GLU A 34 5.438 -12.103 -8.678 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.659 -12.011 -8.924 1.00 0.00 O ATOM 477 OE2 GLU A 34 4.743 -13.084 -9.017 1.00 0.00 O ATOM 0 H GLU A 34 6.965 -8.697 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 34 4.930 -8.169 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.602 -9.889 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.122 -10.741 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.005 -11.378 -7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.251 -10.324 -8.642 1.00 0.00 H new ATOM 484 N LEU A 35 3.947 -9.677 -4.623 1.00 0.00 N ATOM 485 CA LEU A 35 2.774 -10.017 -3.825 1.00 0.00 C ATOM 486 C LEU A 35 1.878 -8.798 -3.628 1.00 0.00 C ATOM 487 O LEU A 35 0.665 -8.927 -3.460 1.00 0.00 O ATOM 488 CB LEU A 35 3.201 -10.575 -2.466 1.00 0.00 C ATOM 489 CG LEU A 35 2.121 -10.607 -1.384 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.027 -11.596 -1.752 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.729 -10.958 -0.034 1.00 0.00 C ATOM 0 H LEU A 35 4.838 -9.874 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 35 2.208 -10.778 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.571 -11.590 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.038 -9.981 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 35 1.676 -9.615 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.267 -11.605 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.572 -11.300 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.456 -12.593 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.946 -10.976 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.201 -11.939 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.476 -10.211 0.234 1.00 0.00 H new ATOM 503 N PHE A 36 2.483 -7.615 -3.652 1.00 0.00 N ATOM 504 CA PHE A 36 1.740 -6.373 -3.477 1.00 0.00 C ATOM 505 C PHE A 36 1.358 -5.773 -4.827 1.00 0.00 C ATOM 506 O PHE A 36 0.351 -5.074 -4.947 1.00 0.00 O ATOM 507 CB PHE A 36 2.567 -5.367 -2.675 1.00 0.00 C ATOM 508 CG PHE A 36 2.371 -5.478 -1.190 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.800 -6.602 -0.503 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.757 -4.458 -0.481 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.620 -6.707 0.863 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.574 -4.557 0.886 1.00 0.00 C ATOM 513 CZ PHE A 36 2.007 -5.683 1.559 1.00 0.00 C ATOM 0 H PHE A 36 3.486 -7.491 -3.791 1.00 0.00 H new ATOM 0 HA PHE A 36 0.826 -6.600 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.623 -5.511 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.305 -4.358 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.281 -7.405 -1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.417 -3.575 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.958 -7.589 1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.093 -3.755 1.427 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.867 -5.763 2.627 1.00 0.00 H new ATOM 523 N LEU A 37 2.171 -6.049 -5.841 1.00 0.00 N ATOM 524 CA LEU A 37 1.921 -5.537 -7.184 1.00 0.00 C ATOM 525 C LEU A 37 0.432 -5.574 -7.512 1.00 0.00 C ATOM 526 O LEU A 37 -0.079 -4.706 -8.219 1.00 0.00 O ATOM 527 CB LEU A 37 2.703 -6.351 -8.216 1.00 0.00 C ATOM 528 CG LEU A 37 4.179 -5.989 -8.378 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.846 -6.907 -9.391 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.328 -4.533 -8.796 1.00 0.00 C ATOM 0 H LEU A 37 3.009 -6.625 -5.759 1.00 0.00 H new ATOM 0 HA LEU A 37 2.256 -4.500 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.636 -7.405 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.214 -6.239 -9.184 1.00 0.00 H new ATOM 0 HG LEU A 37 4.674 -6.123 -7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.896 -6.634 -9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.771 -7.940 -9.051 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.349 -6.806 -10.356 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.385 -4.293 -8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.818 -4.373 -9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.887 -3.889 -8.035 1.00 0.00 H new ATOM 542 N GLN A 38 -0.259 -6.584 -6.992 1.00 0.00 N ATOM 543 CA GLN A 38 -1.690 -6.732 -7.229 1.00 0.00 C ATOM 544 C GLN A 38 -2.444 -5.475 -6.810 1.00 0.00 C ATOM 545 O GLN A 38 -3.313 -4.991 -7.535 1.00 0.00 O ATOM 546 CB GLN A 38 -2.231 -7.943 -6.467 1.00 0.00 C ATOM 547 CG GLN A 38 -1.600 -8.132 -5.097 1.00 0.00 C ATOM 548 CD GLN A 38 -2.331 -9.158 -4.254 1.00 0.00 C ATOM 549 OE1 GLN A 38 -2.877 -8.836 -3.199 1.00 0.00 O ATOM 550 NE2 GLN A 38 -2.346 -10.403 -4.717 1.00 0.00 N ATOM 0 H GLN A 38 0.149 -7.311 -6.404 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.842 -6.885 -8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.309 -7.836 -6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.063 -8.841 -7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.562 -8.441 -5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.589 -7.177 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.880 -10.626 -5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.823 -11.136 -4.193 1.00 0.00 H new ATOM 559 N ALA A 39 -2.106 -4.951 -5.637 1.00 0.00 N ATOM 560 CA ALA A 39 -2.751 -3.749 -5.123 1.00 0.00 C ATOM 561 C ALA A 39 -2.360 -2.523 -5.942 1.00 0.00 C ATOM 562 O ALA A 39 -3.205 -1.694 -6.277 1.00 0.00 O ATOM 563 CB ALA A 39 -2.393 -3.543 -3.658 1.00 0.00 C ATOM 0 H ALA A 39 -1.389 -5.340 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.830 -3.881 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.882 -2.642 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.728 -4.402 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.313 -3.437 -3.559 1.00 0.00 H new ATOM 569 N GLY A 40 -1.074 -2.416 -6.261 1.00 0.00 N ATOM 570 CA GLY A 40 -0.594 -1.288 -7.038 1.00 0.00 C ATOM 571 C GLY A 40 0.836 -1.472 -7.506 1.00 0.00 C ATOM 572 O GLY A 40 1.496 -2.459 -7.179 1.00 0.00 O ATOM 0 H GLY A 40 -0.356 -3.090 -5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.241 -1.146 -7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.662 -0.381 -6.437 1.00 0.00 H new ATOM 576 N PRO A 41 1.335 -0.506 -8.291 1.00 0.00 N ATOM 577 CA PRO A 41 2.701 -0.544 -8.822 1.00 0.00 C ATOM 578 C PRO A 41 3.751 -0.340 -7.736 1.00 0.00 C ATOM 579 O PRO A 41 4.287 0.757 -7.575 1.00 0.00 O ATOM 580 CB PRO A 41 2.727 0.619 -9.817 1.00 0.00 C ATOM 581 CG PRO A 41 1.678 1.557 -9.330 1.00 0.00 C ATOM 582 CD PRO A 41 0.605 0.699 -8.720 1.00 0.00 C ATOM 0 HA PRO A 41 2.938 -1.510 -9.268 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.706 1.098 -9.841 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.514 0.278 -10.830 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.086 2.252 -8.596 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.280 2.156 -10.149 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.122 1.197 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.177 0.460 -9.441 1.00 0.00 H new ATOM 590 N VAL A 42 4.042 -1.403 -6.992 1.00 0.00 N ATOM 591 CA VAL A 42 5.030 -1.340 -5.922 1.00 0.00 C ATOM 592 C VAL A 42 6.339 -0.736 -6.417 1.00 0.00 C ATOM 593 O VAL A 42 6.941 -1.229 -7.372 1.00 0.00 O ATOM 594 CB VAL A 42 5.311 -2.737 -5.335 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.424 -2.667 -4.301 1.00 0.00 C ATOM 596 CG2 VAL A 42 4.045 -3.324 -4.730 1.00 0.00 C ATOM 0 H VAL A 42 3.607 -2.318 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 42 4.612 -0.703 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 42 5.638 -3.393 -6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.609 -3.662 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.333 -2.291 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.129 -1.997 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.261 -4.311 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.685 -2.671 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.280 -3.411 -5.501 1.00 0.00 H new ATOM 606 N VAL A 43 6.777 0.334 -5.761 1.00 0.00 N ATOM 607 CA VAL A 43 8.016 1.005 -6.133 1.00 0.00 C ATOM 608 C VAL A 43 9.231 0.236 -5.627 1.00 0.00 C ATOM 609 O VAL A 43 10.118 -0.122 -6.400 1.00 0.00 O ATOM 610 CB VAL A 43 8.064 2.442 -5.580 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.158 3.243 -6.269 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.713 3.120 -5.742 1.00 0.00 C ATOM 0 H VAL A 43 6.291 0.755 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 43 8.041 1.042 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 43 8.296 2.396 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.177 4.255 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.122 2.765 -6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.960 3.283 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.765 4.134 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.448 3.156 -6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.955 2.556 -5.197 1.00 0.00 H new ATOM 622 N ASN A 44 9.264 -0.015 -4.322 1.00 0.00 N ATOM 623 CA ASN A 44 10.371 -0.743 -3.712 1.00 0.00 C ATOM 624 C ASN A 44 9.955 -1.341 -2.371 1.00 0.00 C ATOM 625 O ASN A 44 9.014 -0.868 -1.732 1.00 0.00 O ATOM 626 CB ASN A 44 11.572 0.185 -3.518 1.00 0.00 C ATOM 627 CG ASN A 44 12.551 -0.345 -2.488 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.456 -1.114 -2.813 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.374 0.065 -1.237 1.00 0.00 N ATOM 0 H ASN A 44 8.538 0.275 -3.667 1.00 0.00 H new ATOM 0 HA ASN A 44 10.652 -1.556 -4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.086 0.314 -4.471 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.221 1.170 -3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.002 -0.258 -0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.610 0.703 -1.013 1.00 0.00 H new ATOM 636 N THR A 45 10.662 -2.385 -1.950 1.00 0.00 N ATOM 637 CA THR A 45 10.367 -3.049 -0.687 1.00 0.00 C ATOM 638 C THR A 45 11.423 -2.725 0.364 1.00 0.00 C ATOM 639 O THR A 45 12.609 -2.615 0.054 1.00 0.00 O ATOM 640 CB THR A 45 10.284 -4.577 -0.861 1.00 0.00 C ATOM 641 OG1 THR A 45 11.506 -5.073 -1.418 1.00 0.00 O ATOM 642 CG2 THR A 45 9.119 -4.956 -1.762 1.00 0.00 C ATOM 0 H THR A 45 11.444 -2.789 -2.466 1.00 0.00 H new ATOM 0 HA THR A 45 9.399 -2.676 -0.353 1.00 0.00 H new ATOM 0 HB THR A 45 10.124 -5.025 0.120 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.319 -5.864 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.080 -6.040 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.187 -4.602 -1.320 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.253 -4.498 -2.742 1.00 0.00 H new ATOM 650 N HIS A 46 10.985 -2.574 1.610 1.00 0.00 N ATOM 651 CA HIS A 46 11.893 -2.264 2.708 1.00 0.00 C ATOM 652 C HIS A 46 11.693 -3.233 3.869 1.00 0.00 C ATOM 653 O HIS A 46 10.578 -3.404 4.363 1.00 0.00 O ATOM 654 CB HIS A 46 11.679 -0.827 3.185 1.00 0.00 C ATOM 655 CG HIS A 46 12.316 -0.534 4.509 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.601 -0.922 4.828 1.00 0.00 N ATOM 657 CD2 HIS A 46 11.839 0.114 5.597 1.00 0.00 C ATOM 658 CE1 HIS A 46 13.885 -0.526 6.056 1.00 0.00 C ATOM 659 NE2 HIS A 46 12.833 0.106 6.544 1.00 0.00 N ATOM 0 H HIS A 46 10.006 -2.661 1.884 1.00 0.00 H new ATOM 0 HA HIS A 46 12.914 -2.369 2.342 1.00 0.00 H new ATOM 0 HB2 HIS A 46 12.080 -0.142 2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.609 -0.632 3.255 1.00 0.00 H new ATOM 0 HD2 HIS A 46 10.859 0.555 5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.819 -0.691 6.573 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.769 0.521 7.474 1.00 0.00 H new ATOM 667 N MET A 47 12.779 -3.866 4.300 1.00 0.00 N ATOM 668 CA MET A 47 12.722 -4.818 5.404 1.00 0.00 C ATOM 669 C MET A 47 13.956 -4.696 6.292 1.00 0.00 C ATOM 670 O MET A 47 15.057 -5.108 5.925 1.00 0.00 O ATOM 671 CB MET A 47 12.603 -6.246 4.868 1.00 0.00 C ATOM 672 CG MET A 47 11.167 -6.707 4.680 1.00 0.00 C ATOM 673 SD MET A 47 10.441 -7.353 6.198 1.00 0.00 S ATOM 674 CE MET A 47 10.537 -9.116 5.896 1.00 0.00 C ATOM 0 H MET A 47 13.709 -3.737 3.902 1.00 0.00 H new ATOM 0 HA MET A 47 11.841 -4.588 6.004 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.125 -6.312 3.913 1.00 0.00 H new ATOM 0 HB3 MET A 47 13.107 -6.926 5.554 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.565 -5.872 4.321 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.135 -7.478 3.910 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.124 -9.654 6.749 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.967 -9.363 5.001 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.578 -9.405 5.754 1.00 0.00 H new ATOM 684 N PRO A 48 13.771 -4.116 7.487 1.00 0.00 N ATOM 685 CA PRO A 48 14.859 -3.927 8.452 1.00 0.00 C ATOM 686 C PRO A 48 15.335 -5.244 9.054 1.00 0.00 C ATOM 687 O PRO A 48 14.539 -6.020 9.584 1.00 0.00 O ATOM 688 CB PRO A 48 14.227 -3.043 9.530 1.00 0.00 C ATOM 689 CG PRO A 48 12.766 -3.322 9.440 1.00 0.00 C ATOM 690 CD PRO A 48 12.486 -3.601 7.990 1.00 0.00 C ATOM 0 HA PRO A 48 15.744 -3.491 7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.616 -3.285 10.519 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.440 -1.989 9.353 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.493 -4.175 10.061 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.184 -2.471 9.793 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.685 -4.331 7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.179 -2.700 7.459 1.00 0.00 H new ATOM 851 N TYR A 59 8.599 -7.533 10.561 1.00 0.00 N ATOM 852 CA TYR A 59 7.828 -6.437 9.986 1.00 0.00 C ATOM 853 C TYR A 59 8.574 -5.801 8.816 1.00 0.00 C ATOM 854 O TYR A 59 9.788 -5.606 8.872 1.00 0.00 O ATOM 855 CB TYR A 59 7.532 -5.379 11.051 1.00 0.00 C ATOM 856 CG TYR A 59 8.759 -4.628 11.515 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.166 -3.462 10.878 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.512 -5.083 12.591 1.00 0.00 C ATOM 859 CE1 TYR A 59 10.287 -2.772 11.298 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.633 -4.399 13.018 1.00 0.00 C ATOM 861 CZ TYR A 59 11.016 -3.244 12.369 1.00 0.00 C ATOM 862 OH TYR A 59 12.133 -2.560 12.791 1.00 0.00 O ATOM 0 HA TYR A 59 6.887 -6.844 9.616 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.809 -4.667 10.653 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.065 -5.861 11.910 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.596 -3.089 10.040 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.215 -5.987 13.102 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.590 -1.868 10.790 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.207 -4.767 13.856 1.00 0.00 H new ATOM 0 HH TYR A 59 12.531 -3.024 13.557 1.00 0.00 H new ATOM 872 N GLY A 60 7.837 -5.480 7.757 1.00 0.00 N ATOM 873 CA GLY A 60 8.444 -4.870 6.589 1.00 0.00 C ATOM 874 C GLY A 60 7.695 -3.637 6.123 1.00 0.00 C ATOM 875 O GLY A 60 6.959 -3.021 6.894 1.00 0.00 O ATOM 0 H GLY A 60 6.831 -5.632 7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.475 -4.600 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.478 -5.598 5.779 1.00 0.00 H new ATOM 879 N PHE A 61 7.882 -3.276 4.858 1.00 0.00 N ATOM 880 CA PHE A 61 7.220 -2.107 4.291 1.00 0.00 C ATOM 881 C PHE A 61 7.191 -2.184 2.767 1.00 0.00 C ATOM 882 O PHE A 61 8.058 -2.801 2.149 1.00 0.00 O ATOM 883 CB PHE A 61 7.930 -0.827 4.735 1.00 0.00 C ATOM 884 CG PHE A 61 8.015 -0.674 6.227 1.00 0.00 C ATOM 885 CD1 PHE A 61 9.040 -1.273 6.940 1.00 0.00 C ATOM 886 CD2 PHE A 61 7.069 0.067 6.915 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.122 -1.135 8.313 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.145 0.210 8.288 1.00 0.00 C ATOM 889 CZ PHE A 61 8.172 -0.393 8.988 1.00 0.00 C ATOM 0 H PHE A 61 8.486 -3.776 4.206 1.00 0.00 H new ATOM 0 HA PHE A 61 6.193 -2.090 4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.937 -0.817 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.405 0.033 4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.784 -1.855 6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.263 0.539 6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.927 -1.606 8.857 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.402 0.793 8.813 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.232 -0.285 10.061 1.00 0.00 H new ATOM 899 N VAL A 62 6.185 -1.554 2.168 1.00 0.00 N ATOM 900 CA VAL A 62 6.042 -1.550 0.717 1.00 0.00 C ATOM 901 C VAL A 62 5.738 -0.149 0.199 1.00 0.00 C ATOM 902 O VAL A 62 4.621 0.347 0.343 1.00 0.00 O ATOM 903 CB VAL A 62 4.926 -2.508 0.260 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.787 -2.483 -1.254 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.201 -3.920 0.755 1.00 0.00 C ATOM 0 H VAL A 62 5.457 -1.040 2.665 1.00 0.00 H new ATOM 0 HA VAL A 62 6.992 -1.889 0.304 1.00 0.00 H new ATOM 0 HB VAL A 62 3.983 -2.173 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.994 -3.166 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.540 -1.473 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.727 -2.792 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.403 -4.584 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.153 -4.268 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.245 -3.922 1.844 1.00 0.00 H new ATOM 915 N GLU A 63 6.739 0.483 -0.406 1.00 0.00 N ATOM 916 CA GLU A 63 6.577 1.828 -0.946 1.00 0.00 C ATOM 917 C GLU A 63 5.902 1.788 -2.314 1.00 0.00 C ATOM 918 O GLU A 63 6.496 1.348 -3.299 1.00 0.00 O ATOM 919 CB GLU A 63 7.935 2.524 -1.055 1.00 0.00 C ATOM 920 CG GLU A 63 7.867 3.892 -1.714 1.00 0.00 C ATOM 921 CD GLU A 63 9.186 4.306 -2.337 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.872 3.433 -2.909 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.531 5.503 -2.253 1.00 0.00 O ATOM 0 H GLU A 63 7.670 0.086 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 63 5.941 2.392 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.360 2.632 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.614 1.889 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.094 3.883 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.571 4.634 -0.972 1.00 0.00 H new ATOM 930 N PHE A 64 4.657 2.249 -2.366 1.00 0.00 N ATOM 931 CA PHE A 64 3.899 2.265 -3.612 1.00 0.00 C ATOM 932 C PHE A 64 4.182 3.538 -4.404 1.00 0.00 C ATOM 933 O PHE A 64 4.691 4.520 -3.863 1.00 0.00 O ATOM 934 CB PHE A 64 2.401 2.152 -3.324 1.00 0.00 C ATOM 935 CG PHE A 64 1.926 0.736 -3.164 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.544 -0.009 -4.268 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.861 0.150 -1.910 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.107 -1.313 -4.125 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.425 -1.153 -1.761 1.00 0.00 C ATOM 940 CZ PHE A 64 1.046 -1.885 -2.869 1.00 0.00 C ATOM 0 H PHE A 64 4.151 2.617 -1.560 1.00 0.00 H new ATOM 0 HA PHE A 64 4.212 1.409 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.171 2.709 -2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.847 2.623 -4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.588 0.434 -5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.154 0.718 -1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.814 -1.883 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.381 -1.599 -0.778 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.703 -2.902 -2.754 1.00 0.00 H new ATOM 950 N LEU A 65 3.848 3.513 -5.690 1.00 0.00 N ATOM 951 CA LEU A 65 4.066 4.665 -6.559 1.00 0.00 C ATOM 952 C LEU A 65 3.107 5.799 -6.211 1.00 0.00 C ATOM 953 O LEU A 65 3.508 6.960 -6.125 1.00 0.00 O ATOM 954 CB LEU A 65 3.889 4.263 -8.024 1.00 0.00 C ATOM 955 CG LEU A 65 4.290 5.313 -9.061 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.803 5.372 -9.203 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.638 5.014 -10.403 1.00 0.00 C ATOM 0 H LEU A 65 3.426 2.709 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 65 5.086 5.017 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.473 3.361 -8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.843 4.003 -8.185 1.00 0.00 H new ATOM 0 HG LEU A 65 3.939 6.286 -8.718 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.070 6.125 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.249 5.635 -8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.177 4.399 -9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.935 5.771 -11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.958 4.032 -10.752 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.554 5.024 -10.291 1.00 0.00 H new ATOM 969 N SER A 66 1.840 5.454 -6.009 1.00 0.00 N ATOM 970 CA SER A 66 0.823 6.444 -5.671 1.00 0.00 C ATOM 971 C SER A 66 0.155 6.104 -4.342 1.00 0.00 C ATOM 972 O SER A 66 -0.087 4.936 -4.038 1.00 0.00 O ATOM 973 CB SER A 66 -0.229 6.523 -6.779 1.00 0.00 C ATOM 974 OG SER A 66 0.375 6.735 -8.042 1.00 0.00 O ATOM 0 H SER A 66 1.493 4.497 -6.073 1.00 0.00 H new ATOM 0 HA SER A 66 1.312 7.413 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.809 5.600 -6.800 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.926 7.333 -6.565 1.00 0.00 H new ATOM 0 HG SER A 66 -0.319 6.780 -8.733 1.00 0.00 H new ATOM 980 N GLU A 67 -0.141 7.134 -3.555 1.00 0.00 N ATOM 981 CA GLU A 67 -0.780 6.945 -2.258 1.00 0.00 C ATOM 982 C GLU A 67 -1.979 6.007 -2.374 1.00 0.00 C ATOM 983 O GLU A 67 -2.098 5.041 -1.623 1.00 0.00 O ATOM 984 CB GLU A 67 -1.225 8.291 -1.683 1.00 0.00 C ATOM 985 CG GLU A 67 -1.686 8.212 -0.237 1.00 0.00 C ATOM 986 CD GLU A 67 -2.286 9.515 0.255 1.00 0.00 C ATOM 987 OE1 GLU A 67 -1.517 10.467 0.501 1.00 0.00 O ATOM 988 OE2 GLU A 67 -3.525 9.582 0.394 1.00 0.00 O ATOM 0 H GLU A 67 0.051 8.107 -3.793 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.051 6.494 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.399 8.998 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.037 8.687 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.424 7.416 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.840 7.944 0.396 1.00 0.00 H new ATOM 995 N GLU A 68 -2.864 6.302 -3.322 1.00 0.00 N ATOM 996 CA GLU A 68 -4.054 5.487 -3.535 1.00 0.00 C ATOM 997 C GLU A 68 -3.706 4.001 -3.515 1.00 0.00 C ATOM 998 O GLU A 68 -4.391 3.201 -2.878 1.00 0.00 O ATOM 999 CB GLU A 68 -4.715 5.849 -4.866 1.00 0.00 C ATOM 1000 CG GLU A 68 -3.802 5.673 -6.068 1.00 0.00 C ATOM 1001 CD GLU A 68 -4.153 6.607 -7.210 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -3.801 7.802 -7.129 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -4.780 6.141 -8.185 1.00 0.00 O ATOM 0 H GLU A 68 -2.779 7.098 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.753 5.690 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.602 5.231 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.052 6.885 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.770 5.849 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.861 4.642 -6.416 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.638 3.640 -4.218 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.198 2.251 -4.282 1.00 0.00 C ATOM 1012 C ASP A 69 -2.094 1.650 -2.884 1.00 0.00 C ATOM 1013 O ASP A 69 -2.473 0.500 -2.662 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.848 2.154 -4.994 1.00 0.00 C ATOM 1015 CG ASP A 69 -0.898 2.699 -6.407 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -1.863 2.379 -7.132 1.00 0.00 O ATOM 1017 OD2 ASP A 69 0.027 3.446 -6.789 1.00 0.00 O ATOM 0 H ASP A 69 -2.061 4.290 -4.752 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.939 1.686 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.099 2.702 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.529 1.112 -5.021 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.578 2.435 -1.944 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.425 1.980 -0.568 1.00 0.00 C ATOM 1024 C ALA A 70 -2.774 1.619 0.044 1.00 0.00 C ATOM 1025 O ALA A 70 -3.039 0.454 0.343 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.734 3.048 0.267 1.00 0.00 C ATOM 0 H ALA A 70 -1.259 3.389 -2.111 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.807 1.082 -0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.626 2.695 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.251 3.256 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.331 3.960 0.258 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.623 2.624 0.228 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.946 2.411 0.804 1.00 0.00 C ATOM 1034 C ASP A 71 -5.597 1.159 0.224 1.00 0.00 C ATOM 1035 O ASP A 71 -6.189 0.361 0.951 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.837 3.628 0.551 1.00 0.00 C ATOM 1037 CG ASP A 71 -7.114 3.590 1.368 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -7.058 3.155 2.536 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -8.170 3.996 0.837 1.00 0.00 O ATOM 0 H ASP A 71 -3.419 3.594 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.829 2.273 1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.283 4.536 0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.088 3.677 -0.509 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.484 0.994 -1.089 1.00 0.00 N ATOM 1045 CA TYR A 72 -6.064 -0.158 -1.767 1.00 0.00 C ATOM 1046 C TYR A 72 -5.395 -1.452 -1.313 1.00 0.00 C ATOM 1047 O TYR A 72 -6.040 -2.494 -1.209 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.928 -0.006 -3.283 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.779 -0.978 -4.068 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.452 -2.328 -4.127 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.910 -0.548 -4.751 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -7.227 -3.220 -4.844 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.691 -1.433 -5.469 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.345 -2.768 -5.512 1.00 0.00 C ATOM 1055 OH TYR A 72 -9.120 -3.652 -6.227 1.00 0.00 O ATOM 0 H TYR A 72 -4.996 1.644 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.121 -0.206 -1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.201 1.011 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.883 -0.144 -3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.578 -2.686 -3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.183 0.496 -4.720 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.958 -4.265 -4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.567 -1.082 -5.994 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.870 -3.172 -6.637 1.00 0.00 H new ATOM 1065 N ALA A 73 -4.096 -1.375 -1.042 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.338 -2.537 -0.596 1.00 0.00 C ATOM 1067 C ALA A 73 -3.561 -2.801 0.889 1.00 0.00 C ATOM 1068 O ALA A 73 -3.448 -3.937 1.351 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.856 -2.344 -0.883 1.00 0.00 C ATOM 0 H ALA A 73 -3.547 -0.519 -1.124 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.694 -3.406 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.303 -3.220 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.707 -2.213 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.495 -1.461 -0.356 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.877 -1.745 1.632 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.115 -1.864 3.065 1.00 0.00 C ATOM 1077 C ILE A 74 -5.488 -2.467 3.345 1.00 0.00 C ATOM 1078 O ILE A 74 -5.786 -2.861 4.473 1.00 0.00 O ATOM 1079 CB ILE A 74 -4.014 -0.497 3.767 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.673 0.167 3.449 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.188 -0.659 5.270 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.669 1.662 3.677 1.00 0.00 C ATOM 0 H ILE A 74 -3.974 -0.798 1.265 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.343 -2.524 3.460 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.813 0.145 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.897 -0.288 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.415 -0.034 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.114 0.316 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.166 -1.094 5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.409 -1.315 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.686 2.065 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.422 2.129 3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.896 1.871 4.722 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.319 -2.537 2.312 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.660 -3.095 2.444 1.00 0.00 C ATOM 1096 C LYS A 75 -7.663 -4.586 2.125 1.00 0.00 C ATOM 1097 O LYS A 75 -8.484 -5.341 2.647 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.634 -2.362 1.518 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.753 -2.991 0.141 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.269 -1.995 -0.884 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.789 -1.995 -0.945 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.320 -3.252 -1.540 1.00 0.00 N ATOM 0 H LYS A 75 -6.088 -2.214 1.373 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.981 -2.962 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.619 -2.340 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.310 -1.327 1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.779 -3.367 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.425 -3.848 0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.914 -0.996 -0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.864 -2.239 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.193 -1.870 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.129 -1.143 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.285 -3.089 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.710 -3.547 -2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.336 -3.999 -0.816 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.739 -5.004 1.266 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.635 -6.406 0.879 1.00 0.00 C ATOM 1118 C ILE A 76 -5.456 -7.080 1.573 1.00 0.00 C ATOM 1119 O ILE A 76 -5.554 -8.225 2.013 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.476 -6.559 -0.645 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.233 -5.808 -1.128 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.719 -6.053 -1.361 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.916 -6.042 -2.589 1.00 0.00 C ATOM 0 H ILE A 76 -6.052 -4.392 0.825 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.561 -6.890 1.189 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.352 -7.617 -0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.376 -4.740 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.377 -6.113 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.591 -6.168 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.586 -6.628 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.872 -5.000 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.023 -5.479 -2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.741 -7.105 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.755 -5.711 -3.201 1.00 0.00 H new ATOM 1135 N MET A 77 -4.342 -6.362 1.667 1.00 0.00 N ATOM 1136 CA MET A 77 -3.144 -6.890 2.310 1.00 0.00 C ATOM 1137 C MET A 77 -3.231 -6.742 3.826 1.00 0.00 C ATOM 1138 O MET A 77 -2.226 -6.852 4.528 1.00 0.00 O ATOM 1139 CB MET A 77 -1.899 -6.172 1.786 1.00 0.00 C ATOM 1140 CG MET A 77 -1.845 -6.078 0.270 1.00 0.00 C ATOM 1141 SD MET A 77 -2.143 -7.664 -0.535 1.00 0.00 S ATOM 1142 CE MET A 77 -0.650 -7.834 -1.511 1.00 0.00 C ATOM 0 H MET A 77 -4.244 -5.413 1.306 1.00 0.00 H new ATOM 0 HA MET A 77 -3.070 -7.951 2.070 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.866 -5.167 2.206 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.011 -6.695 2.141 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.587 -5.356 -0.072 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.869 -5.699 -0.032 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.371 -8.886 -1.569 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.826 -7.449 -2.515 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.157 -7.270 -1.043 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.437 -6.492 4.324 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.654 -6.330 5.756 1.00 0.00 C ATOM 1154 C ASP A 78 -5.228 -7.605 6.367 1.00 0.00 C ATOM 1155 O ASP A 78 -6.240 -8.127 5.901 1.00 0.00 O ATOM 1156 CB ASP A 78 -5.597 -5.155 6.021 1.00 0.00 C ATOM 1157 CG ASP A 78 -6.287 -5.258 7.367 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -5.656 -5.760 8.320 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -7.459 -4.837 7.467 1.00 0.00 O ATOM 0 H ASP A 78 -5.279 -6.397 3.757 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.690 -6.126 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.033 -4.223 5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.349 -5.112 5.233 1.00 0.00 H new ATOM 1164 N MET A 79 -4.572 -8.102 7.411 1.00 0.00 N ATOM 1165 CA MET A 79 -5.017 -9.316 8.085 1.00 0.00 C ATOM 1166 C MET A 79 -4.929 -10.519 7.152 1.00 0.00 C ATOM 1167 O MET A 79 -5.717 -11.459 7.261 1.00 0.00 O ATOM 1168 CB MET A 79 -6.453 -9.149 8.587 1.00 0.00 C ATOM 1169 CG MET A 79 -6.542 -8.631 10.013 1.00 0.00 C ATOM 1170 SD MET A 79 -8.227 -8.207 10.495 1.00 0.00 S ATOM 1171 CE MET A 79 -8.552 -6.823 9.406 1.00 0.00 C ATOM 0 H MET A 79 -3.731 -7.683 7.808 1.00 0.00 H new ATOM 0 HA MET A 79 -4.360 -9.491 8.937 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.983 -8.463 7.926 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.965 -10.109 8.525 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.153 -9.387 10.695 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.907 -7.751 10.116 1.00 0.00 H new ATOM 0 HE1 MET A 79 -9.553 -6.437 9.597 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.819 -6.037 9.588 1.00 0.00 H new ATOM 0 HE3 MET A 79 -8.481 -7.152 8.369 1.00 0.00 H new ATOM 1181 N ILE A 80 -3.966 -10.483 6.237 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.776 -11.572 5.287 1.00 0.00 C ATOM 1183 C ILE A 80 -3.201 -12.806 5.973 1.00 0.00 C ATOM 1184 O ILE A 80 -2.539 -12.705 7.006 1.00 0.00 O ATOM 1185 CB ILE A 80 -2.841 -11.156 4.135 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.608 -10.334 3.098 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.217 -12.385 3.490 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -2.942 -10.302 1.740 1.00 0.00 C ATOM 0 H ILE A 80 -3.306 -9.712 6.134 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.758 -11.811 4.879 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.041 -10.537 4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.612 -10.744 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.718 -9.313 3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.559 -12.075 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.641 -12.934 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.004 -13.027 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.541 -9.702 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.948 -9.864 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.857 -11.317 1.353 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.457 -13.973 5.391 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.964 -15.229 5.943 1.00 0.00 C ATOM 1202 C LYS A 81 -1.852 -15.806 5.073 1.00 0.00 C ATOM 1203 O LYS A 81 -2.097 -16.657 4.217 1.00 0.00 O ATOM 1204 CB LYS A 81 -4.106 -16.240 6.065 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.829 -16.182 7.400 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.442 -17.525 7.761 1.00 0.00 C ATOM 1207 CE LYS A 81 -6.242 -17.444 9.052 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.212 -18.567 9.175 1.00 0.00 N ATOM 0 H LYS A 81 -4.004 -14.075 4.536 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.559 -15.027 6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.824 -16.063 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.708 -17.244 5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.131 -15.878 8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.611 -15.423 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.090 -17.860 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.653 -18.270 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.561 -17.458 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.778 -16.496 9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.737 -18.476 10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.878 -18.539 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.699 -19.472 9.166 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.629 -15.339 5.298 1.00 0.00 N ATOM 1223 CA LEU A 82 0.522 -15.810 4.535 1.00 0.00 C ATOM 1224 C LEU A 82 1.309 -16.851 5.325 1.00 0.00 C ATOM 1225 O LEU A 82 1.372 -16.797 6.553 1.00 0.00 O ATOM 1226 CB LEU A 82 1.432 -14.636 4.170 1.00 0.00 C ATOM 1227 CG LEU A 82 2.658 -14.975 3.322 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.235 -15.536 1.973 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.537 -13.746 3.139 1.00 0.00 C ATOM 0 H LEU A 82 -0.409 -14.635 6.002 1.00 0.00 H new ATOM 0 HA LEU A 82 0.155 -16.275 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.838 -13.895 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.772 -14.166 5.093 1.00 0.00 H new ATOM 0 HG LEU A 82 3.238 -15.737 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.121 -15.772 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.648 -16.442 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.633 -14.797 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.405 -14.006 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.967 -12.962 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.869 -13.388 4.113 1.00 0.00 H new ATOM 1241 N TYR A 83 1.910 -17.797 4.611 1.00 0.00 N ATOM 1242 CA TYR A 83 2.693 -18.851 5.245 1.00 0.00 C ATOM 1243 C TYR A 83 2.265 -19.051 6.695 1.00 0.00 C ATOM 1244 O TYR A 83 3.084 -18.987 7.611 1.00 0.00 O ATOM 1245 CB TYR A 83 4.184 -18.515 5.183 1.00 0.00 C ATOM 1246 CG TYR A 83 4.660 -18.121 3.803 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.477 -18.968 2.716 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.291 -16.903 3.586 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.911 -18.613 1.454 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.727 -16.539 2.326 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.535 -17.397 1.264 1.00 0.00 C ATOM 1252 OH TYR A 83 5.968 -17.039 0.007 1.00 0.00 O ATOM 0 H TYR A 83 1.870 -17.855 3.593 1.00 0.00 H new ATOM 0 HA TYR A 83 2.513 -19.779 4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.393 -17.700 5.876 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.757 -19.378 5.523 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.987 -19.920 2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.444 -16.229 4.416 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.763 -19.283 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.215 -15.588 2.174 1.00 0.00 H new ATOM 0 HH TYR A 83 5.390 -17.451 -0.668 1.00 0.00 H new ATOM 1262 N GLY A 84 0.973 -19.295 6.896 1.00 0.00 N ATOM 1263 CA GLY A 84 0.456 -19.501 8.236 1.00 0.00 C ATOM 1264 C GLY A 84 0.854 -18.391 9.188 1.00 0.00 C ATOM 1265 O GLY A 84 1.583 -18.621 10.153 1.00 0.00 O ATOM 0 H GLY A 84 0.275 -19.354 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.631 -19.569 8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.821 -20.453 8.620 1.00 0.00 H new ATOM 1269 N LYS A 85 0.375 -17.181 8.917 1.00 0.00 N ATOM 1270 CA LYS A 85 0.685 -16.030 9.755 1.00 0.00 C ATOM 1271 C LYS A 85 -0.167 -14.826 9.363 1.00 0.00 C ATOM 1272 O LYS A 85 -0.023 -14.261 8.278 1.00 0.00 O ATOM 1273 CB LYS A 85 2.169 -15.675 9.644 1.00 0.00 C ATOM 1274 CG LYS A 85 3.044 -16.398 10.653 1.00 0.00 C ATOM 1275 CD LYS A 85 4.253 -15.564 11.042 1.00 0.00 C ATOM 1276 CE LYS A 85 3.967 -14.704 12.264 1.00 0.00 C ATOM 1277 NZ LYS A 85 3.199 -13.478 11.912 1.00 0.00 N ATOM 0 H LYS A 85 -0.230 -16.973 8.123 1.00 0.00 H new ATOM 0 HA LYS A 85 0.458 -16.294 10.788 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.516 -15.912 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.288 -14.600 9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.459 -16.630 11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.376 -17.348 10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.098 -16.221 11.248 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.541 -14.926 10.206 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.406 -15.287 12.995 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.907 -14.420 12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.517 -12.686 12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.357 -13.245 10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.185 -13.646 12.072 1.00 0.00 H new ATOM 1291 N PRO A 86 -1.074 -14.422 10.264 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.964 -13.281 10.035 1.00 0.00 C ATOM 1293 C PRO A 86 -1.217 -11.952 10.046 1.00 0.00 C ATOM 1294 O PRO A 86 -1.197 -11.249 11.057 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.944 -13.354 11.209 1.00 0.00 C ATOM 1296 CG PRO A 86 -2.198 -14.069 12.281 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.300 -15.049 11.578 1.00 0.00 C ATOM 0 HA PRO A 86 -2.444 -13.329 9.058 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.247 -12.359 11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.852 -13.890 10.934 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.617 -13.371 12.884 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.882 -14.582 12.957 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.365 -15.197 12.119 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.771 -16.027 11.481 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.605 -11.613 8.916 1.00 0.00 N ATOM 1306 CA ILE A 87 0.142 -10.366 8.797 1.00 0.00 C ATOM 1307 C ILE A 87 -0.742 -9.164 9.113 1.00 0.00 C ATOM 1308 O ILE A 87 -1.947 -9.304 9.322 1.00 0.00 O ATOM 1309 CB ILE A 87 0.733 -10.198 7.385 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.381 -9.949 6.367 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.544 -11.427 7.001 1.00 0.00 C ATOM 1312 CD1 ILE A 87 0.116 -9.400 5.049 1.00 0.00 C ATOM 0 H ILE A 87 -0.612 -12.184 8.071 1.00 0.00 H new ATOM 0 HA ILE A 87 0.957 -10.415 9.520 1.00 0.00 H new ATOM 0 HB ILE A 87 1.397 -9.334 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.911 -10.884 6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.102 -9.251 6.793 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.955 -11.293 6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.358 -11.563 7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.900 -12.306 7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.728 -9.248 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.621 -8.449 5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.814 -10.107 4.601 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.134 -7.982 9.143 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.865 -6.755 9.432 1.00 0.00 C ATOM 1326 C ARG A 88 -0.340 -5.597 8.588 1.00 0.00 C ATOM 1327 O ARG A 88 0.870 -5.402 8.467 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.755 -6.408 10.918 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.542 -5.170 11.315 1.00 0.00 C ATOM 1330 CD ARG A 88 -3.029 -5.470 11.432 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.706 -4.536 12.328 1.00 0.00 N ATOM 1332 CZ ARG A 88 -5.014 -4.559 12.560 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -5.781 -5.463 11.967 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -5.557 -3.676 13.388 1.00 0.00 N ATOM 0 H ARG A 88 0.862 -7.849 8.971 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.913 -6.919 9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.106 -7.255 11.507 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.295 -6.257 11.170 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.170 -4.791 12.267 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.385 -4.385 10.575 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.487 -5.422 10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.166 -6.488 11.798 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.144 -3.828 12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.367 -6.144 11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.785 -5.478 12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.970 -2.979 13.847 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.561 -3.694 13.566 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.257 -4.832 8.005 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.887 -3.694 7.173 1.00 0.00 C ATOM 1350 C VAL A 89 -1.614 -2.429 7.616 1.00 0.00 C ATOM 1351 O VAL A 89 -2.783 -2.475 7.996 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.199 -3.959 5.688 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -0.971 -2.702 4.862 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.356 -5.112 5.165 1.00 0.00 C ATOM 0 H VAL A 89 -2.262 -4.980 8.094 1.00 0.00 H new ATOM 0 HA VAL A 89 0.187 -3.552 7.291 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.249 -4.237 5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.196 -2.908 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.622 -1.906 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.069 -2.390 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.589 -5.286 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.701 -4.865 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.575 -6.012 5.739 1.00 0.00 H new ATOM 1364 N ASN A 90 -0.914 -1.301 7.563 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.493 -0.022 7.960 1.00 0.00 C ATOM 1366 C ASN A 90 -0.652 1.140 7.442 1.00 0.00 C ATOM 1367 O ASN A 90 0.549 0.997 7.211 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.612 0.058 9.483 1.00 0.00 C ATOM 1369 CG ASN A 90 -0.470 -0.648 10.189 1.00 0.00 C ATOM 1370 OD1 ASN A 90 0.555 -0.040 10.496 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -0.644 -1.939 10.450 1.00 0.00 N ATOM 0 H ASN A 90 0.055 -1.246 7.249 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.488 0.049 7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.634 1.104 9.789 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.558 -0.385 9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.089 -2.467 10.923 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.511 -2.402 10.177 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.290 2.291 7.262 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.601 3.480 6.774 1.00 0.00 C ATOM 1380 C LYS A 91 0.616 3.797 7.637 1.00 0.00 C ATOM 1381 O LYS A 91 0.491 4.044 8.836 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.555 4.677 6.760 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.325 4.826 5.459 1.00 0.00 C ATOM 1384 CD LYS A 91 -1.494 5.525 4.396 1.00 0.00 C ATOM 1385 CE LYS A 91 -2.321 5.838 3.158 1.00 0.00 C ATOM 1386 NZ LYS A 91 -1.482 6.371 2.050 1.00 0.00 N ATOM 0 H LYS A 91 -2.284 2.426 7.447 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.261 3.281 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.263 4.576 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.984 5.588 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.626 3.842 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.239 5.393 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.083 6.449 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.649 4.894 4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.831 4.935 2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.093 6.565 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.769 5.929 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.608 7.401 1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.482 6.156 2.237 1.00 0.00 H new ATOM 1400 N ALA A 92 1.792 3.789 7.018 1.00 0.00 N ATOM 1401 CA ALA A 92 3.031 4.079 7.729 1.00 0.00 C ATOM 1402 C ALA A 92 2.935 5.400 8.484 1.00 0.00 C ATOM 1403 O ALA A 92 3.476 5.540 9.581 1.00 0.00 O ATOM 1404 CB ALA A 92 4.203 4.108 6.758 1.00 0.00 C ATOM 0 H ALA A 92 1.913 3.585 6.026 1.00 0.00 H new ATOM 0 HA ALA A 92 3.196 3.285 8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.122 4.326 7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.293 3.139 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.035 4.880 6.007 1.00 0.00 H new