USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 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 67 GLN : amide:sc= -0.0305 X(o=-0.19,f=-0.59) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 140:sc= -0.16 (180deg=-1.11!) USER MOD Single : A 27 CYS SG : rot 130:sc= -0.0768 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -130:sc= -0.21 (180deg=-0.954) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -35:sc= -0.215 USER MOD Single : A 63 GLN : amide:sc= -5.76! C(o=-5.8!,f=-7.4!) USER MOD Single : A 66 SER OG : rot -121:sc= 0.814 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.0295 (180deg=-0.107) USER MOD Single : A 77 HIS : no HE2:sc= -2.52 X(o=-2.5,f=-2.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.84 X(o=-0.84,f=-1.1) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -111:sc= 0.157 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 16 -0.810 9.374 0.474 1.00 0.00 N ATOM 168 CA GLY A 16 -1.031 7.974 0.160 1.00 0.00 C ATOM 169 C GLY A 16 -0.010 7.066 0.813 1.00 0.00 C ATOM 170 O GLY A 16 0.204 5.937 0.368 1.00 0.00 O ATOM 0 HA2 GLY A 16 -2.030 7.685 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.996 7.837 -0.921 1.00 0.00 H new ATOM 174 N PHE A 17 0.625 7.555 1.873 1.00 0.00 N ATOM 175 CA PHE A 17 1.631 6.780 2.588 1.00 0.00 C ATOM 176 C PHE A 17 0.986 5.644 3.375 1.00 0.00 C ATOM 177 O PHE A 17 -0.125 5.781 3.888 1.00 0.00 O ATOM 178 CB PHE A 17 2.424 7.684 3.534 1.00 0.00 C ATOM 179 CG PHE A 17 3.791 8.037 3.022 1.00 0.00 C ATOM 180 CD1 PHE A 17 4.855 7.167 3.193 1.00 0.00 C ATOM 181 CD2 PHE A 17 4.011 9.239 2.368 1.00 0.00 C ATOM 182 CE1 PHE A 17 6.115 7.490 2.723 1.00 0.00 C ATOM 183 CE2 PHE A 17 5.268 9.568 1.896 1.00 0.00 C ATOM 184 CZ PHE A 17 6.321 8.691 2.072 1.00 0.00 C ATOM 0 H PHE A 17 0.460 8.486 2.256 1.00 0.00 H new ATOM 0 HA PHE A 17 2.310 6.349 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.861 8.601 3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.524 7.188 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.699 6.226 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.191 9.927 2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.937 6.804 2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.427 10.509 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.303 8.944 1.701 1.00 0.00 H new ATOM 194 N VAL A 18 1.689 4.520 3.465 1.00 0.00 N ATOM 195 CA VAL A 18 1.186 3.358 4.188 1.00 0.00 C ATOM 196 C VAL A 18 2.303 2.666 4.960 1.00 0.00 C ATOM 197 O VAL A 18 3.445 2.611 4.505 1.00 0.00 O ATOM 198 CB VAL A 18 0.531 2.342 3.233 1.00 0.00 C ATOM 199 CG1 VAL A 18 -0.802 2.870 2.724 1.00 0.00 C ATOM 200 CG2 VAL A 18 1.464 2.022 2.075 1.00 0.00 C ATOM 0 H VAL A 18 2.610 4.389 3.046 1.00 0.00 H new ATOM 0 HA VAL A 18 0.435 3.722 4.889 1.00 0.00 H new ATOM 0 HB VAL A 18 0.343 1.420 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.250 2.139 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.470 3.044 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.642 3.806 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.985 1.303 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.685 2.935 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.391 1.598 2.461 1.00 0.00 H new ATOM 210 N ARG A 19 1.965 2.138 6.133 1.00 0.00 N ATOM 211 CA ARG A 19 2.940 1.449 6.970 1.00 0.00 C ATOM 212 C ARG A 19 2.685 -0.056 6.975 1.00 0.00 C ATOM 213 O ARG A 19 1.537 -0.501 6.970 1.00 0.00 O ATOM 214 CB ARG A 19 2.889 1.991 8.399 1.00 0.00 C ATOM 215 CG ARG A 19 3.828 1.274 9.356 1.00 0.00 C ATOM 216 CD ARG A 19 3.650 1.766 10.784 1.00 0.00 C ATOM 217 NE ARG A 19 2.628 1.008 11.501 1.00 0.00 N ATOM 218 CZ ARG A 19 2.421 1.110 12.809 1.00 0.00 C ATOM 219 NH1 ARG A 19 3.160 1.933 13.539 1.00 0.00 N ATOM 220 NH2 ARG A 19 1.471 0.387 13.389 1.00 0.00 N ATOM 0 H ARG A 19 1.024 2.174 6.524 1.00 0.00 H new ATOM 0 HA ARG A 19 3.931 1.630 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.138 3.052 8.385 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.869 1.908 8.774 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.642 0.201 9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.860 1.432 9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.599 1.688 11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.377 2.821 10.772 1.00 0.00 H new ATOM 0 HE ARG A 19 2.041 0.366 10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.891 2.491 13.097 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.998 2.009 14.543 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.900 -0.247 12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.312 0.465 14.393 1.00 0.00 H new ATOM 234 N LEU A 20 3.762 -0.832 6.985 1.00 0.00 N ATOM 235 CA LEU A 20 3.656 -2.288 6.991 1.00 0.00 C ATOM 236 C LEU A 20 4.293 -2.875 8.246 1.00 0.00 C ATOM 237 O LEU A 20 5.311 -2.377 8.729 1.00 0.00 O ATOM 238 CB LEU A 20 4.324 -2.872 5.745 1.00 0.00 C ATOM 239 CG LEU A 20 4.215 -2.034 4.470 1.00 0.00 C ATOM 240 CD1 LEU A 20 5.000 -2.681 3.339 1.00 0.00 C ATOM 241 CD2 LEU A 20 2.757 -1.853 4.074 1.00 0.00 C ATOM 0 H LEU A 20 4.719 -0.479 6.989 1.00 0.00 H new ATOM 0 HA LEU A 20 2.598 -2.551 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.380 -3.029 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.889 -3.852 5.550 1.00 0.00 H new ATOM 0 HG LEU A 20 4.642 -1.050 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.912 -2.072 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.050 -2.759 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.602 -3.677 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.698 -1.254 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.305 -2.829 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.222 -1.346 4.877 1.00 0.00 H new ATOM 253 N ARG A 21 3.690 -3.938 8.767 1.00 0.00 N ATOM 254 CA ARG A 21 4.199 -4.594 9.966 1.00 0.00 C ATOM 255 C ARG A 21 4.144 -6.112 9.820 1.00 0.00 C ATOM 256 O ARG A 21 3.092 -6.680 9.532 1.00 0.00 O ATOM 257 CB ARG A 21 3.395 -4.159 11.192 1.00 0.00 C ATOM 258 CG ARG A 21 4.171 -3.264 12.144 1.00 0.00 C ATOM 259 CD ARG A 21 3.441 -3.092 13.467 1.00 0.00 C ATOM 260 NE ARG A 21 3.899 -4.048 14.472 1.00 0.00 N ATOM 261 CZ ARG A 21 5.121 -4.037 14.995 1.00 0.00 C ATOM 262 NH1 ARG A 21 6.001 -3.124 14.610 1.00 0.00 N ATOM 263 NH2 ARG A 21 5.463 -4.939 15.905 1.00 0.00 N ATOM 0 H ARG A 21 2.849 -4.364 8.378 1.00 0.00 H new ATOM 0 HA ARG A 21 5.239 -4.296 10.099 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.500 -3.633 10.861 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.062 -5.046 11.731 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.157 -3.691 12.324 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.326 -2.288 11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.593 -2.078 13.836 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.370 -3.217 13.309 1.00 0.00 H new ATOM 0 HE ARG A 21 3.245 -4.763 14.790 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.741 -2.428 13.911 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.938 -3.117 15.013 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.788 -5.643 16.205 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.401 -4.929 16.305 1.00 0.00 H new ATOM 277 N GLY A 22 5.286 -6.763 10.019 1.00 0.00 N ATOM 278 CA GLY A 22 5.347 -8.209 9.905 1.00 0.00 C ATOM 279 C GLY A 22 5.947 -8.661 8.589 1.00 0.00 C ATOM 280 O GLY A 22 5.482 -9.628 7.985 1.00 0.00 O ATOM 0 H GLY A 22 6.171 -6.315 10.257 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.939 -8.611 10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.343 -8.621 10.004 1.00 0.00 H new ATOM 284 N LEU A 23 6.983 -7.960 8.141 1.00 0.00 N ATOM 285 CA LEU A 23 7.648 -8.294 6.886 1.00 0.00 C ATOM 286 C LEU A 23 8.584 -9.484 7.066 1.00 0.00 C ATOM 287 O LEU A 23 9.225 -9.651 8.105 1.00 0.00 O ATOM 288 CB LEU A 23 8.432 -7.088 6.365 1.00 0.00 C ATOM 289 CG LEU A 23 7.648 -5.782 6.238 1.00 0.00 C ATOM 290 CD1 LEU A 23 8.590 -4.617 5.977 1.00 0.00 C ATOM 291 CD2 LEU A 23 6.610 -5.889 5.130 1.00 0.00 C ATOM 0 H LEU A 23 7.381 -7.157 8.628 1.00 0.00 H new ATOM 0 HA LEU A 23 6.883 -8.564 6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.279 -6.917 7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.840 -7.340 5.386 1.00 0.00 H new ATOM 0 HG LEU A 23 7.129 -5.599 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.014 -3.696 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.295 -4.527 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.137 -4.792 5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.061 -4.950 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.109 -6.096 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.916 -6.698 5.359 1.00 0.00 H new ATOM 303 N PRO A 24 8.670 -10.333 6.031 1.00 0.00 N ATOM 304 CA PRO A 24 9.527 -11.522 6.050 1.00 0.00 C ATOM 305 C PRO A 24 11.010 -11.167 6.007 1.00 0.00 C ATOM 306 O PRO A 24 11.385 -10.077 5.575 1.00 0.00 O ATOM 307 CB PRO A 24 9.121 -12.272 4.780 1.00 0.00 C ATOM 308 CG PRO A 24 8.585 -11.221 3.872 1.00 0.00 C ATOM 309 CD PRO A 24 7.934 -10.197 4.762 1.00 0.00 C ATOM 0 HA PRO A 24 9.399 -12.102 6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.974 -12.783 4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.369 -13.032 4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.383 -10.773 3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.865 -11.642 3.170 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.024 -9.192 4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.870 -10.395 4.891 1.00 0.00 H new ATOM 317 N PHE A 25 11.848 -12.094 6.458 1.00 0.00 N ATOM 318 CA PHE A 25 13.290 -11.879 6.473 1.00 0.00 C ATOM 319 C PHE A 25 13.837 -11.767 5.052 1.00 0.00 C ATOM 320 O PHE A 25 13.950 -12.762 4.338 1.00 0.00 O ATOM 321 CB PHE A 25 13.991 -13.021 7.212 1.00 0.00 C ATOM 322 CG PHE A 25 15.227 -12.590 7.947 1.00 0.00 C ATOM 323 CD1 PHE A 25 15.135 -11.780 9.068 1.00 0.00 C ATOM 324 CD2 PHE A 25 16.481 -12.996 7.518 1.00 0.00 C ATOM 325 CE1 PHE A 25 16.272 -11.382 9.746 1.00 0.00 C ATOM 326 CE2 PHE A 25 17.621 -12.600 8.193 1.00 0.00 C ATOM 327 CZ PHE A 25 17.516 -11.792 9.308 1.00 0.00 C ATOM 0 H PHE A 25 11.553 -13.002 6.818 1.00 0.00 H new ATOM 0 HA PHE A 25 13.487 -10.943 6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.293 -13.467 7.921 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.257 -13.798 6.495 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.165 -11.456 9.415 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.569 -13.629 6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.188 -10.751 10.618 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.593 -12.922 7.849 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.405 -11.481 9.837 1.00 0.00 H new ATOM 337 N GLY A 26 14.175 -10.545 4.650 1.00 0.00 N ATOM 338 CA GLY A 26 14.705 -10.324 3.317 1.00 0.00 C ATOM 339 C GLY A 26 13.762 -9.519 2.444 1.00 0.00 C ATOM 340 O GLY A 26 14.012 -9.338 1.252 1.00 0.00 O ATOM 0 H GLY A 26 14.091 -9.705 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.660 -9.804 3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.902 -11.286 2.843 1.00 0.00 H new ATOM 344 N CYS A 27 12.677 -9.037 3.038 1.00 0.00 N ATOM 345 CA CYS A 27 11.691 -8.248 2.306 1.00 0.00 C ATOM 346 C CYS A 27 12.311 -6.961 1.774 1.00 0.00 C ATOM 347 O CYS A 27 12.978 -6.232 2.507 1.00 0.00 O ATOM 348 CB CYS A 27 10.499 -7.921 3.206 1.00 0.00 C ATOM 349 SG CYS A 27 9.215 -6.935 2.400 1.00 0.00 S ATOM 0 H CYS A 27 12.457 -9.178 4.024 1.00 0.00 H new ATOM 0 HA CYS A 27 11.345 -8.840 1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.058 -8.853 3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.857 -7.384 4.084 1.00 0.00 H new ATOM 0 HG CYS A 27 8.056 -7.494 2.588 1.00 0.00 H new ATOM 355 N SER A 28 12.088 -6.688 0.492 1.00 0.00 N ATOM 356 CA SER A 28 12.630 -5.491 -0.140 1.00 0.00 C ATOM 357 C SER A 28 11.662 -4.943 -1.184 1.00 0.00 C ATOM 358 O SER A 28 10.677 -5.593 -1.537 1.00 0.00 O ATOM 359 CB SER A 28 13.980 -5.799 -0.791 1.00 0.00 C ATOM 360 OG SER A 28 14.919 -6.248 0.169 1.00 0.00 O ATOM 0 H SER A 28 11.536 -7.280 -0.129 1.00 0.00 H new ATOM 0 HA SER A 28 12.771 -4.734 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.851 -6.560 -1.561 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.361 -4.906 -1.286 1.00 0.00 H new ATOM 0 HG SER A 28 15.773 -6.439 -0.273 1.00 0.00 H new ATOM 366 N LYS A 29 11.949 -3.742 -1.675 1.00 0.00 N ATOM 367 CA LYS A 29 11.106 -3.104 -2.679 1.00 0.00 C ATOM 368 C LYS A 29 10.781 -4.073 -3.812 1.00 0.00 C ATOM 369 O LYS A 29 9.654 -4.112 -4.303 1.00 0.00 O ATOM 370 CB LYS A 29 11.800 -1.861 -3.241 1.00 0.00 C ATOM 371 CG LYS A 29 11.959 -0.742 -2.226 1.00 0.00 C ATOM 372 CD LYS A 29 13.175 0.118 -2.530 1.00 0.00 C ATOM 373 CE LYS A 29 13.492 1.060 -1.380 1.00 0.00 C ATOM 374 NZ LYS A 29 14.345 2.201 -1.817 1.00 0.00 N ATOM 0 H LYS A 29 12.760 -3.191 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 29 10.173 -2.807 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.784 -2.143 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.229 -1.490 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.064 -0.120 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.053 -1.167 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.035 -0.522 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.996 0.696 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.563 1.442 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.000 0.509 -0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.539 2.820 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.242 1.838 -2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.850 2.742 -2.554 1.00 0.00 H new ATOM 388 N GLU A 30 11.776 -4.855 -4.220 1.00 0.00 N ATOM 389 CA GLU A 30 11.593 -5.824 -5.295 1.00 0.00 C ATOM 390 C GLU A 30 10.389 -6.719 -5.020 1.00 0.00 C ATOM 391 O GLU A 30 9.611 -7.023 -5.924 1.00 0.00 O ATOM 392 CB GLU A 30 12.852 -6.679 -5.459 1.00 0.00 C ATOM 393 CG GLU A 30 13.842 -6.118 -6.466 1.00 0.00 C ATOM 394 CD GLU A 30 15.139 -6.903 -6.509 1.00 0.00 C ATOM 395 OE1 GLU A 30 15.141 -8.016 -7.072 1.00 0.00 O ATOM 396 OE2 GLU A 30 16.152 -6.401 -5.977 1.00 0.00 O ATOM 0 H GLU A 30 12.715 -4.837 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 30 11.412 -5.275 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.345 -6.774 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.561 -7.683 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.387 -6.120 -7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.059 -5.079 -6.217 1.00 0.00 H new ATOM 403 N GLU A 31 10.244 -7.138 -3.767 1.00 0.00 N ATOM 404 CA GLU A 31 9.134 -8.000 -3.375 1.00 0.00 C ATOM 405 C GLU A 31 7.867 -7.184 -3.140 1.00 0.00 C ATOM 406 O GLU A 31 6.756 -7.660 -3.376 1.00 0.00 O ATOM 407 CB GLU A 31 9.491 -8.783 -2.109 1.00 0.00 C ATOM 408 CG GLU A 31 10.255 -10.067 -2.382 1.00 0.00 C ATOM 409 CD GLU A 31 10.215 -11.030 -1.212 1.00 0.00 C ATOM 410 OE1 GLU A 31 10.038 -10.566 -0.066 1.00 0.00 O ATOM 411 OE2 GLU A 31 10.358 -12.250 -1.442 1.00 0.00 O ATOM 0 H GLU A 31 10.880 -6.895 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 31 8.948 -8.701 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.088 -8.147 -1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.574 -9.023 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.837 -10.554 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.292 -9.826 -2.614 1.00 0.00 H new ATOM 418 N ILE A 32 8.042 -5.951 -2.676 1.00 0.00 N ATOM 419 CA ILE A 32 6.913 -5.068 -2.411 1.00 0.00 C ATOM 420 C ILE A 32 6.206 -4.676 -3.703 1.00 0.00 C ATOM 421 O ILE A 32 5.037 -5.002 -3.908 1.00 0.00 O ATOM 422 CB ILE A 32 7.358 -3.791 -1.675 1.00 0.00 C ATOM 423 CG1 ILE A 32 8.013 -4.147 -0.339 1.00 0.00 C ATOM 424 CG2 ILE A 32 6.172 -2.863 -1.459 1.00 0.00 C ATOM 425 CD1 ILE A 32 8.622 -2.960 0.372 1.00 0.00 C ATOM 0 H ILE A 32 8.954 -5.541 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 32 6.222 -5.622 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 32 8.093 -3.272 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.268 -4.606 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.788 -4.894 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.503 -1.965 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.746 -2.586 -2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.416 -3.372 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.068 -3.288 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.391 -2.514 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.847 -2.221 0.577 1.00 0.00 H new ATOM 437 N VAL A 33 6.924 -3.975 -4.575 1.00 0.00 N ATOM 438 CA VAL A 33 6.366 -3.541 -5.851 1.00 0.00 C ATOM 439 C VAL A 33 5.378 -4.566 -6.396 1.00 0.00 C ATOM 440 O VAL A 33 4.279 -4.214 -6.825 1.00 0.00 O ATOM 441 CB VAL A 33 7.474 -3.304 -6.895 1.00 0.00 C ATOM 442 CG1 VAL A 33 6.873 -3.153 -8.284 1.00 0.00 C ATOM 443 CG2 VAL A 33 8.302 -2.083 -6.527 1.00 0.00 C ATOM 0 H VAL A 33 7.893 -3.696 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 33 5.844 -2.602 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 33 8.134 -4.171 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.670 -2.986 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.329 -4.060 -8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.189 -2.304 -8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.079 -1.931 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.658 -1.204 -6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.763 -2.237 -5.551 1.00 0.00 H new ATOM 453 N GLN A 34 5.776 -5.832 -6.375 1.00 0.00 N ATOM 454 CA GLN A 34 4.925 -6.909 -6.868 1.00 0.00 C ATOM 455 C GLN A 34 3.771 -7.173 -5.907 1.00 0.00 C ATOM 456 O GLN A 34 2.635 -7.391 -6.330 1.00 0.00 O ATOM 457 CB GLN A 34 5.744 -8.187 -7.064 1.00 0.00 C ATOM 458 CG GLN A 34 6.179 -8.415 -8.502 1.00 0.00 C ATOM 459 CD GLN A 34 6.949 -9.709 -8.680 1.00 0.00 C ATOM 460 OE1 GLN A 34 6.955 -10.567 -7.798 1.00 0.00 O ATOM 461 NE2 GLN A 34 7.606 -9.855 -9.826 1.00 0.00 N ATOM 0 H GLN A 34 6.683 -6.139 -6.022 1.00 0.00 H new ATOM 0 HA GLN A 34 4.512 -6.601 -7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.628 -8.143 -6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.154 -9.041 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.300 -8.428 -9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.799 -7.580 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.573 -9.118 -10.530 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.143 -10.704 -10.002 1.00 0.00 H new ATOM 470 N PHE A 35 4.069 -7.152 -4.612 1.00 0.00 N ATOM 471 CA PHE A 35 3.055 -7.391 -3.591 1.00 0.00 C ATOM 472 C PHE A 35 1.859 -6.463 -3.783 1.00 0.00 C ATOM 473 O PHE A 35 0.737 -6.789 -3.396 1.00 0.00 O ATOM 474 CB PHE A 35 3.651 -7.191 -2.195 1.00 0.00 C ATOM 475 CG PHE A 35 2.616 -7.011 -1.123 1.00 0.00 C ATOM 476 CD1 PHE A 35 2.012 -8.109 -0.531 1.00 0.00 C ATOM 477 CD2 PHE A 35 2.246 -5.743 -0.705 1.00 0.00 C ATOM 478 CE1 PHE A 35 1.059 -7.946 0.457 1.00 0.00 C ATOM 479 CE2 PHE A 35 1.294 -5.574 0.283 1.00 0.00 C ATOM 480 CZ PHE A 35 0.699 -6.676 0.864 1.00 0.00 C ATOM 0 H PHE A 35 5.003 -6.972 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 35 2.712 -8.421 -3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.273 -8.051 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.304 -6.318 -2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.289 -9.104 -0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.707 -4.877 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.597 -8.810 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.016 -4.580 0.600 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.046 -6.545 1.635 1.00 0.00 H new ATOM 490 N PHE A 36 2.109 -5.303 -4.384 1.00 0.00 N ATOM 491 CA PHE A 36 1.054 -4.326 -4.627 1.00 0.00 C ATOM 492 C PHE A 36 0.663 -4.304 -6.102 1.00 0.00 C ATOM 493 O PHE A 36 0.394 -3.245 -6.668 1.00 0.00 O ATOM 494 CB PHE A 36 1.509 -2.933 -4.187 1.00 0.00 C ATOM 495 CG PHE A 36 1.411 -2.711 -2.706 1.00 0.00 C ATOM 496 CD1 PHE A 36 0.215 -2.920 -2.037 1.00 0.00 C ATOM 497 CD2 PHE A 36 2.515 -2.291 -1.979 1.00 0.00 C ATOM 498 CE1 PHE A 36 0.122 -2.716 -0.674 1.00 0.00 C ATOM 499 CE2 PHE A 36 2.427 -2.087 -0.615 1.00 0.00 C ATOM 500 CZ PHE A 36 1.229 -2.298 0.038 1.00 0.00 C ATOM 0 H PHE A 36 3.032 -5.018 -4.711 1.00 0.00 H new ATOM 0 HA PHE A 36 0.181 -4.617 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.541 -2.780 -4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.906 -2.184 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.655 -3.246 -2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.454 -2.121 -2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.816 -2.883 -0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.295 -1.763 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.158 -2.136 1.103 1.00 0.00 H new ATOM 510 N SER A 37 0.634 -5.481 -6.718 1.00 0.00 N ATOM 511 CA SER A 37 0.280 -5.598 -8.128 1.00 0.00 C ATOM 512 C SER A 37 -1.019 -4.855 -8.425 1.00 0.00 C ATOM 513 O SER A 37 -1.934 -4.826 -7.603 1.00 0.00 O ATOM 514 CB SER A 37 0.141 -7.069 -8.521 1.00 0.00 C ATOM 515 OG SER A 37 -1.045 -7.631 -7.985 1.00 0.00 O ATOM 0 H SER A 37 0.851 -6.368 -6.263 1.00 0.00 H new ATOM 0 HA SER A 37 1.079 -5.147 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.131 -7.159 -9.607 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.006 -7.628 -8.163 1.00 0.00 H new ATOM 0 HG SER A 37 -1.111 -8.572 -8.252 1.00 0.00 H new ATOM 521 N GLY A 38 -1.092 -4.253 -9.609 1.00 0.00 N ATOM 522 CA GLY A 38 -2.282 -3.518 -9.995 1.00 0.00 C ATOM 523 C GLY A 38 -2.254 -2.079 -9.519 1.00 0.00 C ATOM 524 O GLY A 38 -2.844 -1.198 -10.146 1.00 0.00 O ATOM 0 H GLY A 38 -0.348 -4.262 -10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.381 -3.537 -11.080 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.161 -4.016 -9.586 1.00 0.00 H new ATOM 528 N LEU A 39 -1.570 -1.838 -8.406 1.00 0.00 N ATOM 529 CA LEU A 39 -1.469 -0.496 -7.844 1.00 0.00 C ATOM 530 C LEU A 39 -0.256 0.240 -8.406 1.00 0.00 C ATOM 531 O LEU A 39 0.727 -0.382 -8.807 1.00 0.00 O ATOM 532 CB LEU A 39 -1.376 -0.566 -6.319 1.00 0.00 C ATOM 533 CG LEU A 39 -2.527 -1.280 -5.608 1.00 0.00 C ATOM 534 CD1 LEU A 39 -2.035 -1.943 -4.331 1.00 0.00 C ATOM 535 CD2 LEU A 39 -3.655 -0.306 -5.306 1.00 0.00 C ATOM 0 H LEU A 39 -1.077 -2.555 -7.875 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.367 0.056 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.445 -1.068 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.311 0.451 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.913 -2.055 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.867 -2.446 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.263 -2.673 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.622 -1.186 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.465 -0.832 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.284 0.492 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.026 0.121 -6.238 1.00 0.00 H new ATOM 547 N GLU A 40 -0.333 1.567 -8.429 1.00 0.00 N ATOM 548 CA GLU A 40 0.759 2.385 -8.939 1.00 0.00 C ATOM 549 C GLU A 40 1.459 3.129 -7.805 1.00 0.00 C ATOM 550 O GLU A 40 0.826 3.869 -7.051 1.00 0.00 O ATOM 551 CB GLU A 40 0.237 3.386 -9.973 1.00 0.00 C ATOM 552 CG GLU A 40 1.151 4.581 -10.181 1.00 0.00 C ATOM 553 CD GLU A 40 0.776 5.398 -11.402 1.00 0.00 C ATOM 554 OE1 GLU A 40 -0.309 6.018 -11.389 1.00 0.00 O ATOM 555 OE2 GLU A 40 1.564 5.416 -12.370 1.00 0.00 O ATOM 0 H GLU A 40 -1.140 2.097 -8.100 1.00 0.00 H new ATOM 0 HA GLU A 40 1.481 1.723 -9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.101 2.874 -10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.745 3.741 -9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.116 5.218 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.179 4.234 -10.283 1.00 0.00 H new ATOM 562 N ILE A 41 2.767 2.925 -7.690 1.00 0.00 N ATOM 563 CA ILE A 41 3.553 3.575 -6.649 1.00 0.00 C ATOM 564 C ILE A 41 4.622 4.480 -7.251 1.00 0.00 C ATOM 565 O ILE A 41 5.104 4.238 -8.358 1.00 0.00 O ATOM 566 CB ILE A 41 4.229 2.544 -5.727 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.227 1.465 -5.312 1.00 0.00 C ATOM 568 CG2 ILE A 41 4.814 3.231 -4.502 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.870 0.132 -4.995 1.00 0.00 C ATOM 0 H ILE A 41 3.305 2.314 -8.305 1.00 0.00 H new ATOM 0 HA ILE A 41 2.860 4.177 -6.061 1.00 0.00 H new ATOM 0 HB ILE A 41 5.042 2.067 -6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.675 1.810 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.501 1.328 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.288 2.489 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.555 3.966 -4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.018 3.732 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.100 -0.584 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.398 -0.235 -5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.575 0.255 -4.173 1.00 0.00 H new ATOM 581 N VAL A 42 4.990 5.524 -6.515 1.00 0.00 N ATOM 582 CA VAL A 42 6.006 6.463 -6.975 1.00 0.00 C ATOM 583 C VAL A 42 7.400 5.855 -6.881 1.00 0.00 C ATOM 584 O VAL A 42 7.690 5.033 -6.012 1.00 0.00 O ATOM 585 CB VAL A 42 5.972 7.769 -6.159 1.00 0.00 C ATOM 586 CG1 VAL A 42 4.708 8.558 -6.463 1.00 0.00 C ATOM 587 CG2 VAL A 42 6.078 7.470 -4.671 1.00 0.00 C ATOM 0 H VAL A 42 4.600 5.741 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 42 5.781 6.687 -8.018 1.00 0.00 H new ATOM 0 HB VAL A 42 6.829 8.378 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.703 9.477 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.679 8.805 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.834 7.959 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.052 8.404 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.242 6.840 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.015 6.951 -4.470 1.00 0.00 H new ATOM 597 N PRO A 43 8.287 6.266 -7.800 1.00 0.00 N ATOM 598 CA PRO A 43 9.668 5.774 -7.842 1.00 0.00 C ATOM 599 C PRO A 43 10.500 6.281 -6.669 1.00 0.00 C ATOM 600 O PRO A 43 10.628 7.488 -6.462 1.00 0.00 O ATOM 601 CB PRO A 43 10.204 6.339 -9.161 1.00 0.00 C ATOM 602 CG PRO A 43 9.375 7.548 -9.421 1.00 0.00 C ATOM 603 CD PRO A 43 8.011 7.243 -8.867 1.00 0.00 C ATOM 0 HA PRO A 43 9.716 4.687 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.261 6.593 -9.082 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.110 5.614 -9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.804 8.426 -8.939 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.323 7.763 -10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.526 8.138 -8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.351 6.830 -9.629 1.00 0.00 H new ATOM 611 N ASN A 44 11.064 5.351 -5.905 1.00 0.00 N ATOM 612 CA ASN A 44 11.883 5.704 -4.752 1.00 0.00 C ATOM 613 C ASN A 44 11.017 6.203 -3.599 1.00 0.00 C ATOM 614 O ASN A 44 11.472 6.971 -2.753 1.00 0.00 O ATOM 615 CB ASN A 44 12.906 6.776 -5.135 1.00 0.00 C ATOM 616 CG ASN A 44 14.321 6.391 -4.748 1.00 0.00 C ATOM 617 OD1 ASN A 44 14.918 5.496 -5.347 1.00 0.00 O ATOM 618 ND2 ASN A 44 14.864 7.065 -3.743 1.00 0.00 N ATOM 0 H ASN A 44 10.969 4.348 -6.064 1.00 0.00 H new ATOM 0 HA ASN A 44 12.410 4.807 -4.426 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.861 6.949 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.642 7.716 -4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.813 6.849 -3.438 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.332 7.799 -3.275 1.00 0.00 H new ATOM 625 N GLY A 45 9.764 5.759 -3.574 1.00 0.00 N ATOM 626 CA GLY A 45 8.852 6.169 -2.521 1.00 0.00 C ATOM 627 C GLY A 45 8.622 5.078 -1.495 1.00 0.00 C ATOM 628 O GLY A 45 7.494 4.857 -1.056 1.00 0.00 O ATOM 0 H GLY A 45 9.364 5.123 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.251 7.053 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.897 6.455 -2.963 1.00 0.00 H new ATOM 632 N MET A 46 9.694 4.391 -1.113 1.00 0.00 N ATOM 633 CA MET A 46 9.603 3.316 -0.132 1.00 0.00 C ATOM 634 C MET A 46 10.745 3.401 0.875 1.00 0.00 C ATOM 635 O MET A 46 11.895 3.648 0.509 1.00 0.00 O ATOM 636 CB MET A 46 9.626 1.955 -0.832 1.00 0.00 C ATOM 637 CG MET A 46 8.319 1.606 -1.525 1.00 0.00 C ATOM 638 SD MET A 46 8.314 -0.067 -2.199 1.00 0.00 S ATOM 639 CE MET A 46 7.563 0.216 -3.800 1.00 0.00 C ATOM 0 H MET A 46 10.635 4.560 -1.468 1.00 0.00 H new ATOM 0 HA MET A 46 8.660 3.426 0.404 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.431 1.947 -1.567 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.857 1.182 -0.099 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.498 1.710 -0.816 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.138 2.318 -2.330 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.750 -0.494 -3.951 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.171 1.232 -3.843 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.311 0.082 -4.581 1.00 0.00 H new ATOM 649 N THR A 47 10.421 3.195 2.148 1.00 0.00 N ATOM 650 CA THR A 47 11.419 3.250 3.209 1.00 0.00 C ATOM 651 C THR A 47 11.467 1.941 3.988 1.00 0.00 C ATOM 652 O THR A 47 10.443 1.459 4.475 1.00 0.00 O ATOM 653 CB THR A 47 11.136 4.407 4.188 1.00 0.00 C ATOM 654 OG1 THR A 47 11.260 5.663 3.511 1.00 0.00 O ATOM 655 CG2 THR A 47 12.094 4.364 5.368 1.00 0.00 C ATOM 0 H THR A 47 9.475 2.989 2.469 1.00 0.00 H new ATOM 0 HA THR A 47 12.382 3.418 2.728 1.00 0.00 H new ATOM 0 HB THR A 47 10.119 4.296 4.563 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.077 6.393 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.875 5.190 6.045 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.976 3.419 5.898 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.119 4.452 5.008 1.00 0.00 H new ATOM 663 N LEU A 48 12.660 1.370 4.103 1.00 0.00 N ATOM 664 CA LEU A 48 12.843 0.115 4.824 1.00 0.00 C ATOM 665 C LEU A 48 13.952 0.240 5.864 1.00 0.00 C ATOM 666 O LEU A 48 15.133 0.053 5.572 1.00 0.00 O ATOM 667 CB LEU A 48 13.169 -1.016 3.846 1.00 0.00 C ATOM 668 CG LEU A 48 11.998 -1.913 3.444 1.00 0.00 C ATOM 669 CD1 LEU A 48 11.778 -1.861 1.940 1.00 0.00 C ATOM 670 CD2 LEU A 48 12.243 -3.344 3.900 1.00 0.00 C ATOM 0 H LEU A 48 13.516 1.756 3.706 1.00 0.00 H new ATOM 0 HA LEU A 48 11.912 -0.117 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.592 -0.577 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.944 -1.641 4.290 1.00 0.00 H new ATOM 0 HG LEU A 48 11.097 -1.545 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.941 -2.505 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.558 -0.837 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.678 -2.204 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.400 -3.969 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.154 -3.722 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.351 -3.367 4.984 1.00 0.00 H new ATOM 682 N PRO A 49 13.564 0.562 7.106 1.00 0.00 N ATOM 683 CA PRO A 49 14.511 0.716 8.216 1.00 0.00 C ATOM 684 C PRO A 49 15.123 -0.613 8.645 1.00 0.00 C ATOM 685 O PRO A 49 14.742 -1.673 8.146 1.00 0.00 O ATOM 686 CB PRO A 49 13.649 1.296 9.339 1.00 0.00 C ATOM 687 CG PRO A 49 12.264 0.844 9.026 1.00 0.00 C ATOM 688 CD PRO A 49 12.173 0.799 7.526 1.00 0.00 C ATOM 0 HA PRO A 49 15.360 1.344 7.944 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.973 0.933 10.314 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.714 2.384 9.366 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.066 -0.137 9.459 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.526 1.530 9.441 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.510 0.003 7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.784 1.732 7.119 1.00 0.00 H new ATOM 696 N VAL A 50 16.073 -0.550 9.573 1.00 0.00 N ATOM 697 CA VAL A 50 16.735 -1.750 10.070 1.00 0.00 C ATOM 698 C VAL A 50 17.188 -1.569 11.514 1.00 0.00 C ATOM 699 O VAL A 50 17.085 -0.478 12.075 1.00 0.00 O ATOM 700 CB VAL A 50 17.955 -2.117 9.204 1.00 0.00 C ATOM 701 CG1 VAL A 50 17.508 -2.695 7.870 1.00 0.00 C ATOM 702 CG2 VAL A 50 18.846 -0.902 8.997 1.00 0.00 C ATOM 0 H VAL A 50 16.401 0.319 9.995 1.00 0.00 H new ATOM 0 HA VAL A 50 16.005 -2.558 10.019 1.00 0.00 H new ATOM 0 HB VAL A 50 18.534 -2.878 9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.383 -2.948 7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.914 -3.593 8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.906 -1.959 7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.703 -1.180 8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.280 -0.117 8.496 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.195 -0.538 9.963 1.00 0.00 H new ATOM 803 N THR A 57 13.604 -4.454 10.215 1.00 0.00 N ATOM 804 CA THR A 57 12.785 -4.323 11.413 1.00 0.00 C ATOM 805 C THR A 57 11.336 -4.705 11.134 1.00 0.00 C ATOM 806 O THR A 57 10.415 -4.186 11.764 1.00 0.00 O ATOM 807 CB THR A 57 12.827 -2.886 11.967 1.00 0.00 C ATOM 808 OG1 THR A 57 12.441 -1.956 10.948 1.00 0.00 O ATOM 809 CG2 THR A 57 14.220 -2.542 12.473 1.00 0.00 C ATOM 0 HA THR A 57 13.201 -5.004 12.156 1.00 0.00 H new ATOM 0 HB THR A 57 12.128 -2.821 12.801 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.760 -2.273 10.077 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.225 -1.523 12.859 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.499 -3.233 13.268 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.935 -2.623 11.654 1.00 0.00 H new ATOM 817 N GLY A 58 11.142 -5.617 10.186 1.00 0.00 N ATOM 818 CA GLY A 58 9.801 -6.055 9.842 1.00 0.00 C ATOM 819 C GLY A 58 8.855 -4.894 9.609 1.00 0.00 C ATOM 820 O GLY A 58 7.636 -5.063 9.634 1.00 0.00 O ATOM 0 H GLY A 58 11.888 -6.060 9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.842 -6.672 8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.410 -6.683 10.643 1.00 0.00 H new ATOM 824 N GLU A 59 9.417 -3.710 9.383 1.00 0.00 N ATOM 825 CA GLU A 59 8.613 -2.516 9.147 1.00 0.00 C ATOM 826 C GLU A 59 9.041 -1.817 7.860 1.00 0.00 C ATOM 827 O GLU A 59 10.213 -1.845 7.487 1.00 0.00 O ATOM 828 CB GLU A 59 8.734 -1.552 10.328 1.00 0.00 C ATOM 829 CG GLU A 59 8.089 -2.067 11.604 1.00 0.00 C ATOM 830 CD GLU A 59 8.767 -1.541 12.854 1.00 0.00 C ATOM 831 OE1 GLU A 59 10.014 -1.556 12.905 1.00 0.00 O ATOM 832 OE2 GLU A 59 8.049 -1.115 13.783 1.00 0.00 O ATOM 0 H GLU A 59 10.424 -3.552 9.358 1.00 0.00 H new ATOM 0 HA GLU A 59 7.573 -2.824 9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.789 -1.355 10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.276 -0.601 10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.038 -1.779 11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.121 -3.157 11.609 1.00 0.00 H new ATOM 839 N ALA A 60 8.082 -1.192 7.185 1.00 0.00 N ATOM 840 CA ALA A 60 8.359 -0.485 5.941 1.00 0.00 C ATOM 841 C ALA A 60 7.287 0.560 5.654 1.00 0.00 C ATOM 842 O ALA A 60 6.171 0.478 6.169 1.00 0.00 O ATOM 843 CB ALA A 60 8.461 -1.471 4.787 1.00 0.00 C ATOM 0 H ALA A 60 7.106 -1.161 7.479 1.00 0.00 H new ATOM 0 HA ALA A 60 9.313 0.032 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.668 -0.930 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.268 -2.178 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.520 -2.013 4.687 1.00 0.00 H new ATOM 849 N PHE A 61 7.631 1.544 4.829 1.00 0.00 N ATOM 850 CA PHE A 61 6.699 2.606 4.475 1.00 0.00 C ATOM 851 C PHE A 61 6.658 2.813 2.963 1.00 0.00 C ATOM 852 O PHE A 61 7.690 3.035 2.328 1.00 0.00 O ATOM 853 CB PHE A 61 7.092 3.913 5.169 1.00 0.00 C ATOM 854 CG PHE A 61 6.997 3.847 6.667 1.00 0.00 C ATOM 855 CD1 PHE A 61 5.793 4.084 7.308 1.00 0.00 C ATOM 856 CD2 PHE A 61 8.113 3.550 7.432 1.00 0.00 C ATOM 857 CE1 PHE A 61 5.702 4.024 8.686 1.00 0.00 C ATOM 858 CE2 PHE A 61 8.028 3.489 8.810 1.00 0.00 C ATOM 859 CZ PHE A 61 6.820 3.727 9.438 1.00 0.00 C ATOM 0 H PHE A 61 8.550 1.627 4.393 1.00 0.00 H new ATOM 0 HA PHE A 61 5.706 2.309 4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.113 4.172 4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.449 4.715 4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.915 4.318 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.060 3.364 6.946 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.756 4.209 9.174 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.905 3.256 9.396 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.751 3.681 10.515 1.00 0.00 H new ATOM 869 N VAL A 62 5.460 2.738 2.393 1.00 0.00 N ATOM 870 CA VAL A 62 5.284 2.916 0.957 1.00 0.00 C ATOM 871 C VAL A 62 4.443 4.152 0.656 1.00 0.00 C ATOM 872 O VAL A 62 3.487 4.453 1.372 1.00 0.00 O ATOM 873 CB VAL A 62 4.615 1.686 0.316 1.00 0.00 C ATOM 874 CG1 VAL A 62 4.583 1.824 -1.199 1.00 0.00 C ATOM 875 CG2 VAL A 62 5.339 0.412 0.728 1.00 0.00 C ATOM 0 H VAL A 62 4.596 2.555 2.904 1.00 0.00 H new ATOM 0 HA VAL A 62 6.279 3.043 0.530 1.00 0.00 H new ATOM 0 HB VAL A 62 3.587 1.625 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.107 0.946 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.018 2.716 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.601 1.910 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.854 -0.448 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.377 0.462 0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.305 0.309 1.813 1.00 0.00 H new ATOM 885 N GLN A 63 4.804 4.863 -0.407 1.00 0.00 N ATOM 886 CA GLN A 63 4.082 6.067 -0.802 1.00 0.00 C ATOM 887 C GLN A 63 3.402 5.874 -2.153 1.00 0.00 C ATOM 888 O GLN A 63 4.060 5.843 -3.193 1.00 0.00 O ATOM 889 CB GLN A 63 5.036 7.262 -0.864 1.00 0.00 C ATOM 890 CG GLN A 63 4.334 8.587 -1.115 1.00 0.00 C ATOM 891 CD GLN A 63 5.278 9.771 -1.032 1.00 0.00 C ATOM 892 OE1 GLN A 63 6.381 9.665 -0.495 1.00 0.00 O ATOM 893 NE2 GLN A 63 4.849 10.909 -1.567 1.00 0.00 N ATOM 0 H GLN A 63 5.592 4.626 -1.010 1.00 0.00 H new ATOM 0 HA GLN A 63 3.314 6.263 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.588 7.325 0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.767 7.092 -1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.868 8.566 -2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.533 8.714 -0.387 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.928 10.952 -2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.441 11.739 -1.543 1.00 0.00 H new ATOM 902 N PHE A 64 2.079 5.745 -2.130 1.00 0.00 N ATOM 903 CA PHE A 64 1.309 5.553 -3.353 1.00 0.00 C ATOM 904 C PHE A 64 1.171 6.866 -4.120 1.00 0.00 C ATOM 905 O PHE A 64 1.274 7.947 -3.543 1.00 0.00 O ATOM 906 CB PHE A 64 -0.077 4.993 -3.026 1.00 0.00 C ATOM 907 CG PHE A 64 -0.079 3.513 -2.769 1.00 0.00 C ATOM 908 CD1 PHE A 64 0.057 2.614 -3.814 1.00 0.00 C ATOM 909 CD2 PHE A 64 -0.218 3.021 -1.480 1.00 0.00 C ATOM 910 CE1 PHE A 64 0.056 1.252 -3.580 1.00 0.00 C ATOM 911 CE2 PHE A 64 -0.219 1.660 -1.241 1.00 0.00 C ATOM 912 CZ PHE A 64 -0.083 0.774 -2.291 1.00 0.00 C ATOM 0 H PHE A 64 1.519 5.770 -1.278 1.00 0.00 H new ATOM 0 HA PHE A 64 1.843 4.839 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.470 5.507 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.753 5.211 -3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.165 2.982 -4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.327 3.709 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.164 0.562 -4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.326 1.289 -0.232 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.085 -0.290 -2.105 1.00 0.00 H new ATOM 922 N ALA A 65 0.937 6.761 -5.424 1.00 0.00 N ATOM 923 CA ALA A 65 0.785 7.937 -6.270 1.00 0.00 C ATOM 924 C ALA A 65 -0.232 8.909 -5.680 1.00 0.00 C ATOM 925 O ALA A 65 -0.156 10.117 -5.907 1.00 0.00 O ATOM 926 CB ALA A 65 0.371 7.527 -7.675 1.00 0.00 C ATOM 0 H ALA A 65 0.849 5.873 -5.917 1.00 0.00 H new ATOM 0 HA ALA A 65 1.748 8.445 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.261 8.416 -8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.134 6.877 -8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.579 6.994 -7.633 1.00 0.00 H new ATOM 932 N SER A 66 -1.184 8.374 -4.921 1.00 0.00 N ATOM 933 CA SER A 66 -2.219 9.193 -4.302 1.00 0.00 C ATOM 934 C SER A 66 -3.034 8.377 -3.304 1.00 0.00 C ATOM 935 O SER A 66 -2.972 7.148 -3.295 1.00 0.00 O ATOM 936 CB SER A 66 -3.142 9.781 -5.372 1.00 0.00 C ATOM 937 OG SER A 66 -3.781 10.957 -4.904 1.00 0.00 O ATOM 0 H SER A 66 -1.259 7.377 -4.720 1.00 0.00 H new ATOM 0 HA SER A 66 -1.731 10.007 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.566 10.009 -6.269 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.893 9.043 -5.655 1.00 0.00 H new ATOM 0 HG SER A 66 -4.753 10.837 -4.939 1.00 0.00 H new ATOM 943 N GLN A 67 -3.797 9.070 -2.465 1.00 0.00 N ATOM 944 CA GLN A 67 -4.624 8.410 -1.463 1.00 0.00 C ATOM 945 C GLN A 67 -5.572 7.408 -2.112 1.00 0.00 C ATOM 946 O GLN A 67 -5.750 6.297 -1.616 1.00 0.00 O ATOM 947 CB GLN A 67 -5.422 9.445 -0.668 1.00 0.00 C ATOM 948 CG GLN A 67 -5.136 9.419 0.825 1.00 0.00 C ATOM 949 CD GLN A 67 -6.358 9.063 1.648 1.00 0.00 C ATOM 950 OE1 GLN A 67 -6.827 9.861 2.460 1.00 0.00 O ATOM 951 NE2 GLN A 67 -6.882 7.861 1.442 1.00 0.00 N ATOM 0 H GLN A 67 -3.859 10.088 -2.460 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.965 7.870 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.198 10.439 -1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.486 9.272 -0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.344 8.697 1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.765 10.395 1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.461 7.231 0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.706 7.567 1.967 1.00 0.00 H new ATOM 960 N GLU A 68 -6.178 7.811 -3.225 1.00 0.00 N ATOM 961 CA GLU A 68 -7.109 6.948 -3.942 1.00 0.00 C ATOM 962 C GLU A 68 -6.494 5.574 -4.196 1.00 0.00 C ATOM 963 O GLU A 68 -7.192 4.561 -4.202 1.00 0.00 O ATOM 964 CB GLU A 68 -7.516 7.589 -5.270 1.00 0.00 C ATOM 965 CG GLU A 68 -6.335 7.976 -6.145 1.00 0.00 C ATOM 966 CD GLU A 68 -6.222 9.475 -6.343 1.00 0.00 C ATOM 967 OE1 GLU A 68 -6.425 10.219 -5.360 1.00 0.00 O ATOM 968 OE2 GLU A 68 -5.929 9.905 -7.478 1.00 0.00 O ATOM 0 H GLU A 68 -6.041 8.729 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.996 6.821 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.152 6.895 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.114 8.477 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.416 7.603 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.433 7.491 -7.116 1.00 0.00 H new ATOM 975 N ILE A 69 -5.181 5.550 -4.404 1.00 0.00 N ATOM 976 CA ILE A 69 -4.471 4.303 -4.657 1.00 0.00 C ATOM 977 C ILE A 69 -4.105 3.604 -3.353 1.00 0.00 C ATOM 978 O ILE A 69 -4.039 2.377 -3.291 1.00 0.00 O ATOM 979 CB ILE A 69 -3.189 4.542 -5.476 1.00 0.00 C ATOM 980 CG1 ILE A 69 -3.537 5.084 -6.864 1.00 0.00 C ATOM 981 CG2 ILE A 69 -2.387 3.254 -5.592 1.00 0.00 C ATOM 982 CD1 ILE A 69 -2.326 5.380 -7.719 1.00 0.00 C ATOM 0 H ILE A 69 -4.588 6.380 -4.402 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.145 3.667 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.579 5.283 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.168 4.360 -7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.124 5.996 -6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.484 3.439 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.112 2.905 -4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.989 2.494 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.649 5.760 -8.688 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.705 6.127 -7.224 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.749 4.466 -7.862 1.00 0.00 H new ATOM 994 N ALA A 70 -3.868 4.394 -2.310 1.00 0.00 N ATOM 995 CA ALA A 70 -3.512 3.852 -1.005 1.00 0.00 C ATOM 996 C ALA A 70 -4.628 2.970 -0.455 1.00 0.00 C ATOM 997 O ALA A 70 -4.376 1.873 0.043 1.00 0.00 O ATOM 998 CB ALA A 70 -3.199 4.979 -0.033 1.00 0.00 C ATOM 0 H ALA A 70 -3.916 5.412 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.622 3.234 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.935 4.559 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.364 5.567 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.074 5.620 0.075 1.00 0.00 H new ATOM 1004 N GLU A 71 -5.862 3.458 -0.547 1.00 0.00 N ATOM 1005 CA GLU A 71 -7.015 2.713 -0.056 1.00 0.00 C ATOM 1006 C GLU A 71 -7.117 1.353 -0.741 1.00 0.00 C ATOM 1007 O GLU A 71 -7.366 0.335 -0.095 1.00 0.00 O ATOM 1008 CB GLU A 71 -8.300 3.510 -0.286 1.00 0.00 C ATOM 1009 CG GLU A 71 -8.526 4.609 0.739 1.00 0.00 C ATOM 1010 CD GLU A 71 -9.983 4.748 1.134 1.00 0.00 C ATOM 1011 OE1 GLU A 71 -10.847 4.737 0.233 1.00 0.00 O ATOM 1012 OE2 GLU A 71 -10.260 4.868 2.347 1.00 0.00 O ATOM 0 H GLU A 71 -6.088 4.364 -0.956 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.882 2.552 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.269 3.954 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.149 2.827 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.931 4.399 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.171 5.557 0.334 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.924 1.345 -2.056 1.00 0.00 N ATOM 1020 CA LYS A 72 -6.994 0.112 -2.832 1.00 0.00 C ATOM 1021 C LYS A 72 -6.009 -0.923 -2.297 1.00 0.00 C ATOM 1022 O LYS A 72 -6.274 -2.125 -2.340 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.700 0.396 -4.307 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.639 1.416 -4.928 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.771 1.210 -6.428 1.00 0.00 C ATOM 1026 CE LYS A 72 -6.656 1.913 -7.188 1.00 0.00 C ATOM 1027 NZ LYS A 72 -7.020 2.152 -8.611 1.00 0.00 N ATOM 0 H LYS A 72 -6.718 2.179 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.003 -0.290 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.675 0.753 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.767 -0.536 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.621 1.340 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.269 2.422 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.750 0.144 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.736 1.588 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.432 2.864 -6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.749 1.310 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.234 2.633 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.209 1.242 -9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.871 2.748 -8.656 1.00 0.00 H new ATOM 1041 N ALA A 73 -4.875 -0.450 -1.793 1.00 0.00 N ATOM 1042 CA ALA A 73 -3.854 -1.335 -1.246 1.00 0.00 C ATOM 1043 C ALA A 73 -4.158 -1.696 0.204 1.00 0.00 C ATOM 1044 O ALA A 73 -3.760 -2.757 0.687 1.00 0.00 O ATOM 1045 CB ALA A 73 -2.481 -0.687 -1.354 1.00 0.00 C ATOM 0 H ALA A 73 -4.640 0.542 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.857 -2.256 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.728 -1.359 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.254 -0.487 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.476 0.250 -0.796 1.00 0.00 H new ATOM 1051 N LEU A 74 -4.865 -0.806 0.894 1.00 0.00 N ATOM 1052 CA LEU A 74 -5.223 -1.031 2.290 1.00 0.00 C ATOM 1053 C LEU A 74 -5.941 -2.366 2.460 1.00 0.00 C ATOM 1054 O LEU A 74 -5.689 -3.101 3.415 1.00 0.00 O ATOM 1055 CB LEU A 74 -6.110 0.106 2.799 1.00 0.00 C ATOM 1056 CG LEU A 74 -5.407 1.193 3.612 1.00 0.00 C ATOM 1057 CD1 LEU A 74 -6.366 2.333 3.921 1.00 0.00 C ATOM 1058 CD2 LEU A 74 -4.836 0.611 4.897 1.00 0.00 C ATOM 0 H LEU A 74 -5.201 0.077 0.509 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.304 -1.057 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.592 0.576 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.901 -0.324 3.413 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.583 1.589 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.848 3.097 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.728 2.767 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.210 1.952 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.339 1.398 5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.643 0.188 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.116 -0.171 4.654 1.00 0.00 H new ATOM 1070 N LYS A 75 -6.834 -2.675 1.526 1.00 0.00 N ATOM 1071 CA LYS A 75 -7.586 -3.923 1.570 1.00 0.00 C ATOM 1072 C LYS A 75 -6.647 -5.125 1.579 1.00 0.00 C ATOM 1073 O LYS A 75 -7.043 -6.233 1.940 1.00 0.00 O ATOM 1074 CB LYS A 75 -8.535 -4.013 0.373 1.00 0.00 C ATOM 1075 CG LYS A 75 -9.486 -2.834 0.261 1.00 0.00 C ATOM 1076 CD LYS A 75 -10.860 -3.170 0.817 1.00 0.00 C ATOM 1077 CE LYS A 75 -11.762 -1.945 0.849 1.00 0.00 C ATOM 1078 NZ LYS A 75 -13.063 -2.233 1.515 1.00 0.00 N ATOM 0 H LYS A 75 -7.055 -2.078 0.729 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.170 -3.934 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.947 -4.083 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.116 -4.932 0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.074 -1.981 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.578 -2.538 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.321 -3.947 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.758 -3.574 1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.256 -1.135 1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.943 -1.600 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.650 -1.374 1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.557 -2.989 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.892 -2.537 2.495 1.00 0.00 H new ATOM 1092 N LYS A 76 -5.400 -4.898 1.180 1.00 0.00 N ATOM 1093 CA LYS A 76 -4.402 -5.961 1.144 1.00 0.00 C ATOM 1094 C LYS A 76 -3.756 -6.147 2.513 1.00 0.00 C ATOM 1095 O LYS A 76 -2.572 -6.470 2.613 1.00 0.00 O ATOM 1096 CB LYS A 76 -3.328 -5.645 0.101 1.00 0.00 C ATOM 1097 CG LYS A 76 -3.889 -5.337 -1.277 1.00 0.00 C ATOM 1098 CD LYS A 76 -2.825 -4.769 -2.200 1.00 0.00 C ATOM 1099 CE LYS A 76 -1.910 -5.861 -2.733 1.00 0.00 C ATOM 1100 NZ LYS A 76 -2.030 -6.012 -4.210 1.00 0.00 N ATOM 0 H LYS A 76 -5.056 -3.987 0.877 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.905 -6.888 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.741 -4.793 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.647 -6.492 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.302 -6.246 -1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.710 -4.625 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.302 -4.253 -3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.234 -4.027 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.877 -5.628 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.154 -6.807 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.165 -6.451 -4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.848 -6.614 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.161 -5.076 -4.645 1.00 0.00 H new ATOM 1114 N HIS A 77 -4.543 -5.945 3.566 1.00 0.00 N ATOM 1115 CA HIS A 77 -4.047 -6.093 4.930 1.00 0.00 C ATOM 1116 C HIS A 77 -3.952 -7.566 5.316 1.00 0.00 C ATOM 1117 O HIS A 77 -4.724 -8.396 4.834 1.00 0.00 O ATOM 1118 CB HIS A 77 -4.959 -5.354 5.909 1.00 0.00 C ATOM 1119 CG HIS A 77 -4.783 -5.785 7.333 1.00 0.00 C ATOM 1120 ND1 HIS A 77 -3.981 -5.112 8.229 1.00 0.00 N ATOM 1121 CD2 HIS A 77 -5.314 -6.827 8.015 1.00 0.00 C ATOM 1122 CE1 HIS A 77 -4.024 -5.723 9.400 1.00 0.00 C ATOM 1123 NE2 HIS A 77 -4.826 -6.766 9.296 1.00 0.00 N ATOM 0 H HIS A 77 -5.525 -5.679 3.501 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.048 -5.658 4.977 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.766 -4.284 5.835 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.997 -5.512 5.616 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.439 -4.273 8.021 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -5.995 -7.568 7.624 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.493 -5.420 10.291 1.00 0.00 H new ATOM 1131 N LYS A 78 -3.001 -7.884 6.187 1.00 0.00 N ATOM 1132 CA LYS A 78 -2.804 -9.257 6.639 1.00 0.00 C ATOM 1133 C LYS A 78 -2.294 -10.136 5.503 1.00 0.00 C ATOM 1134 O LYS A 78 -2.109 -11.341 5.673 1.00 0.00 O ATOM 1135 CB LYS A 78 -4.114 -9.826 7.190 1.00 0.00 C ATOM 1136 CG LYS A 78 -4.142 -9.933 8.705 1.00 0.00 C ATOM 1137 CD LYS A 78 -3.071 -10.881 9.216 1.00 0.00 C ATOM 1138 CE LYS A 78 -3.251 -11.179 10.696 1.00 0.00 C ATOM 1139 NZ LYS A 78 -1.974 -11.597 11.337 1.00 0.00 N ATOM 0 H LYS A 78 -2.354 -7.209 6.595 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.056 -9.249 7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.940 -9.194 6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.280 -10.814 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.995 -8.946 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.123 -10.282 9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.107 -11.811 8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.087 -10.444 9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.638 -10.293 11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.994 -11.966 10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.139 -11.791 12.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.618 -12.457 10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.272 -10.836 11.241 1.00 0.00 H new ATOM 1153 N GLU A 79 -2.064 -9.525 4.345 1.00 0.00 N ATOM 1154 CA GLU A 79 -1.574 -10.253 3.180 1.00 0.00 C ATOM 1155 C GLU A 79 -0.157 -10.768 3.418 1.00 0.00 C ATOM 1156 O GLU A 79 0.788 -9.987 3.526 1.00 0.00 O ATOM 1157 CB GLU A 79 -1.601 -9.357 1.941 1.00 0.00 C ATOM 1158 CG GLU A 79 -3.003 -9.012 1.470 1.00 0.00 C ATOM 1159 CD GLU A 79 -3.821 -10.240 1.121 1.00 0.00 C ATOM 1160 OE1 GLU A 79 -4.322 -10.905 2.052 1.00 0.00 O ATOM 1161 OE2 GLU A 79 -3.958 -10.538 -0.085 1.00 0.00 O ATOM 0 H GLU A 79 -2.209 -8.528 4.188 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.231 -11.107 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.063 -8.435 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.067 -9.855 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.516 -8.448 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.939 -8.363 0.597 1.00 0.00 H new ATOM 1168 N ARG A 80 -0.019 -12.088 3.501 1.00 0.00 N ATOM 1169 CA ARG A 80 1.281 -12.707 3.729 1.00 0.00 C ATOM 1170 C ARG A 80 2.073 -12.802 2.428 1.00 0.00 C ATOM 1171 O ARG A 80 1.506 -13.045 1.361 1.00 0.00 O ATOM 1172 CB ARG A 80 1.106 -14.101 4.335 1.00 0.00 C ATOM 1173 CG ARG A 80 0.452 -15.098 3.391 1.00 0.00 C ATOM 1174 CD ARG A 80 1.486 -15.967 2.694 1.00 0.00 C ATOM 1175 NE ARG A 80 1.382 -15.882 1.240 1.00 0.00 N ATOM 1176 CZ ARG A 80 2.019 -16.699 0.409 1.00 0.00 C ATOM 1177 NH1 ARG A 80 2.802 -17.657 0.885 1.00 0.00 N ATOM 1178 NH2 ARG A 80 1.874 -16.559 -0.903 1.00 0.00 N ATOM 0 H ARG A 80 -0.791 -12.748 3.414 1.00 0.00 H new ATOM 0 HA ARG A 80 1.836 -12.081 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.082 -14.483 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.504 -14.022 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.239 -15.730 3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.137 -14.563 2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.485 -15.661 3.004 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.358 -17.003 3.007 1.00 0.00 H new ATOM 0 HE ARG A 80 0.788 -15.156 0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.917 -17.768 1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.290 -18.283 0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.273 -15.823 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.364 -17.187 -1.540 1.00 0.00 H new ATOM 1192 N ILE A 81 3.383 -12.609 2.524 1.00 0.00 N ATOM 1193 CA ILE A 81 4.253 -12.673 1.356 1.00 0.00 C ATOM 1194 C ILE A 81 5.214 -13.854 1.449 1.00 0.00 C ATOM 1195 O ILE A 81 6.327 -13.723 1.955 1.00 0.00 O ATOM 1196 CB ILE A 81 5.067 -11.376 1.188 1.00 0.00 C ATOM 1197 CG1 ILE A 81 4.133 -10.194 0.916 1.00 0.00 C ATOM 1198 CG2 ILE A 81 6.078 -11.528 0.061 1.00 0.00 C ATOM 1199 CD1 ILE A 81 4.799 -8.847 1.085 1.00 0.00 C ATOM 0 H ILE A 81 3.866 -12.407 3.399 1.00 0.00 H new ATOM 0 HA ILE A 81 3.606 -12.802 0.488 1.00 0.00 H new ATOM 0 HB ILE A 81 5.609 -11.182 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.745 -10.274 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.278 -10.255 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.646 -10.604 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.759 -12.347 0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.555 -11.742 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.078 -8.056 0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.162 -8.747 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.637 -8.766 0.393 1.00 0.00 H new ATOM 1211 N GLY A 82 4.774 -15.007 0.955 1.00 0.00 N ATOM 1212 CA GLY A 82 5.607 -16.195 0.991 1.00 0.00 C ATOM 1213 C GLY A 82 5.313 -17.074 2.190 1.00 0.00 C ATOM 1214 O GLY A 82 5.039 -18.266 2.042 1.00 0.00 O ATOM 0 H GLY A 82 3.856 -15.140 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.455 -16.770 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.656 -15.899 1.010 1.00 0.00 H new ATOM 1218 N HIS A 83 5.369 -16.487 3.381 1.00 0.00 N ATOM 1219 CA HIS A 83 5.106 -17.226 4.611 1.00 0.00 C ATOM 1220 C HIS A 83 5.173 -16.302 5.824 1.00 0.00 C ATOM 1221 O HIS A 83 5.767 -16.646 6.845 1.00 0.00 O ATOM 1222 CB HIS A 83 6.111 -18.367 4.769 1.00 0.00 C ATOM 1223 CG HIS A 83 7.434 -17.929 5.319 1.00 0.00 C ATOM 1224 ND1 HIS A 83 8.154 -16.876 4.797 1.00 0.00 N ATOM 1225 CD2 HIS A 83 8.165 -18.406 6.354 1.00 0.00 C ATOM 1226 CE1 HIS A 83 9.272 -16.726 5.486 1.00 0.00 C ATOM 1227 NE2 HIS A 83 9.302 -17.643 6.436 1.00 0.00 N ATOM 0 H HIS A 83 5.594 -15.502 3.521 1.00 0.00 H new ATOM 0 HA HIS A 83 4.101 -17.643 4.548 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.687 -19.125 5.427 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.268 -18.838 3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.902 -19.234 6.996 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.032 -15.980 5.303 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.049 -17.764 7.120 1.00 0.00 H new ATOM 1235 N ARG A 84 4.559 -15.130 5.703 1.00 0.00 N ATOM 1236 CA ARG A 84 4.549 -14.157 6.788 1.00 0.00 C ATOM 1237 C ARG A 84 3.482 -13.091 6.553 1.00 0.00 C ATOM 1238 O ARG A 84 3.626 -12.236 5.680 1.00 0.00 O ATOM 1239 CB ARG A 84 5.923 -13.497 6.922 1.00 0.00 C ATOM 1240 CG ARG A 84 6.705 -13.960 8.141 1.00 0.00 C ATOM 1241 CD ARG A 84 6.439 -13.070 9.345 1.00 0.00 C ATOM 1242 NE ARG A 84 7.366 -13.340 10.440 1.00 0.00 N ATOM 1243 CZ ARG A 84 7.480 -12.566 11.514 1.00 0.00 C ATOM 1244 NH1 ARG A 84 6.728 -11.481 11.636 1.00 0.00 N ATOM 1245 NH2 ARG A 84 8.347 -12.879 12.470 1.00 0.00 N ATOM 0 H ARG A 84 4.062 -14.831 4.864 1.00 0.00 H new ATOM 0 HA ARG A 84 4.314 -14.684 7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.506 -13.707 6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.794 -12.416 6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.433 -14.988 8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.771 -13.957 7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.523 -12.024 9.049 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.416 -13.223 9.690 1.00 0.00 H new ATOM 0 HE ARG A 84 7.958 -14.168 10.377 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.060 -11.239 10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.818 -10.889 12.462 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.926 -13.714 12.380 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.434 -12.284 13.294 1.00 0.00 H new ATOM 1259 N TYR A 85 2.413 -13.149 7.340 1.00 0.00 N ATOM 1260 CA TYR A 85 1.321 -12.191 7.216 1.00 0.00 C ATOM 1261 C TYR A 85 1.834 -10.761 7.344 1.00 0.00 C ATOM 1262 O TYR A 85 2.696 -10.471 8.175 1.00 0.00 O ATOM 1263 CB TYR A 85 0.255 -12.461 8.280 1.00 0.00 C ATOM 1264 CG TYR A 85 -0.403 -13.816 8.148 1.00 0.00 C ATOM 1265 CD1 TYR A 85 -1.271 -14.090 7.099 1.00 0.00 C ATOM 1266 CD2 TYR A 85 -0.157 -14.822 9.075 1.00 0.00 C ATOM 1267 CE1 TYR A 85 -1.874 -15.326 6.975 1.00 0.00 C ATOM 1268 CE2 TYR A 85 -0.755 -16.062 8.958 1.00 0.00 C ATOM 1269 CZ TYR A 85 -1.613 -16.309 7.907 1.00 0.00 C ATOM 1270 OH TYR A 85 -2.212 -17.541 7.788 1.00 0.00 O ATOM 0 H TYR A 85 2.280 -13.849 8.070 1.00 0.00 H new ATOM 0 HA TYR A 85 0.877 -12.310 6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.711 -12.382 9.267 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.510 -11.687 8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.478 -13.323 6.367 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.513 -14.631 9.900 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.546 -15.522 6.153 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.552 -16.834 9.686 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.921 -18.119 8.524 1.00 0.00 H new ATOM 1280 N ILE A 86 1.297 -9.870 6.516 1.00 0.00 N ATOM 1281 CA ILE A 86 1.699 -8.469 6.538 1.00 0.00 C ATOM 1282 C ILE A 86 0.564 -7.579 7.034 1.00 0.00 C ATOM 1283 O ILE A 86 -0.582 -7.726 6.611 1.00 0.00 O ATOM 1284 CB ILE A 86 2.140 -7.988 5.143 1.00 0.00 C ATOM 1285 CG1 ILE A 86 3.031 -9.038 4.477 1.00 0.00 C ATOM 1286 CG2 ILE A 86 2.869 -6.657 5.247 1.00 0.00 C ATOM 1287 CD1 ILE A 86 4.491 -8.923 4.858 1.00 0.00 C ATOM 0 H ILE A 86 0.583 -10.094 5.822 1.00 0.00 H new ATOM 0 HA ILE A 86 2.543 -8.394 7.223 1.00 0.00 H new ATOM 0 HB ILE A 86 1.252 -7.846 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.671 -10.031 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.938 -8.947 3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.174 -6.331 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.205 -5.912 5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.751 -6.773 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.062 -9.699 4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.868 -7.943 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.596 -9.044 5.936 1.00 0.00 H new ATOM 1299 N GLU A 87 0.893 -6.657 7.933 1.00 0.00 N ATOM 1300 CA GLU A 87 -0.100 -5.743 8.486 1.00 0.00 C ATOM 1301 C GLU A 87 0.075 -4.339 7.914 1.00 0.00 C ATOM 1302 O GLU A 87 1.066 -3.662 8.195 1.00 0.00 O ATOM 1303 CB GLU A 87 0.006 -5.701 10.012 1.00 0.00 C ATOM 1304 CG GLU A 87 -0.556 -6.936 10.695 1.00 0.00 C ATOM 1305 CD GLU A 87 -0.541 -6.824 12.207 1.00 0.00 C ATOM 1306 OE1 GLU A 87 -1.286 -5.981 12.747 1.00 0.00 O ATOM 1307 OE2 GLU A 87 0.217 -7.579 12.850 1.00 0.00 O ATOM 0 H GLU A 87 1.838 -6.523 8.294 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.088 -6.110 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.053 -5.586 10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.521 -4.821 10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.579 -7.100 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.023 -7.809 10.393 1.00 0.00 H new ATOM 1314 N ILE A 88 -0.892 -3.908 7.111 1.00 0.00 N ATOM 1315 CA ILE A 88 -0.845 -2.585 6.500 1.00 0.00 C ATOM 1316 C ILE A 88 -1.699 -1.590 7.279 1.00 0.00 C ATOM 1317 O ILE A 88 -2.841 -1.881 7.636 1.00 0.00 O ATOM 1318 CB ILE A 88 -1.325 -2.623 5.038 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -0.427 -3.542 4.207 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -1.345 -1.219 4.450 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.180 -4.347 3.171 1.00 0.00 C ATOM 0 H ILE A 88 -1.718 -4.456 6.868 1.00 0.00 H new ATOM 0 HA ILE A 88 0.196 -2.263 6.523 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.340 -3.020 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.331 -2.940 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.098 -4.225 4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.687 -1.262 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.022 -0.591 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.341 -0.796 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.481 -4.975 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.920 -4.976 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.683 -3.671 2.480 1.00 0.00 H new ATOM 1333 N PHE A 89 -1.139 -0.413 7.537 1.00 0.00 N ATOM 1334 CA PHE A 89 -1.850 0.626 8.272 1.00 0.00 C ATOM 1335 C PHE A 89 -1.582 2.001 7.666 1.00 0.00 C ATOM 1336 O PHE A 89 -0.450 2.485 7.668 1.00 0.00 O ATOM 1337 CB PHE A 89 -1.431 0.616 9.744 1.00 0.00 C ATOM 1338 CG PHE A 89 -1.750 -0.671 10.449 1.00 0.00 C ATOM 1339 CD1 PHE A 89 -3.065 -1.060 10.648 1.00 0.00 C ATOM 1340 CD2 PHE A 89 -0.735 -1.492 10.913 1.00 0.00 C ATOM 1341 CE1 PHE A 89 -3.361 -2.244 11.298 1.00 0.00 C ATOM 1342 CE2 PHE A 89 -1.025 -2.678 11.563 1.00 0.00 C ATOM 1343 CZ PHE A 89 -2.340 -3.054 11.753 1.00 0.00 C ATOM 0 H PHE A 89 -0.195 -0.155 7.248 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.918 0.419 8.203 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.359 0.801 9.810 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.928 1.437 10.261 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.868 -0.431 10.291 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.295 -1.202 10.765 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.390 -2.535 11.450 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.225 -3.309 11.921 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.570 -3.981 12.257 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.634 2.625 7.145 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.515 3.944 6.535 1.00 0.00 C ATOM 1355 C LYS A 90 -1.561 4.829 7.330 1.00 0.00 C ATOM 1356 O LYS A 90 -1.639 4.897 8.557 1.00 0.00 O ATOM 1357 CB LYS A 90 -3.890 4.612 6.445 1.00 0.00 C ATOM 1358 CG LYS A 90 -4.196 5.188 5.073 1.00 0.00 C ATOM 1359 CD LYS A 90 -3.295 6.367 4.748 1.00 0.00 C ATOM 1360 CE LYS A 90 -3.769 7.105 3.505 1.00 0.00 C ATOM 1361 NZ LYS A 90 -3.992 8.553 3.771 1.00 0.00 N ATOM 0 H LYS A 90 -3.578 2.238 7.133 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.111 3.816 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.657 3.882 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.947 5.409 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.070 4.414 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.238 5.504 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.273 7.054 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.274 6.015 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.031 6.991 2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.695 6.655 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.653 9.111 2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.008 8.728 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.472 8.833 4.627 1.00 0.00 H new ATOM 1375 N SER A 91 -0.660 5.505 6.624 1.00 0.00 N ATOM 1376 CA SER A 91 0.311 6.384 7.266 1.00 0.00 C ATOM 1377 C SER A 91 0.426 7.706 6.514 1.00 0.00 C ATOM 1378 O SER A 91 -0.336 7.974 5.585 1.00 0.00 O ATOM 1379 CB SER A 91 1.679 5.702 7.334 1.00 0.00 C ATOM 1380 OG SER A 91 2.573 6.435 8.153 1.00 0.00 O ATOM 0 H SER A 91 -0.582 5.461 5.608 1.00 0.00 H new ATOM 0 HA SER A 91 -0.035 6.591 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.566 4.692 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.093 5.609 6.330 1.00 0.00 H new ATOM 0 HG SER A 91 3.277 6.830 7.597 1.00 0.00 H new ATOM 1386 N SER A 92 1.386 8.530 6.922 1.00 0.00 N ATOM 1387 CA SER A 92 1.600 9.827 6.292 1.00 0.00 C ATOM 1388 C SER A 92 3.088 10.090 6.080 1.00 0.00 C ATOM 1389 O SER A 92 3.937 9.419 6.668 1.00 0.00 O ATOM 1390 CB SER A 92 0.991 10.940 7.146 1.00 0.00 C ATOM 1391 OG SER A 92 0.460 11.973 6.334 1.00 0.00 O ATOM 0 H SER A 92 2.028 8.322 7.687 1.00 0.00 H new ATOM 0 HA SER A 92 1.109 9.815 5.319 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.204 10.529 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.751 11.350 7.811 1.00 0.00 H new ATOM 0 HG SER A 92 0.075 12.672 6.903 1.00 0.00 H new ATOM 1397 N ARG A 93 3.396 11.068 5.236 1.00 0.00 N ATOM 1398 CA ARG A 93 4.781 11.420 4.945 1.00 0.00 C ATOM 1399 C ARG A 93 5.522 11.812 6.220 1.00 0.00 C ATOM 1400 O ARG A 93 6.636 11.352 6.468 1.00 0.00 O ATOM 1401 CB ARG A 93 4.837 12.569 3.936 1.00 0.00 C ATOM 1402 CG ARG A 93 6.204 13.226 3.838 1.00 0.00 C ATOM 1403 CD ARG A 93 6.760 13.145 2.425 1.00 0.00 C ATOM 1404 NE ARG A 93 8.078 13.765 2.319 1.00 0.00 N ATOM 1405 CZ ARG A 93 8.271 15.078 2.283 1.00 0.00 C ATOM 1406 NH1 ARG A 93 7.237 15.906 2.344 1.00 0.00 N ATOM 1407 NH2 ARG A 93 9.500 15.568 2.185 1.00 0.00 N ATOM 0 H ARG A 93 2.705 11.632 4.741 1.00 0.00 H new ATOM 0 HA ARG A 93 5.269 10.545 4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.553 12.193 2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.100 13.322 4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.130 14.270 4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.893 12.741 4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.825 12.100 2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.072 13.635 1.736 1.00 0.00 H new ATOM 0 HE ARG A 93 8.895 13.156 2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.290 15.535 2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.389 16.914 2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.299 14.936 2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.646 16.577 2.157 1.00 0.00 H new