USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 499 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 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 GLN : amide:sc= -1.22 K(o=0.7,f=-2!) USER MOD Set 2.2: A 66 TYR OH : rot -16:sc= 0.396 USER MOD Set 2.3: A 70 SER OG : rot 72:sc= 1.53 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.528) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= 0 (180deg=-2.11) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-9.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.99! C(o=-3!,f=-2.6!) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= -0.122 (180deg=-0.536) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0484 K(o=-0.048,f=-0.93) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0925) USER MOD Single : A 76 THR OG1 : rot 72:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.738 2.398 4.315 1.00 0.00 N ATOM 192 CA ASP A 16 0.709 2.432 4.134 1.00 0.00 C ATOM 193 C ASP A 16 1.095 1.929 2.746 1.00 0.00 C ATOM 194 O ASP A 16 1.721 2.647 1.966 1.00 0.00 O ATOM 195 CB ASP A 16 1.398 1.587 5.206 1.00 0.00 C ATOM 196 CG ASP A 16 0.815 1.815 6.587 1.00 0.00 C ATOM 197 OD1 ASP A 16 0.823 2.975 7.049 1.00 0.00 O ATOM 198 OD2 ASP A 16 0.352 0.834 7.205 1.00 0.00 O ATOM 0 HA ASP A 16 1.038 3.467 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.308 0.532 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.462 1.822 5.221 1.00 0.00 H new ATOM 203 N PHE A 17 0.718 0.690 2.445 1.00 0.00 N ATOM 204 CA PHE A 17 1.026 0.090 1.153 1.00 0.00 C ATOM 205 C PHE A 17 -0.147 -0.743 0.646 1.00 0.00 C ATOM 206 O PHE A 17 -0.963 -1.227 1.430 1.00 0.00 O ATOM 207 CB PHE A 17 2.279 -0.783 1.257 1.00 0.00 C ATOM 208 CG PHE A 17 2.061 -2.053 2.028 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.259 -3.061 1.516 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.657 -2.240 3.265 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.057 -4.231 2.223 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.458 -3.408 3.976 1.00 0.00 C ATOM 213 CZ PHE A 17 1.658 -4.405 3.454 1.00 0.00 C ATOM 0 H PHE A 17 0.199 0.083 3.079 1.00 0.00 H new ATOM 0 HA PHE A 17 1.211 0.895 0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.624 -1.031 0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.074 -0.209 1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.787 -2.930 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.284 -1.464 3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.430 -5.009 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.928 -3.541 4.939 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.503 -5.319 4.007 1.00 0.00 H new ATOM 223 N ASP A 18 -0.225 -0.904 -0.670 1.00 0.00 N ATOM 224 CA ASP A 18 -1.298 -1.679 -1.283 1.00 0.00 C ATOM 225 C ASP A 18 -0.837 -3.102 -1.585 1.00 0.00 C ATOM 226 O ASP A 18 0.291 -3.336 -2.016 1.00 0.00 O ATOM 227 CB ASP A 18 -1.775 -1.001 -2.569 1.00 0.00 C ATOM 228 CG ASP A 18 -3.233 -1.291 -2.870 1.00 0.00 C ATOM 229 OD1 ASP A 18 -3.516 -2.350 -3.468 1.00 0.00 O ATOM 230 OD2 ASP A 18 -4.090 -0.459 -2.505 1.00 0.00 O ATOM 0 H ASP A 18 0.442 -0.508 -1.333 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.127 -1.727 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.632 0.076 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.161 -1.338 -3.404 1.00 0.00 H new ATOM 235 N PRO A 19 -1.731 -4.075 -1.352 1.00 0.00 N ATOM 236 CA PRO A 19 -1.438 -5.491 -1.591 1.00 0.00 C ATOM 237 C PRO A 19 -1.324 -5.817 -3.076 1.00 0.00 C ATOM 238 O PRO A 19 -0.427 -6.550 -3.494 1.00 0.00 O ATOM 239 CB PRO A 19 -2.642 -6.211 -0.977 1.00 0.00 C ATOM 240 CG PRO A 19 -3.745 -5.211 -1.024 1.00 0.00 C ATOM 241 CD PRO A 19 -3.095 -3.868 -0.838 1.00 0.00 C ATOM 0 HA PRO A 19 -0.481 -5.787 -1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.897 -7.108 -1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.436 -6.525 0.046 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.275 -5.259 -1.975 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.478 -5.402 -0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.619 -3.088 -1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.088 -3.566 0.209 1.00 0.00 H new ATOM 249 N TYR A 20 -2.237 -5.268 -3.869 1.00 0.00 N ATOM 250 CA TYR A 20 -2.240 -5.502 -5.308 1.00 0.00 C ATOM 251 C TYR A 20 -0.986 -4.923 -5.957 1.00 0.00 C ATOM 252 O TYR A 20 -0.365 -5.558 -6.810 1.00 0.00 O ATOM 253 CB TYR A 20 -3.487 -4.886 -5.944 1.00 0.00 C ATOM 254 CG TYR A 20 -4.694 -5.796 -5.914 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.111 -6.390 -4.729 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.417 -6.063 -7.070 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.213 -7.223 -4.696 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.521 -6.893 -7.046 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.915 -7.470 -5.858 1.00 0.00 C ATOM 260 OH TYR A 20 -8.014 -8.299 -5.830 1.00 0.00 O ATOM 0 H TYR A 20 -2.985 -4.658 -3.540 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.250 -6.579 -5.475 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.729 -3.958 -5.425 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.265 -4.624 -6.979 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.564 -6.197 -3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.111 -5.614 -8.003 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.523 -7.678 -3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.073 -7.089 -7.954 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.395 -8.367 -6.730 1.00 0.00 H new ATOM 270 N ARG A 21 -0.619 -3.714 -5.544 1.00 0.00 N ATOM 271 CA ARG A 21 0.560 -3.048 -6.084 1.00 0.00 C ATOM 272 C ARG A 21 1.829 -3.821 -5.736 1.00 0.00 C ATOM 273 O ARG A 21 2.689 -4.039 -6.588 1.00 0.00 O ATOM 274 CB ARG A 21 0.656 -1.619 -5.546 1.00 0.00 C ATOM 275 CG ARG A 21 -0.340 -0.662 -6.180 1.00 0.00 C ATOM 276 CD ARG A 21 0.035 -0.339 -7.618 1.00 0.00 C ATOM 277 NE ARG A 21 1.149 0.602 -7.696 1.00 0.00 N ATOM 278 CZ ARG A 21 1.674 1.027 -8.840 1.00 0.00 C ATOM 279 NH1 ARG A 21 1.187 0.598 -9.996 1.00 0.00 N ATOM 280 NH2 ARG A 21 2.687 1.884 -8.828 1.00 0.00 N ATOM 0 H ARG A 21 -1.121 -3.176 -4.838 1.00 0.00 H new ATOM 0 HA ARG A 21 0.462 -3.014 -7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.497 -1.634 -4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.665 -1.244 -5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.337 -1.102 -6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.382 0.259 -5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.301 -1.259 -8.138 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.830 0.080 -8.133 1.00 0.00 H new ATOM 0 HE ARG A 21 1.546 0.952 -6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.408 -0.060 -10.008 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.592 0.926 -10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.063 2.217 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.090 2.210 -9.707 1.00 0.00 H new ATOM 294 N VAL A 22 1.938 -4.232 -4.476 1.00 0.00 N ATOM 295 CA VAL A 22 3.100 -4.980 -4.014 1.00 0.00 C ATOM 296 C VAL A 22 3.296 -6.251 -4.833 1.00 0.00 C ATOM 297 O VAL A 22 4.317 -6.422 -5.501 1.00 0.00 O ATOM 298 CB VAL A 22 2.971 -5.356 -2.526 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.155 -6.202 -2.084 1.00 0.00 C ATOM 300 CG2 VAL A 22 2.851 -4.104 -1.670 1.00 0.00 C ATOM 0 H VAL A 22 1.235 -4.059 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 22 3.966 -4.331 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 22 2.065 -5.947 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.046 -6.458 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.191 -7.116 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.078 -5.640 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.761 -4.387 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.739 -3.486 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.968 -3.541 -1.971 1.00 0.00 H new ATOM 310 N LEU A 23 2.312 -7.142 -4.777 1.00 0.00 N ATOM 311 CA LEU A 23 2.375 -8.399 -5.514 1.00 0.00 C ATOM 312 C LEU A 23 2.427 -8.147 -7.018 1.00 0.00 C ATOM 313 O LEU A 23 3.198 -8.780 -7.737 1.00 0.00 O ATOM 314 CB LEU A 23 1.167 -9.273 -5.174 1.00 0.00 C ATOM 315 CG LEU A 23 1.137 -9.856 -3.760 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.224 -10.468 -3.464 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.238 -10.891 -3.587 1.00 0.00 C ATOM 0 H LEU A 23 1.461 -7.017 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 23 3.287 -8.919 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.263 -8.682 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.128 -10.097 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 23 1.311 -9.047 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.227 -10.878 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.994 -9.701 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.428 -11.265 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.202 -11.295 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.095 -11.698 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.208 -10.423 -3.756 1.00 0.00 H new ATOM 329 N GLY A 24 1.601 -7.216 -7.485 1.00 0.00 N ATOM 330 CA GLY A 24 1.570 -6.894 -8.900 1.00 0.00 C ATOM 331 C GLY A 24 0.429 -7.579 -9.626 1.00 0.00 C ATOM 332 O GLY A 24 0.618 -8.145 -10.703 1.00 0.00 O ATOM 0 H GLY A 24 0.953 -6.679 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.478 -5.815 -9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.515 -7.187 -9.357 1.00 0.00 H new ATOM 336 N VAL A 25 -0.760 -7.530 -9.034 1.00 0.00 N ATOM 337 CA VAL A 25 -1.937 -8.151 -9.630 1.00 0.00 C ATOM 338 C VAL A 25 -3.031 -7.121 -9.888 1.00 0.00 C ATOM 339 O VAL A 25 -2.933 -5.974 -9.452 1.00 0.00 O ATOM 340 CB VAL A 25 -2.500 -9.267 -8.730 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.766 -10.576 -8.979 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.409 -8.866 -7.265 1.00 0.00 C ATOM 0 H VAL A 25 -0.934 -7.067 -8.142 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.619 -8.585 -10.578 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.551 -9.415 -8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.178 -11.352 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.887 -10.869 -10.022 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.706 -10.446 -8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.811 -9.666 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.366 -8.690 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.984 -7.955 -7.101 1.00 0.00 H new ATOM 352 N SER A 26 -4.073 -7.538 -10.600 1.00 0.00 N ATOM 353 CA SER A 26 -5.185 -6.651 -10.920 1.00 0.00 C ATOM 354 C SER A 26 -6.500 -7.215 -10.391 1.00 0.00 C ATOM 355 O SER A 26 -6.535 -8.305 -9.818 1.00 0.00 O ATOM 356 CB SER A 26 -5.279 -6.441 -12.432 1.00 0.00 C ATOM 357 OG SER A 26 -4.460 -5.362 -12.849 1.00 0.00 O ATOM 0 H SER A 26 -4.170 -8.485 -10.966 1.00 0.00 H new ATOM 0 HA SER A 26 -5.001 -5.691 -10.438 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.976 -7.352 -12.948 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.314 -6.245 -12.711 1.00 0.00 H new ATOM 0 HG SER A 26 -4.536 -5.249 -13.820 1.00 0.00 H new ATOM 363 N ARG A 27 -7.580 -6.466 -10.587 1.00 0.00 N ATOM 364 CA ARG A 27 -8.897 -6.890 -10.129 1.00 0.00 C ATOM 365 C ARG A 27 -9.181 -8.329 -10.546 1.00 0.00 C ATOM 366 O ARG A 27 -9.422 -9.196 -9.705 1.00 0.00 O ATOM 367 CB ARG A 27 -9.978 -5.963 -10.689 1.00 0.00 C ATOM 368 CG ARG A 27 -9.736 -4.493 -10.386 1.00 0.00 C ATOM 369 CD ARG A 27 -10.384 -4.081 -9.073 1.00 0.00 C ATOM 370 NE ARG A 27 -10.519 -2.631 -8.961 1.00 0.00 N ATOM 371 CZ ARG A 27 -11.422 -2.035 -8.190 1.00 0.00 C ATOM 372 NH1 ARG A 27 -12.264 -2.760 -7.467 1.00 0.00 N ATOM 373 NH2 ARG A 27 -11.483 -0.710 -8.141 1.00 0.00 N ATOM 0 H ARG A 27 -7.569 -5.562 -11.060 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.910 -6.836 -9.040 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.037 -6.098 -11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.944 -6.256 -10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.664 -4.302 -10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.134 -3.883 -11.197 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.368 -4.544 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.787 -4.455 -8.241 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.886 -2.044 -9.504 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.220 -3.778 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.956 -2.299 -6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.836 -0.149 -8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.176 -0.253 -7.549 1.00 0.00 H new ATOM 387 N THR A 28 -9.150 -8.579 -11.852 1.00 0.00 N ATOM 388 CA THR A 28 -9.406 -9.912 -12.382 1.00 0.00 C ATOM 389 C THR A 28 -8.622 -10.969 -11.612 1.00 0.00 C ATOM 390 O THR A 28 -9.002 -12.139 -11.584 1.00 0.00 O ATOM 391 CB THR A 28 -9.038 -10.003 -13.875 1.00 0.00 C ATOM 392 OG1 THR A 28 -9.302 -11.323 -14.365 1.00 0.00 O ATOM 393 CG2 THR A 28 -7.572 -9.660 -14.093 1.00 0.00 C ATOM 0 H THR A 28 -8.950 -7.875 -12.562 1.00 0.00 H new ATOM 0 HA THR A 28 -10.474 -10.099 -12.266 1.00 0.00 H new ATOM 0 HB THR A 28 -9.648 -9.284 -14.421 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.067 -11.372 -15.315 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.336 -9.731 -15.155 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.380 -8.645 -13.746 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.948 -10.358 -13.535 1.00 0.00 H new ATOM 401 N ALA A 29 -7.527 -10.549 -10.987 1.00 0.00 N ATOM 402 CA ALA A 29 -6.691 -11.459 -10.214 1.00 0.00 C ATOM 403 C ALA A 29 -7.393 -11.893 -8.932 1.00 0.00 C ATOM 404 O ALA A 29 -7.727 -11.065 -8.085 1.00 0.00 O ATOM 405 CB ALA A 29 -5.356 -10.805 -9.892 1.00 0.00 C ATOM 0 H ALA A 29 -7.198 -9.584 -11.001 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.510 -12.349 -10.818 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.742 -11.496 -9.314 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.842 -10.551 -10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.526 -9.898 -9.311 1.00 0.00 H new ATOM 411 N SER A 30 -7.614 -13.197 -8.796 1.00 0.00 N ATOM 412 CA SER A 30 -8.280 -13.741 -7.619 1.00 0.00 C ATOM 413 C SER A 30 -7.314 -14.576 -6.784 1.00 0.00 C ATOM 414 O SER A 30 -6.174 -14.811 -7.186 1.00 0.00 O ATOM 415 CB SER A 30 -9.481 -14.593 -8.034 1.00 0.00 C ATOM 416 OG SER A 30 -10.647 -13.800 -8.171 1.00 0.00 O ATOM 0 H SER A 30 -7.341 -13.896 -9.487 1.00 0.00 H new ATOM 0 HA SER A 30 -8.629 -12.906 -7.012 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.266 -15.095 -8.977 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.652 -15.372 -7.291 1.00 0.00 H new ATOM 0 HG SER A 30 -11.399 -14.368 -8.438 1.00 0.00 H new ATOM 422 N GLN A 31 -7.778 -15.021 -5.621 1.00 0.00 N ATOM 423 CA GLN A 31 -6.955 -15.830 -4.730 1.00 0.00 C ATOM 424 C GLN A 31 -6.022 -16.738 -5.524 1.00 0.00 C ATOM 425 O GLN A 31 -4.855 -16.906 -5.171 1.00 0.00 O ATOM 426 CB GLN A 31 -7.839 -16.670 -3.806 1.00 0.00 C ATOM 427 CG GLN A 31 -7.104 -17.220 -2.595 1.00 0.00 C ATOM 428 CD GLN A 31 -6.152 -16.212 -1.982 1.00 0.00 C ATOM 429 OE1 GLN A 31 -4.969 -16.495 -1.790 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.664 -15.026 -1.672 1.00 0.00 N ATOM 0 H GLN A 31 -8.719 -14.835 -5.274 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.348 -15.155 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.677 -16.061 -3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.258 -17.500 -4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.831 -17.531 -1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.546 -18.110 -2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.650 -14.834 -1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.071 -14.307 -1.258 1.00 0.00 H new ATOM 439 N ALA A 32 -6.545 -17.321 -6.598 1.00 0.00 N ATOM 440 CA ALA A 32 -5.758 -18.210 -7.443 1.00 0.00 C ATOM 441 C ALA A 32 -4.537 -17.493 -8.010 1.00 0.00 C ATOM 442 O ALA A 32 -3.399 -17.846 -7.701 1.00 0.00 O ATOM 443 CB ALA A 32 -6.617 -18.764 -8.571 1.00 0.00 C ATOM 0 H ALA A 32 -7.510 -17.193 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.407 -19.038 -6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.016 -19.426 -9.194 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.454 -19.322 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.997 -17.941 -9.177 1.00 0.00 H new ATOM 449 N ASP A 33 -4.782 -16.485 -8.840 1.00 0.00 N ATOM 450 CA ASP A 33 -3.702 -15.717 -9.449 1.00 0.00 C ATOM 451 C ASP A 33 -2.794 -15.115 -8.381 1.00 0.00 C ATOM 452 O ASP A 33 -1.570 -15.116 -8.521 1.00 0.00 O ATOM 453 CB ASP A 33 -4.273 -14.608 -10.335 1.00 0.00 C ATOM 454 CG ASP A 33 -3.324 -14.210 -11.448 1.00 0.00 C ATOM 455 OD1 ASP A 33 -2.098 -14.363 -11.265 1.00 0.00 O ATOM 456 OD2 ASP A 33 -3.807 -13.746 -12.502 1.00 0.00 O ATOM 0 H ASP A 33 -5.718 -16.181 -9.106 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.110 -16.394 -10.064 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.216 -14.942 -10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.495 -13.735 -9.721 1.00 0.00 H new ATOM 461 N ILE A 34 -3.401 -14.601 -7.317 1.00 0.00 N ATOM 462 CA ILE A 34 -2.646 -13.996 -6.226 1.00 0.00 C ATOM 463 C ILE A 34 -1.589 -14.955 -5.690 1.00 0.00 C ATOM 464 O ILE A 34 -0.390 -14.711 -5.819 1.00 0.00 O ATOM 465 CB ILE A 34 -3.571 -13.570 -5.070 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.668 -12.636 -5.583 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.766 -12.896 -3.969 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.864 -12.545 -4.662 1.00 0.00 C ATOM 0 H ILE A 34 -4.413 -14.591 -7.187 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.156 -13.112 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.043 -14.460 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.250 -11.639 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.999 -12.981 -6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.433 -12.601 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.018 -13.591 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.269 -12.013 -4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.601 -11.865 -5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.308 -13.534 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.546 -12.170 -3.689 1.00 0.00 H new ATOM 480 N LYS A 35 -2.043 -16.050 -5.089 1.00 0.00 N ATOM 481 CA LYS A 35 -1.138 -17.050 -4.535 1.00 0.00 C ATOM 482 C LYS A 35 0.003 -17.347 -5.503 1.00 0.00 C ATOM 483 O LYS A 35 1.177 -17.273 -5.138 1.00 0.00 O ATOM 484 CB LYS A 35 -1.900 -18.339 -4.219 1.00 0.00 C ATOM 485 CG LYS A 35 -1.049 -19.398 -3.541 1.00 0.00 C ATOM 486 CD LYS A 35 -1.581 -20.796 -3.808 1.00 0.00 C ATOM 487 CE LYS A 35 -1.009 -21.808 -2.827 1.00 0.00 C ATOM 488 NZ LYS A 35 0.316 -22.323 -3.270 1.00 0.00 N ATOM 0 H LYS A 35 -3.033 -16.267 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.715 -16.650 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.749 -18.101 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.305 -18.748 -5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.022 -19.324 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.027 -19.215 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.669 -20.792 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.330 -21.093 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.909 -21.345 -1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.704 -22.641 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.807 -22.758 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.180 -23.034 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.888 -21.537 -3.640 1.00 0.00 H new ATOM 502 N LYS A 36 -0.348 -17.680 -6.741 1.00 0.00 N ATOM 503 CA LYS A 36 0.646 -17.985 -7.763 1.00 0.00 C ATOM 504 C LYS A 36 1.594 -16.808 -7.969 1.00 0.00 C ATOM 505 O LYS A 36 2.791 -16.993 -8.184 1.00 0.00 O ATOM 506 CB LYS A 36 -0.043 -18.337 -9.084 1.00 0.00 C ATOM 507 CG LYS A 36 -0.716 -19.698 -9.076 1.00 0.00 C ATOM 508 CD LYS A 36 -1.480 -19.950 -10.365 1.00 0.00 C ATOM 509 CE LYS A 36 -1.887 -21.410 -10.495 1.00 0.00 C ATOM 510 NZ LYS A 36 -2.501 -21.698 -11.821 1.00 0.00 N ATOM 0 H LYS A 36 -1.314 -17.745 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 36 1.228 -18.842 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.788 -17.574 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.694 -18.310 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.035 -20.476 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.399 -19.762 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.369 -19.320 -10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.862 -19.666 -11.217 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.012 -22.045 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.594 -21.662 -9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.765 -22.703 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.350 -21.111 -11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.817 -21.482 -12.574 1.00 0.00 H new ATOM 524 N ALA A 37 1.050 -15.597 -7.899 1.00 0.00 N ATOM 525 CA ALA A 37 1.848 -14.390 -8.075 1.00 0.00 C ATOM 526 C ALA A 37 2.834 -14.213 -6.925 1.00 0.00 C ATOM 527 O ALA A 37 4.000 -13.880 -7.141 1.00 0.00 O ATOM 528 CB ALA A 37 0.944 -13.172 -8.190 1.00 0.00 C ATOM 0 H ALA A 37 0.060 -15.426 -7.722 1.00 0.00 H new ATOM 0 HA ALA A 37 2.420 -14.492 -8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.553 -12.278 -8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.283 -13.289 -9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.347 -13.075 -7.283 1.00 0.00 H new ATOM 534 N TYR A 38 2.360 -14.436 -5.705 1.00 0.00 N ATOM 535 CA TYR A 38 3.199 -14.298 -4.521 1.00 0.00 C ATOM 536 C TYR A 38 4.427 -15.200 -4.615 1.00 0.00 C ATOM 537 O TYR A 38 5.563 -14.726 -4.600 1.00 0.00 O ATOM 538 CB TYR A 38 2.400 -14.635 -3.261 1.00 0.00 C ATOM 539 CG TYR A 38 3.266 -14.953 -2.063 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.821 -13.939 -1.293 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.527 -16.269 -1.700 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.613 -14.226 -0.197 1.00 0.00 C ATOM 543 CE2 TYR A 38 4.316 -16.565 -0.605 1.00 0.00 C ATOM 544 CZ TYR A 38 4.857 -15.540 0.142 1.00 0.00 C ATOM 545 OH TYR A 38 5.644 -15.829 1.234 1.00 0.00 O ATOM 0 H TYR A 38 1.398 -14.713 -5.510 1.00 0.00 H new ATOM 0 HA TYR A 38 3.535 -13.263 -4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.751 -13.794 -3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.753 -15.488 -3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.631 -12.909 -1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.106 -17.074 -2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.038 -13.426 0.390 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.508 -17.593 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 38 5.716 -16.801 1.337 1.00 0.00 H new ATOM 555 N LYS A 39 4.189 -16.503 -4.713 1.00 0.00 N ATOM 556 CA LYS A 39 5.272 -17.474 -4.811 1.00 0.00 C ATOM 557 C LYS A 39 6.385 -16.957 -5.717 1.00 0.00 C ATOM 558 O LYS A 39 7.554 -16.938 -5.333 1.00 0.00 O ATOM 559 CB LYS A 39 4.743 -18.807 -5.346 1.00 0.00 C ATOM 560 CG LYS A 39 4.316 -19.773 -4.254 1.00 0.00 C ATOM 561 CD LYS A 39 2.925 -19.450 -3.736 1.00 0.00 C ATOM 562 CE LYS A 39 2.736 -19.935 -2.307 1.00 0.00 C ATOM 563 NZ LYS A 39 1.646 -19.197 -1.611 1.00 0.00 N ATOM 0 H LYS A 39 3.254 -16.912 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 39 5.681 -17.627 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.894 -18.615 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.516 -19.277 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.333 -20.792 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.030 -19.732 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.760 -18.374 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.179 -19.914 -4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.507 -21.001 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.668 -19.812 -1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.973 -18.901 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.385 -18.357 -2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.817 -19.816 -1.510 1.00 0.00 H new ATOM 577 N LYS A 40 6.014 -16.537 -6.922 1.00 0.00 N ATOM 578 CA LYS A 40 6.980 -16.016 -7.883 1.00 0.00 C ATOM 579 C LYS A 40 7.852 -14.939 -7.247 1.00 0.00 C ATOM 580 O LYS A 40 9.079 -15.048 -7.231 1.00 0.00 O ATOM 581 CB LYS A 40 6.257 -15.447 -9.106 1.00 0.00 C ATOM 582 CG LYS A 40 7.196 -15.002 -10.214 1.00 0.00 C ATOM 583 CD LYS A 40 6.435 -14.382 -11.374 1.00 0.00 C ATOM 584 CE LYS A 40 5.713 -15.440 -12.195 1.00 0.00 C ATOM 585 NZ LYS A 40 5.460 -14.982 -13.589 1.00 0.00 N ATOM 0 H LYS A 40 5.051 -16.547 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 40 7.622 -16.838 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.576 -16.202 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.647 -14.599 -8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.910 -14.280 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.771 -15.857 -10.570 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.713 -13.660 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.127 -13.833 -12.013 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.308 -16.353 -12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.766 -15.687 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.967 -15.730 -14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.871 -14.125 -13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.366 -14.770 -14.055 1.00 0.00 H new ATOM 599 N LEU A 41 7.213 -13.899 -6.724 1.00 0.00 N ATOM 600 CA LEU A 41 7.931 -12.801 -6.085 1.00 0.00 C ATOM 601 C LEU A 41 8.814 -13.314 -4.952 1.00 0.00 C ATOM 602 O LEU A 41 10.032 -13.142 -4.975 1.00 0.00 O ATOM 603 CB LEU A 41 6.943 -11.764 -5.547 1.00 0.00 C ATOM 604 CG LEU A 41 6.537 -10.656 -6.520 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.148 -10.136 -6.186 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.553 -9.524 -6.493 1.00 0.00 C ATOM 0 H LEU A 41 6.199 -13.792 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 41 8.569 -12.332 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.041 -12.284 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.379 -11.301 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 41 6.514 -11.073 -7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.876 -9.348 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.428 -10.951 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.143 -9.736 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.248 -8.745 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.608 -9.108 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.532 -9.907 -6.782 1.00 0.00 H new ATOM 618 N ALA A 42 8.191 -13.948 -3.964 1.00 0.00 N ATOM 619 CA ALA A 42 8.921 -14.490 -2.824 1.00 0.00 C ATOM 620 C ALA A 42 10.116 -15.319 -3.282 1.00 0.00 C ATOM 621 O ALA A 42 11.189 -15.262 -2.682 1.00 0.00 O ATOM 622 CB ALA A 42 7.996 -15.329 -1.956 1.00 0.00 C ATOM 0 H ALA A 42 7.183 -14.099 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 42 9.296 -13.654 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.554 -15.727 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.177 -14.709 -1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.593 -16.153 -2.545 1.00 0.00 H new ATOM 628 N ARG A 43 9.923 -16.088 -4.348 1.00 0.00 N ATOM 629 CA ARG A 43 10.985 -16.931 -4.885 1.00 0.00 C ATOM 630 C ARG A 43 12.138 -16.081 -5.414 1.00 0.00 C ATOM 631 O ARG A 43 13.305 -16.383 -5.171 1.00 0.00 O ATOM 632 CB ARG A 43 10.442 -17.824 -6.001 1.00 0.00 C ATOM 633 CG ARG A 43 9.712 -19.057 -5.494 1.00 0.00 C ATOM 634 CD ARG A 43 9.459 -20.055 -6.613 1.00 0.00 C ATOM 635 NE ARG A 43 8.487 -21.074 -6.228 1.00 0.00 N ATOM 636 CZ ARG A 43 7.907 -21.900 -7.092 1.00 0.00 C ATOM 637 NH1 ARG A 43 8.200 -21.827 -8.383 1.00 0.00 N ATOM 638 NH2 ARG A 43 7.031 -22.801 -6.665 1.00 0.00 N ATOM 0 H ARG A 43 9.041 -16.145 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 43 11.360 -17.559 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.763 -17.241 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.269 -18.138 -6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.300 -19.531 -4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.763 -18.761 -5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.099 -19.526 -7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.398 -20.535 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 43 8.240 -21.156 -5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.872 -21.135 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.753 -22.462 -9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.802 -22.860 -5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.586 -23.435 -7.329 1.00 0.00 H new ATOM 652 N GLU A 44 11.799 -15.020 -6.139 1.00 0.00 N ATOM 653 CA GLU A 44 12.806 -14.129 -6.703 1.00 0.00 C ATOM 654 C GLU A 44 13.496 -13.323 -5.606 1.00 0.00 C ATOM 655 O GLU A 44 14.716 -13.377 -5.455 1.00 0.00 O ATOM 656 CB GLU A 44 12.168 -13.182 -7.722 1.00 0.00 C ATOM 657 CG GLU A 44 12.063 -13.772 -9.118 1.00 0.00 C ATOM 658 CD GLU A 44 11.497 -12.789 -10.125 1.00 0.00 C ATOM 659 OE1 GLU A 44 10.257 -12.730 -10.263 1.00 0.00 O ATOM 660 OE2 GLU A 44 12.293 -12.080 -10.776 1.00 0.00 O ATOM 0 H GLU A 44 10.836 -14.757 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 44 13.555 -14.741 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.171 -12.908 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.753 -12.263 -7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.051 -14.096 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.431 -14.659 -9.087 1.00 0.00 H new ATOM 667 N TRP A 45 12.705 -12.576 -4.844 1.00 0.00 N ATOM 668 CA TRP A 45 13.239 -11.758 -3.761 1.00 0.00 C ATOM 669 C TRP A 45 13.527 -12.608 -2.528 1.00 0.00 C ATOM 670 O TRP A 45 13.780 -12.081 -1.444 1.00 0.00 O ATOM 671 CB TRP A 45 12.257 -10.640 -3.407 1.00 0.00 C ATOM 672 CG TRP A 45 11.923 -9.754 -4.568 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.950 -9.961 -5.504 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.562 -8.521 -4.918 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.946 -8.932 -6.414 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.925 -8.035 -6.077 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.609 -7.780 -4.364 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.302 -6.844 -6.689 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.983 -6.597 -4.974 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.331 -6.138 -6.126 1.00 0.00 C ATOM 0 H TRP A 45 11.693 -12.520 -4.956 1.00 0.00 H new ATOM 0 HA TRP A 45 14.175 -11.315 -4.101 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.339 -11.082 -3.020 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.681 -10.034 -2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.282 -10.809 -5.525 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.316 -8.849 -7.212 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.117 -8.125 -3.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.801 -6.489 -7.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.792 -6.017 -4.555 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.646 -5.209 -6.579 1.00 0.00 H new ATOM 691 N HIS A 46 13.486 -13.925 -2.699 1.00 0.00 N ATOM 692 CA HIS A 46 13.744 -14.848 -1.600 1.00 0.00 C ATOM 693 C HIS A 46 15.060 -14.512 -0.906 1.00 0.00 C ATOM 694 O HIS A 46 16.139 -14.593 -1.494 1.00 0.00 O ATOM 695 CB HIS A 46 13.776 -16.288 -2.111 1.00 0.00 C ATOM 696 CG HIS A 46 13.414 -17.302 -1.070 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.462 -17.042 0.283 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.994 -18.583 -1.191 1.00 0.00 C ATOM 699 CE1 HIS A 46 13.089 -18.119 0.950 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.799 -19.069 0.079 1.00 0.00 N ATOM 0 H HIS A 46 13.276 -14.377 -3.589 1.00 0.00 H new ATOM 0 HA HIS A 46 12.936 -14.746 -0.876 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.089 -16.382 -2.952 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.774 -16.508 -2.489 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.841 -19.122 -2.114 1.00 0.00 H new ATOM 0 HE1 HIS A 46 13.031 -18.208 2.025 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.482 -20.010 0.312 1.00 0.00 H new ATOM 708 N PRO A 47 14.973 -14.125 0.375 1.00 0.00 N ATOM 709 CA PRO A 47 16.148 -13.769 1.177 1.00 0.00 C ATOM 710 C PRO A 47 17.017 -14.979 1.500 1.00 0.00 C ATOM 711 O PRO A 47 18.170 -14.835 1.908 1.00 0.00 O ATOM 712 CB PRO A 47 15.541 -13.189 2.457 1.00 0.00 C ATOM 713 CG PRO A 47 14.193 -13.816 2.555 1.00 0.00 C ATOM 714 CD PRO A 47 13.720 -14.005 1.141 1.00 0.00 C ATOM 0 HA PRO A 47 16.807 -13.078 0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.152 -13.426 3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.469 -12.103 2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.244 -14.770 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.507 -13.180 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.101 -14.896 1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.121 -13.160 0.801 1.00 0.00 H new ATOM 722 N ASP A 48 16.459 -16.169 1.314 1.00 0.00 N ATOM 723 CA ASP A 48 17.184 -17.405 1.585 1.00 0.00 C ATOM 724 C ASP A 48 18.288 -17.624 0.555 1.00 0.00 C ATOM 725 O ASP A 48 19.379 -18.088 0.886 1.00 0.00 O ATOM 726 CB ASP A 48 16.225 -18.596 1.583 1.00 0.00 C ATOM 727 CG ASP A 48 15.617 -18.852 2.948 1.00 0.00 C ATOM 728 OD1 ASP A 48 14.857 -17.987 3.431 1.00 0.00 O ATOM 729 OD2 ASP A 48 15.903 -19.917 3.535 1.00 0.00 O ATOM 0 H ASP A 48 15.506 -16.305 0.976 1.00 0.00 H new ATOM 0 HA ASP A 48 17.642 -17.319 2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.428 -18.416 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.758 -19.488 1.253 1.00 0.00 H new ATOM 734 N LYS A 49 17.997 -17.287 -0.697 1.00 0.00 N ATOM 735 CA LYS A 49 18.963 -17.445 -1.777 1.00 0.00 C ATOM 736 C LYS A 49 19.687 -16.132 -2.057 1.00 0.00 C ATOM 737 O LYS A 49 20.843 -16.128 -2.478 1.00 0.00 O ATOM 738 CB LYS A 49 18.264 -17.935 -3.047 1.00 0.00 C ATOM 739 CG LYS A 49 17.830 -19.389 -2.981 1.00 0.00 C ATOM 740 CD LYS A 49 17.076 -19.803 -4.234 1.00 0.00 C ATOM 741 CE LYS A 49 18.027 -20.234 -5.340 1.00 0.00 C ATOM 742 NZ LYS A 49 17.387 -21.194 -6.280 1.00 0.00 N ATOM 0 H LYS A 49 17.099 -16.902 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 49 19.699 -18.186 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.389 -17.312 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.936 -17.803 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.706 -20.026 -2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.197 -19.541 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.397 -20.622 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.464 -18.972 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.364 -19.356 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.912 -20.693 -4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.068 -21.463 -7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.088 -22.043 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.557 -20.748 -6.720 1.00 0.00 H new ATOM 756 N ASN A 50 19.000 -15.020 -1.818 1.00 0.00 N ATOM 757 CA ASN A 50 19.579 -13.701 -2.043 1.00 0.00 C ATOM 758 C ASN A 50 20.673 -13.405 -1.022 1.00 0.00 C ATOM 759 O ASN A 50 20.545 -13.739 0.156 1.00 0.00 O ATOM 760 CB ASN A 50 18.493 -12.625 -1.969 1.00 0.00 C ATOM 761 CG ASN A 50 17.852 -12.357 -3.317 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.479 -12.536 -4.362 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.595 -11.927 -3.300 1.00 0.00 N ATOM 0 H ASN A 50 18.042 -15.006 -1.469 1.00 0.00 H new ATOM 0 HA ASN A 50 20.024 -13.692 -3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.725 -12.935 -1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.926 -11.701 -1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.111 -11.731 -4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.114 -11.793 -2.411 1.00 0.00 H new ATOM 770 N LYS A 51 21.749 -12.776 -1.482 1.00 0.00 N ATOM 771 CA LYS A 51 22.866 -12.433 -0.610 1.00 0.00 C ATOM 772 C LYS A 51 22.987 -10.920 -0.450 1.00 0.00 C ATOM 773 O LYS A 51 23.352 -10.427 0.617 1.00 0.00 O ATOM 774 CB LYS A 51 24.171 -13.002 -1.171 1.00 0.00 C ATOM 775 CG LYS A 51 25.417 -12.408 -0.536 1.00 0.00 C ATOM 776 CD LYS A 51 25.554 -12.825 0.919 1.00 0.00 C ATOM 777 CE LYS A 51 26.916 -12.447 1.481 1.00 0.00 C ATOM 778 NZ LYS A 51 28.023 -13.133 0.760 1.00 0.00 N ATOM 0 H LYS A 51 21.871 -12.493 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 51 22.677 -12.871 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.179 -14.082 -1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.202 -12.825 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 51 26.298 -12.729 -1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.377 -11.321 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.771 -12.350 1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.410 -13.902 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 51 27.051 -11.368 1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 51 26.957 -12.705 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 28.872 -13.147 1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.740 -14.109 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.231 -12.623 -0.122 1.00 0.00 H new ATOM 792 N ASP A 52 22.676 -10.191 -1.516 1.00 0.00 N ATOM 793 CA ASP A 52 22.747 -8.734 -1.492 1.00 0.00 C ATOM 794 C ASP A 52 21.899 -8.167 -0.358 1.00 0.00 C ATOM 795 O ASP A 52 20.769 -8.595 -0.121 1.00 0.00 O ATOM 796 CB ASP A 52 22.282 -8.158 -2.830 1.00 0.00 C ATOM 797 CG ASP A 52 23.419 -8.002 -3.820 1.00 0.00 C ATOM 798 OD1 ASP A 52 24.242 -7.080 -3.639 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.487 -8.802 -4.776 1.00 0.00 O ATOM 0 H ASP A 52 22.373 -10.584 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 52 23.785 -8.448 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.519 -8.809 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 52 21.815 -7.188 -2.662 1.00 0.00 H new ATOM 804 N PRO A 53 22.457 -7.182 0.362 1.00 0.00 N ATOM 805 CA PRO A 53 21.769 -6.535 1.484 1.00 0.00 C ATOM 806 C PRO A 53 20.598 -5.672 1.027 1.00 0.00 C ATOM 807 O PRO A 53 20.790 -4.575 0.504 1.00 0.00 O ATOM 808 CB PRO A 53 22.860 -5.666 2.115 1.00 0.00 C ATOM 809 CG PRO A 53 23.818 -5.396 1.006 1.00 0.00 C ATOM 810 CD PRO A 53 23.800 -6.623 0.135 1.00 0.00 C ATOM 0 HA PRO A 53 21.334 -7.262 2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.447 -4.740 2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.347 -6.181 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.522 -4.512 0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 53 24.819 -5.207 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.960 -6.374 -0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.582 -7.328 0.418 1.00 0.00 H new ATOM 818 N GLY A 54 19.384 -6.176 1.228 1.00 0.00 N ATOM 819 CA GLY A 54 18.200 -5.437 0.831 1.00 0.00 C ATOM 820 C GLY A 54 17.078 -6.345 0.368 1.00 0.00 C ATOM 821 O GLY A 54 15.916 -6.133 0.714 1.00 0.00 O ATOM 0 H GLY A 54 19.200 -7.082 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.853 -4.835 1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.459 -4.746 0.029 1.00 0.00 H new ATOM 825 N ALA A 55 17.426 -7.358 -0.419 1.00 0.00 N ATOM 826 CA ALA A 55 16.439 -8.302 -0.930 1.00 0.00 C ATOM 827 C ALA A 55 15.378 -8.610 0.121 1.00 0.00 C ATOM 828 O ALA A 55 14.187 -8.654 -0.182 1.00 0.00 O ATOM 829 CB ALA A 55 17.121 -9.583 -1.385 1.00 0.00 C ATOM 0 H ALA A 55 18.383 -7.546 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 55 15.943 -7.844 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.373 -10.279 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.836 -9.354 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.644 -10.036 -0.543 1.00 0.00 H new ATOM 835 N GLU A 56 15.820 -8.822 1.357 1.00 0.00 N ATOM 836 CA GLU A 56 14.907 -9.127 2.452 1.00 0.00 C ATOM 837 C GLU A 56 13.834 -8.050 2.583 1.00 0.00 C ATOM 838 O GLU A 56 12.639 -8.336 2.507 1.00 0.00 O ATOM 839 CB GLU A 56 15.678 -9.257 3.768 1.00 0.00 C ATOM 840 CG GLU A 56 14.925 -10.025 4.841 1.00 0.00 C ATOM 841 CD GLU A 56 15.832 -10.510 5.955 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.598 -11.468 5.721 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.775 -9.933 7.061 1.00 0.00 O ATOM 0 H GLU A 56 16.804 -8.788 1.625 1.00 0.00 H new ATOM 0 HA GLU A 56 14.419 -10.076 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.628 -9.756 3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.911 -8.260 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.148 -9.387 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.424 -10.880 4.387 1.00 0.00 H new ATOM 850 N ASP A 57 14.270 -6.811 2.780 1.00 0.00 N ATOM 851 CA ASP A 57 13.348 -5.689 2.921 1.00 0.00 C ATOM 852 C ASP A 57 12.121 -5.880 2.035 1.00 0.00 C ATOM 853 O ASP A 57 10.985 -5.770 2.498 1.00 0.00 O ATOM 854 CB ASP A 57 14.049 -4.377 2.566 1.00 0.00 C ATOM 855 CG ASP A 57 14.802 -3.787 3.743 1.00 0.00 C ATOM 856 OD1 ASP A 57 15.136 -4.547 4.676 1.00 0.00 O ATOM 857 OD2 ASP A 57 15.058 -2.565 3.730 1.00 0.00 O ATOM 0 H ASP A 57 15.256 -6.558 2.846 1.00 0.00 H new ATOM 0 HA ASP A 57 13.021 -5.648 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.743 -4.550 1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.310 -3.657 2.213 1.00 0.00 H new ATOM 862 N ARG A 58 12.357 -6.165 0.758 1.00 0.00 N ATOM 863 CA ARG A 58 11.272 -6.369 -0.193 1.00 0.00 C ATOM 864 C ARG A 58 10.473 -7.622 0.153 1.00 0.00 C ATOM 865 O ARG A 58 9.246 -7.582 0.249 1.00 0.00 O ATOM 866 CB ARG A 58 11.825 -6.480 -1.615 1.00 0.00 C ATOM 867 CG ARG A 58 10.748 -6.621 -2.678 1.00 0.00 C ATOM 868 CD ARG A 58 9.991 -5.318 -2.881 1.00 0.00 C ATOM 869 NE ARG A 58 8.728 -5.522 -3.584 1.00 0.00 N ATOM 870 CZ ARG A 58 8.114 -4.574 -4.283 1.00 0.00 C ATOM 871 NH1 ARG A 58 8.645 -3.363 -4.372 1.00 0.00 N ATOM 872 NH2 ARG A 58 6.967 -4.837 -4.896 1.00 0.00 N ATOM 0 H ARG A 58 13.291 -6.260 0.359 1.00 0.00 H new ATOM 0 HA ARG A 58 10.606 -5.508 -0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.425 -5.596 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.493 -7.340 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.203 -6.929 -3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.050 -7.407 -2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.796 -4.857 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.612 -4.622 -3.446 1.00 0.00 H new ATOM 0 HE ARG A 58 8.293 -6.443 -3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.527 -3.157 -3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.172 -2.637 -4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.556 -5.768 -4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.497 -4.108 -5.432 1.00 0.00 H new ATOM 886 N PHE A 59 11.177 -8.733 0.339 1.00 0.00 N ATOM 887 CA PHE A 59 10.534 -9.999 0.674 1.00 0.00 C ATOM 888 C PHE A 59 9.496 -9.807 1.776 1.00 0.00 C ATOM 889 O PHE A 59 8.383 -10.327 1.692 1.00 0.00 O ATOM 890 CB PHE A 59 11.580 -11.025 1.115 1.00 0.00 C ATOM 891 CG PHE A 59 10.986 -12.253 1.745 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.532 -13.300 0.960 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.880 -12.358 3.123 1.00 0.00 C ATOM 894 CE1 PHE A 59 9.986 -14.431 1.537 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.335 -13.486 3.705 1.00 0.00 C ATOM 896 CZ PHE A 59 9.886 -14.524 2.911 1.00 0.00 C ATOM 0 H PHE A 59 12.193 -8.783 0.264 1.00 0.00 H new ATOM 0 HA PHE A 59 10.027 -10.368 -0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.174 -11.321 0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.261 -10.556 1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.606 -13.232 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.227 -11.549 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.638 -15.241 0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.260 -13.557 4.780 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.458 -15.406 3.364 1.00 0.00 H new ATOM 906 N ILE A 60 9.869 -9.058 2.807 1.00 0.00 N ATOM 907 CA ILE A 60 8.971 -8.797 3.926 1.00 0.00 C ATOM 908 C ILE A 60 7.667 -8.169 3.448 1.00 0.00 C ATOM 909 O ILE A 60 6.583 -8.573 3.867 1.00 0.00 O ATOM 910 CB ILE A 60 9.624 -7.869 4.967 1.00 0.00 C ATOM 911 CG1 ILE A 60 10.912 -8.495 5.505 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.654 -7.582 6.103 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.937 -7.478 5.954 1.00 0.00 C ATOM 0 H ILE A 60 10.787 -8.621 2.892 1.00 0.00 H new ATOM 0 HA ILE A 60 8.759 -9.759 4.392 1.00 0.00 H new ATOM 0 HB ILE A 60 9.876 -6.926 4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.667 -9.146 6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.351 -9.124 4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.130 -6.925 6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.762 -7.098 5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.374 -8.517 6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.824 -7.994 6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.211 -6.842 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.516 -6.864 6.751 1.00 0.00 H new ATOM 925 N GLN A 61 7.780 -7.179 2.567 1.00 0.00 N ATOM 926 CA GLN A 61 6.609 -6.496 2.032 1.00 0.00 C ATOM 927 C GLN A 61 5.724 -7.463 1.252 1.00 0.00 C ATOM 928 O GLN A 61 4.506 -7.489 1.434 1.00 0.00 O ATOM 929 CB GLN A 61 7.036 -5.337 1.130 1.00 0.00 C ATOM 930 CG GLN A 61 7.204 -4.020 1.870 1.00 0.00 C ATOM 931 CD GLN A 61 7.114 -2.818 0.950 1.00 0.00 C ATOM 932 OE1 GLN A 61 8.036 -2.539 0.182 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.000 -2.099 1.022 1.00 0.00 N ATOM 0 H GLN A 61 8.670 -6.833 2.209 1.00 0.00 H new ATOM 0 HA GLN A 61 6.035 -6.102 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.977 -5.594 0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.294 -5.209 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.438 -3.941 2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.169 -4.013 2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.262 -2.366 1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.883 -1.279 0.426 1.00 0.00 H new ATOM 942 N ILE A 62 6.343 -8.256 0.384 1.00 0.00 N ATOM 943 CA ILE A 62 5.612 -9.224 -0.423 1.00 0.00 C ATOM 944 C ILE A 62 4.696 -10.082 0.445 1.00 0.00 C ATOM 945 O ILE A 62 3.496 -10.180 0.190 1.00 0.00 O ATOM 946 CB ILE A 62 6.569 -10.144 -1.204 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.472 -9.315 -2.120 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.781 -11.165 -2.011 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.713 -10.052 -2.572 1.00 0.00 C ATOM 0 H ILE A 62 7.350 -8.247 0.222 1.00 0.00 H new ATOM 0 HA ILE A 62 5.010 -8.654 -1.131 1.00 0.00 H new ATOM 0 HB ILE A 62 7.197 -10.679 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.902 -9.007 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.769 -8.406 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.471 -11.808 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.176 -11.772 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.131 -10.648 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.306 -9.404 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.305 -10.336 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.424 -10.947 -3.123 1.00 0.00 H new ATOM 961 N SER A 63 5.271 -10.700 1.472 1.00 0.00 N ATOM 962 CA SER A 63 4.507 -11.551 2.377 1.00 0.00 C ATOM 963 C SER A 63 3.373 -10.768 3.031 1.00 0.00 C ATOM 964 O SER A 63 2.234 -11.233 3.089 1.00 0.00 O ATOM 965 CB SER A 63 5.423 -12.139 3.452 1.00 0.00 C ATOM 966 OG SER A 63 4.843 -13.289 4.043 1.00 0.00 O ATOM 0 H SER A 63 6.263 -10.627 1.698 1.00 0.00 H new ATOM 0 HA SER A 63 4.074 -12.364 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.386 -12.399 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.616 -11.390 4.220 1.00 0.00 H new ATOM 0 HG SER A 63 5.449 -13.647 4.725 1.00 0.00 H new ATOM 972 N LYS A 64 3.692 -9.576 3.523 1.00 0.00 N ATOM 973 CA LYS A 64 2.702 -8.726 4.173 1.00 0.00 C ATOM 974 C LYS A 64 1.536 -8.434 3.234 1.00 0.00 C ATOM 975 O LYS A 64 0.375 -8.464 3.642 1.00 0.00 O ATOM 976 CB LYS A 64 3.345 -7.414 4.628 1.00 0.00 C ATOM 977 CG LYS A 64 4.363 -7.590 5.742 1.00 0.00 C ATOM 978 CD LYS A 64 3.707 -7.524 7.111 1.00 0.00 C ATOM 979 CE LYS A 64 4.726 -7.238 8.203 1.00 0.00 C ATOM 980 NZ LYS A 64 4.077 -6.770 9.459 1.00 0.00 N ATOM 0 H LYS A 64 4.630 -9.176 3.484 1.00 0.00 H new ATOM 0 HA LYS A 64 2.320 -9.257 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.831 -6.942 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.563 -6.734 4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.869 -8.548 5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.126 -6.815 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.943 -6.747 7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.203 -8.468 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.303 -8.140 8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.429 -6.482 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.805 -6.586 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.547 -5.895 9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.425 -7.502 9.806 1.00 0.00 H new ATOM 994 N ALA A 65 1.852 -8.153 1.974 1.00 0.00 N ATOM 995 CA ALA A 65 0.830 -7.859 0.977 1.00 0.00 C ATOM 996 C ALA A 65 -0.095 -9.053 0.771 1.00 0.00 C ATOM 997 O ALA A 65 -1.312 -8.942 0.927 1.00 0.00 O ATOM 998 CB ALA A 65 1.478 -7.458 -0.340 1.00 0.00 C ATOM 0 H ALA A 65 2.808 -8.123 1.620 1.00 0.00 H new ATOM 0 HA ALA A 65 0.229 -7.026 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.703 -7.241 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.092 -6.571 -0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.103 -8.275 -0.701 1.00 0.00 H new ATOM 1004 N TYR A 66 0.487 -10.194 0.420 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.286 -11.408 0.190 1.00 0.00 C ATOM 1006 C TYR A 66 -1.091 -11.785 1.431 1.00 0.00 C ATOM 1007 O TYR A 66 -2.280 -12.089 1.343 1.00 0.00 O ATOM 1008 CB TYR A 66 0.640 -12.561 -0.200 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.090 -13.856 -0.479 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.336 -13.855 -1.095 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.465 -15.079 -0.125 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -2.007 -15.036 -1.351 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.198 -16.265 -0.378 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.434 -16.238 -0.991 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.098 -17.416 -1.244 1.00 0.00 O ATOM 0 H TYR A 66 1.493 -10.303 0.288 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.981 -11.216 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.208 -12.276 -1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.360 -12.725 0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.787 -12.916 -1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.431 -15.104 0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.975 -15.018 -1.830 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.249 -17.207 -0.098 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.040 -17.226 -1.436 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.432 -11.761 2.585 1.00 0.00 N ATOM 1026 CA GLU A 67 -1.085 -12.100 3.844 1.00 0.00 C ATOM 1027 C GLU A 67 -2.513 -11.562 3.878 1.00 0.00 C ATOM 1028 O GLU A 67 -3.447 -12.273 4.250 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.289 -11.540 5.024 1.00 0.00 C ATOM 1030 CG GLU A 67 0.812 -12.467 5.510 1.00 0.00 C ATOM 1031 CD GLU A 67 0.314 -13.872 5.783 1.00 0.00 C ATOM 1032 OE1 GLU A 67 0.275 -14.682 4.833 1.00 0.00 O ATOM 1033 OE2 GLU A 67 -0.037 -14.162 6.946 1.00 0.00 O ATOM 0 H GLU A 67 0.553 -11.511 2.674 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.122 -13.186 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.152 -10.586 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.972 -11.337 5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.605 -12.506 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.251 -12.058 6.420 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.674 -10.302 3.488 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.986 -9.669 3.473 1.00 0.00 C ATOM 1042 C ILE A 68 -4.966 -10.453 2.607 1.00 0.00 C ATOM 1043 O ILE A 68 -6.053 -10.820 3.056 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.907 -8.220 2.955 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.984 -7.387 3.846 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -5.296 -7.602 2.897 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.599 -6.056 3.240 1.00 0.00 C ATOM 0 H ILE A 68 -1.911 -9.700 3.178 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.342 -9.659 4.503 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.494 -8.232 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.476 -7.213 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.079 -7.958 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.224 -6.578 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.926 -8.185 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.735 -7.599 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.944 -5.519 3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.078 -6.223 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.497 -5.465 3.059 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.573 -10.710 1.364 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.416 -11.454 0.434 1.00 0.00 C ATOM 1061 C LEU A 69 -5.482 -12.928 0.820 1.00 0.00 C ATOM 1062 O LEU A 69 -6.552 -13.451 1.132 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.883 -11.312 -0.993 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.696 -9.882 -1.500 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.619 -9.832 -2.573 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -6.010 -9.329 -2.034 1.00 0.00 C ATOM 0 H LEU A 69 -3.677 -10.414 0.977 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.423 -11.039 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.924 -11.826 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.565 -11.829 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.376 -9.260 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.500 -8.806 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.675 -10.186 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.909 -10.468 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.858 -8.310 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.360 -9.953 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.754 -9.327 -1.238 1.00 0.00 H new ATOM 1078 N SER A 70 -4.331 -13.593 0.797 1.00 0.00 N ATOM 1079 CA SER A 70 -4.259 -15.008 1.143 1.00 0.00 C ATOM 1080 C SER A 70 -5.264 -15.352 2.238 1.00 0.00 C ATOM 1081 O SER A 70 -6.001 -16.331 2.134 1.00 0.00 O ATOM 1082 CB SER A 70 -2.845 -15.371 1.600 1.00 0.00 C ATOM 1083 OG SER A 70 -2.614 -16.765 1.485 1.00 0.00 O ATOM 0 H SER A 70 -3.436 -13.175 0.543 1.00 0.00 H new ATOM 0 HA SER A 70 -4.506 -15.587 0.253 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.115 -14.827 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.703 -15.060 2.635 1.00 0.00 H new ATOM 0 HG SER A 70 -2.533 -17.006 0.539 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.286 -14.538 3.288 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.200 -14.755 4.404 1.00 0.00 C ATOM 1091 C ASN A 71 -7.601 -14.258 4.064 1.00 0.00 C ATOM 1092 O ASN A 71 -7.768 -13.169 3.517 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.684 -14.045 5.658 1.00 0.00 C ATOM 1094 CG ASN A 71 -6.264 -14.628 6.932 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -7.428 -14.399 7.259 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -5.451 -15.387 7.658 1.00 0.00 N ATOM 0 H ASN A 71 -4.682 -13.722 3.390 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.251 -15.827 4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.597 -14.116 5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.933 -12.985 5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.785 -15.807 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.493 -15.550 7.348 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.606 -15.064 4.395 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.993 -14.706 4.124 1.00 0.00 C ATOM 1105 C GLU A 72 -10.393 -13.454 4.901 1.00 0.00 C ATOM 1106 O GLU A 72 -10.785 -12.447 4.314 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.923 -15.865 4.488 1.00 0.00 C ATOM 1108 CG GLU A 72 -10.973 -16.959 3.436 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.532 -16.471 2.113 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -12.772 -16.431 1.971 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -10.729 -16.130 1.220 1.00 0.00 O ATOM 0 H GLU A 72 -8.485 -15.968 4.851 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.086 -14.497 3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.598 -16.297 5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.929 -15.477 4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.969 -17.353 3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.585 -17.783 3.803 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.291 -13.529 6.224 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.643 -12.403 7.081 1.00 0.00 C ATOM 1120 C GLU A 73 -10.021 -11.109 6.564 1.00 0.00 C ATOM 1121 O GLU A 73 -10.724 -10.209 6.105 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.184 -12.664 8.518 1.00 0.00 C ATOM 1123 CG GLU A 73 -11.185 -13.457 9.342 1.00 0.00 C ATOM 1124 CD GLU A 73 -10.859 -13.446 10.823 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -9.811 -14.008 11.203 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -11.652 -12.876 11.601 1.00 0.00 O ATOM 0 H GLU A 73 -9.968 -14.357 6.725 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.728 -12.295 7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.237 -13.203 8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.996 -11.709 9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.183 -13.045 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.208 -14.487 8.986 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.697 -11.024 6.641 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.978 -9.843 6.181 1.00 0.00 C ATOM 1135 C LYS A 74 -8.553 -9.335 4.862 1.00 0.00 C ATOM 1136 O LYS A 74 -9.030 -8.203 4.778 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.490 -10.160 6.012 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.792 -10.512 7.314 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.280 -10.461 7.167 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.587 -10.511 8.520 1.00 0.00 C ATOM 1141 NZ LYS A 74 -3.732 -9.230 9.265 1.00 0.00 N ATOM 0 H LYS A 74 -8.100 -11.760 7.018 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.094 -9.062 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.381 -10.991 5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.992 -9.300 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.106 -9.820 8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.094 -11.510 7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.944 -11.297 6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.995 -9.548 6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.005 -11.325 9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.529 -10.731 8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.074 -9.220 10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.516 -8.434 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.707 -9.140 9.614 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.506 -10.179 3.837 1.00 0.00 N ATOM 1156 CA ARG A 75 -9.022 -9.815 2.523 1.00 0.00 C ATOM 1157 C ARG A 75 -10.361 -9.093 2.646 1.00 0.00 C ATOM 1158 O ARG A 75 -10.518 -7.967 2.174 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.182 -11.062 1.651 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.226 -10.761 0.162 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.700 -11.966 -0.636 1.00 0.00 C ATOM 1162 NE ARG A 75 -11.152 -11.978 -0.799 1.00 0.00 N ATOM 1163 CZ ARG A 75 -11.788 -11.321 -1.761 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.105 -10.603 -2.642 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -13.111 -11.380 -1.844 1.00 0.00 N ATOM 0 H ARG A 75 -8.116 -11.120 3.891 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.306 -9.141 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.355 -11.744 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.098 -11.579 1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.892 -9.918 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.235 -10.464 -0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.225 -11.961 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.384 -12.880 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.707 -12.521 -0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.088 -10.554 -2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.597 -10.099 -3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.640 -11.931 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.599 -10.875 -2.584 1.00 0.00 H new ATOM 1179 N THR A 76 -11.325 -9.749 3.285 1.00 0.00 N ATOM 1180 CA THR A 76 -12.651 -9.172 3.469 1.00 0.00 C ATOM 1181 C THR A 76 -12.564 -7.787 4.100 1.00 0.00 C ATOM 1182 O THR A 76 -13.111 -6.819 3.573 1.00 0.00 O ATOM 1183 CB THR A 76 -13.538 -10.071 4.351 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.690 -11.357 3.741 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.905 -9.439 4.563 1.00 0.00 C ATOM 0 H THR A 76 -11.212 -10.681 3.684 1.00 0.00 H new ATOM 0 HA THR A 76 -13.101 -9.090 2.479 1.00 0.00 H new ATOM 0 HB THR A 76 -13.054 -10.185 5.321 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.848 -11.853 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.514 -10.091 5.189 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.787 -8.473 5.053 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.395 -9.300 3.599 1.00 0.00 H new