USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 463 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 THR OG1 : rot -120:sc= -0.868 USER MOD Set 1.2: A 70 SER OG : rot 104:sc= 1.2 USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 15 MET CE :methyl 137:sc= -1.12 (180deg=-4!) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.501 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 146:sc= -3.95! (180deg=-6.51!) USER MOD Single : A 36 GLN : amide:sc= -0.0646 K(o=-0.065,f=-1.5) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.611 K(o=-0.61,f=-11!) USER MOD Single : A 42 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.7!) USER MOD Single : A 44 SER OG : rot -67:sc= -2.17! USER MOD Single : A 46 CYS SG : rot -39:sc= -0.662 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 49:sc= -1.02 USER MOD Single : A 63 MET CE :methyl 179:sc= 0 (180deg=-0.00202) USER MOD Single : A 72 GLN : amide:sc=-0.00205 K(o=-0.002,f=-0.51) USER MOD Single : A 73 SER OG : rot 90:sc= 1.24 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.066 -9.089 8.595 1.00 0.00 N ATOM 186 CA MET A 15 7.877 -7.905 8.821 1.00 0.00 C ATOM 187 C MET A 15 7.105 -6.634 8.462 1.00 0.00 C ATOM 188 O MET A 15 6.084 -6.696 7.779 1.00 0.00 O ATOM 189 CB MET A 15 9.148 -7.988 7.974 1.00 0.00 C ATOM 190 CG MET A 15 8.809 -8.140 6.490 1.00 0.00 C ATOM 191 SD MET A 15 10.006 -7.266 5.496 1.00 0.00 S ATOM 192 CE MET A 15 9.450 -5.588 5.746 1.00 0.00 C ATOM 0 HA MET A 15 8.137 -7.862 9.879 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.748 -7.090 8.123 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.753 -8.834 8.301 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.799 -9.195 6.217 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.809 -7.751 6.295 1.00 0.00 H new ATOM 0 HE1 MET A 15 10.311 -4.940 5.911 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.905 -5.250 4.865 1.00 0.00 H new ATOM 0 HE3 MET A 15 8.794 -5.548 6.616 1.00 0.00 H new ATOM 202 N THR A 16 7.623 -5.511 8.937 1.00 0.00 N ATOM 203 CA THR A 16 6.995 -4.227 8.674 1.00 0.00 C ATOM 204 C THR A 16 7.961 -3.304 7.930 1.00 0.00 C ATOM 205 O THR A 16 9.134 -3.208 8.287 1.00 0.00 O ATOM 206 CB THR A 16 6.514 -3.655 10.009 1.00 0.00 C ATOM 207 OG1 THR A 16 5.387 -4.459 10.345 1.00 0.00 O ATOM 208 CG2 THR A 16 5.937 -2.245 9.867 1.00 0.00 C ATOM 0 H THR A 16 8.471 -5.463 9.503 1.00 0.00 H new ATOM 0 HA THR A 16 6.130 -4.335 8.020 1.00 0.00 H new ATOM 0 HB THR A 16 7.343 -3.639 10.717 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.013 -4.158 11.199 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.610 -1.886 10.843 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.702 -1.577 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.087 -2.267 9.185 1.00 0.00 H new ATOM 216 N GLU A 17 7.432 -2.647 6.908 1.00 0.00 N ATOM 217 CA GLU A 17 8.233 -1.734 6.110 1.00 0.00 C ATOM 218 C GLU A 17 7.592 -0.345 6.090 1.00 0.00 C ATOM 219 O GLU A 17 6.449 -0.178 6.512 1.00 0.00 O ATOM 220 CB GLU A 17 8.425 -2.270 4.690 1.00 0.00 C ATOM 221 CG GLU A 17 9.910 -2.411 4.353 1.00 0.00 C ATOM 222 CD GLU A 17 10.112 -3.307 3.128 1.00 0.00 C ATOM 223 OE1 GLU A 17 9.755 -2.845 2.023 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.619 -4.432 3.326 1.00 0.00 O ATOM 0 H GLU A 17 6.459 -2.729 6.614 1.00 0.00 H new ATOM 0 HA GLU A 17 9.219 -1.651 6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.933 -3.238 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.949 -1.598 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.338 -1.427 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.442 -2.831 5.207 1.00 0.00 H new ATOM 231 N GLU A 18 8.357 0.617 5.594 1.00 0.00 N ATOM 232 CA GLU A 18 7.878 1.987 5.513 1.00 0.00 C ATOM 233 C GLU A 18 7.994 2.506 4.078 1.00 0.00 C ATOM 234 O GLU A 18 9.074 2.902 3.643 1.00 0.00 O ATOM 235 CB GLU A 18 8.636 2.891 6.486 1.00 0.00 C ATOM 236 CG GLU A 18 8.204 4.351 6.329 1.00 0.00 C ATOM 237 CD GLU A 18 8.392 5.122 7.637 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.732 4.733 8.624 1.00 0.00 O ATOM 239 OE2 GLU A 18 9.191 6.083 7.619 1.00 0.00 O ATOM 0 H GLU A 18 9.305 0.475 5.244 1.00 0.00 H new ATOM 0 HA GLU A 18 6.826 2.001 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.455 2.563 7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.708 2.804 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.786 4.823 5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.158 4.394 6.024 1.00 0.00 H new ATOM 246 N TYR A 19 6.867 2.486 3.383 1.00 0.00 N ATOM 247 CA TYR A 19 6.828 2.950 2.006 1.00 0.00 C ATOM 248 C TYR A 19 6.090 4.285 1.898 1.00 0.00 C ATOM 249 O TYR A 19 5.007 4.447 2.459 1.00 0.00 O ATOM 250 CB TYR A 19 6.054 1.887 1.225 1.00 0.00 C ATOM 251 CG TYR A 19 6.183 2.014 -0.295 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.406 1.811 -0.902 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.077 2.330 -1.057 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.528 1.931 -2.332 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.199 2.450 -2.487 1.00 0.00 C ATOM 256 CZ TYR A 19 6.418 2.244 -3.054 1.00 0.00 C ATOM 257 OH TYR A 19 6.533 2.357 -4.404 1.00 0.00 O ATOM 0 H TYR A 19 5.973 2.156 3.747 1.00 0.00 H new ATOM 0 HA TYR A 19 7.837 3.098 1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.405 0.901 1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.000 1.947 1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.271 1.562 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.120 2.487 -0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.479 1.776 -2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.342 2.698 -3.095 1.00 0.00 H new ATOM 0 HH TYR A 19 7.244 1.762 -4.723 1.00 0.00 H new ATOM 267 N LYS A 20 6.704 5.207 1.172 1.00 0.00 N ATOM 268 CA LYS A 20 6.118 6.524 0.982 1.00 0.00 C ATOM 269 C LYS A 20 5.545 6.623 -0.433 1.00 0.00 C ATOM 270 O LYS A 20 6.100 6.055 -1.372 1.00 0.00 O ATOM 271 CB LYS A 20 7.137 7.616 1.312 1.00 0.00 C ATOM 272 CG LYS A 20 7.212 7.859 2.820 1.00 0.00 C ATOM 273 CD LYS A 20 7.202 9.356 3.136 1.00 0.00 C ATOM 274 CE LYS A 20 8.116 9.674 4.321 1.00 0.00 C ATOM 275 NZ LYS A 20 7.732 10.960 4.942 1.00 0.00 N ATOM 0 H LYS A 20 7.602 5.069 0.708 1.00 0.00 H new ATOM 0 HA LYS A 20 5.289 6.676 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.119 7.327 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.862 8.540 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.369 7.374 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.119 7.405 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.527 9.918 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.185 9.677 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.055 8.875 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.152 9.720 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.363 11.160 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.813 11.723 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.750 10.903 5.279 1.00 0.00 H new ATOM 289 N VAL A 21 4.442 7.350 -0.541 1.00 0.00 N ATOM 290 CA VAL A 21 3.788 7.531 -1.825 1.00 0.00 C ATOM 291 C VAL A 21 3.300 8.976 -1.945 1.00 0.00 C ATOM 292 O VAL A 21 3.169 9.676 -0.941 1.00 0.00 O ATOM 293 CB VAL A 21 2.665 6.505 -1.990 1.00 0.00 C ATOM 294 CG1 VAL A 21 3.217 5.160 -2.466 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.874 6.344 -0.691 1.00 0.00 C ATOM 0 H VAL A 21 3.985 7.820 0.240 1.00 0.00 H new ATOM 0 HA VAL A 21 4.491 7.357 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 21 1.982 6.876 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.398 4.449 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.715 5.291 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.932 4.781 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.082 5.609 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.541 6.007 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.434 7.301 -0.412 1.00 0.00 H new ATOM 305 N PRO A 22 3.037 9.391 -3.213 1.00 0.00 N ATOM 306 CA PRO A 22 2.566 10.740 -3.476 1.00 0.00 C ATOM 307 C PRO A 22 1.095 10.894 -3.084 1.00 0.00 C ATOM 308 O PRO A 22 0.224 10.244 -3.661 1.00 0.00 O ATOM 309 CB PRO A 22 2.811 10.960 -4.960 1.00 0.00 C ATOM 310 CG PRO A 22 2.977 9.575 -5.565 1.00 0.00 C ATOM 311 CD PRO A 22 3.181 8.590 -4.425 1.00 0.00 C ATOM 0 HA PRO A 22 3.089 11.491 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.976 11.489 -5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.702 11.567 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.097 9.306 -6.149 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.829 9.555 -6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.445 7.787 -4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.164 8.123 -4.476 1.00 0.00 H new ATOM 319 N ASP A 23 0.864 11.757 -2.106 1.00 0.00 N ATOM 320 CA ASP A 23 -0.487 12.004 -1.630 1.00 0.00 C ATOM 321 C ASP A 23 -1.386 12.352 -2.818 1.00 0.00 C ATOM 322 O ASP A 23 -2.606 12.215 -2.739 1.00 0.00 O ATOM 323 CB ASP A 23 -0.520 13.180 -0.652 1.00 0.00 C ATOM 324 CG ASP A 23 -1.919 13.690 -0.302 1.00 0.00 C ATOM 325 OD1 ASP A 23 -2.675 12.902 0.307 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.201 14.857 -0.650 1.00 0.00 O ATOM 0 H ASP A 23 1.589 12.294 -1.630 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.836 11.104 -1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.017 12.882 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.055 14.003 -1.077 1.00 0.00 H new ATOM 331 N GLY A 24 -0.749 12.795 -3.892 1.00 0.00 N ATOM 332 CA GLY A 24 -1.475 13.164 -5.095 1.00 0.00 C ATOM 333 C GLY A 24 -1.863 11.924 -5.902 1.00 0.00 C ATOM 334 O GLY A 24 -2.416 12.038 -6.996 1.00 0.00 O ATOM 0 H GLY A 24 0.263 12.907 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.371 13.723 -4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.860 13.823 -5.708 1.00 0.00 H new ATOM 338 N MET A 25 -1.559 10.766 -5.333 1.00 0.00 N ATOM 339 CA MET A 25 -1.869 9.506 -5.987 1.00 0.00 C ATOM 340 C MET A 25 -2.571 8.547 -5.023 1.00 0.00 C ATOM 341 O MET A 25 -3.564 7.916 -5.384 1.00 0.00 O ATOM 342 CB MET A 25 -0.577 8.864 -6.496 1.00 0.00 C ATOM 343 CG MET A 25 0.068 9.719 -7.588 1.00 0.00 C ATOM 344 SD MET A 25 -1.069 9.933 -8.947 1.00 0.00 S ATOM 345 CE MET A 25 -1.021 8.295 -9.652 1.00 0.00 C ATOM 0 H MET A 25 -1.101 10.674 -4.426 1.00 0.00 H new ATOM 0 HA MET A 25 -2.539 9.706 -6.823 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.121 8.738 -5.668 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.791 7.869 -6.887 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.349 10.691 -7.182 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.983 9.244 -7.940 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.002 8.044 -10.056 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.281 8.265 -10.452 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.751 7.574 -8.880 1.00 0.00 H new ATOM 355 N VAL A 26 -2.029 8.468 -3.817 1.00 0.00 N ATOM 356 CA VAL A 26 -2.591 7.597 -2.799 1.00 0.00 C ATOM 357 C VAL A 26 -4.117 7.707 -2.827 1.00 0.00 C ATOM 358 O VAL A 26 -4.815 6.696 -2.898 1.00 0.00 O ATOM 359 CB VAL A 26 -1.992 7.934 -1.433 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.560 9.249 -0.894 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.216 6.792 -0.439 1.00 0.00 C ATOM 0 H VAL A 26 -1.206 8.993 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.336 6.557 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.917 8.061 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.117 9.465 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.326 10.057 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.641 9.162 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.780 7.057 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.285 6.619 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.742 5.885 -0.814 1.00 0.00 H new ATOM 371 N GLY A 27 -4.591 8.943 -2.768 1.00 0.00 N ATOM 372 CA GLY A 27 -6.021 9.198 -2.786 1.00 0.00 C ATOM 373 C GLY A 27 -6.710 8.382 -3.881 1.00 0.00 C ATOM 374 O GLY A 27 -7.843 7.935 -3.707 1.00 0.00 O ATOM 0 H GLY A 27 -4.010 9.779 -2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.451 8.948 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.202 10.260 -2.950 1.00 0.00 H new ATOM 378 N PHE A 28 -5.998 8.212 -4.985 1.00 0.00 N ATOM 379 CA PHE A 28 -6.527 7.458 -6.109 1.00 0.00 C ATOM 380 C PHE A 28 -6.215 5.967 -5.964 1.00 0.00 C ATOM 381 O PHE A 28 -6.923 5.125 -6.514 1.00 0.00 O ATOM 382 CB PHE A 28 -5.841 7.991 -7.368 1.00 0.00 C ATOM 383 CG PHE A 28 -5.737 6.967 -8.501 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.812 6.199 -8.823 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.571 6.826 -9.186 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.716 5.249 -9.874 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.475 5.877 -10.237 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.550 5.108 -10.559 1.00 0.00 C ATOM 0 H PHE A 28 -5.059 8.584 -5.125 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.610 7.572 -6.157 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.390 8.861 -7.728 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.839 8.332 -7.107 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.738 6.312 -8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.718 7.436 -8.930 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.569 4.638 -10.129 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.549 5.765 -10.781 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.477 4.386 -11.359 1.00 0.00 H new ATOM 398 N ILE A 29 -5.154 5.687 -5.221 1.00 0.00 N ATOM 399 CA ILE A 29 -4.739 4.312 -4.997 1.00 0.00 C ATOM 400 C ILE A 29 -5.836 3.572 -4.229 1.00 0.00 C ATOM 401 O ILE A 29 -5.970 2.355 -4.350 1.00 0.00 O ATOM 402 CB ILE A 29 -3.372 4.270 -4.312 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.310 4.967 -5.163 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.977 2.833 -3.965 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.903 4.647 -4.655 1.00 0.00 C ATOM 0 H ILE A 29 -4.569 6.389 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.609 3.793 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.443 4.820 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.406 4.651 -6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.472 6.045 -5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.001 2.831 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.719 2.404 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.929 2.238 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.167 5.155 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.802 4.987 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.736 3.571 -4.700 1.00 0.00 H new ATOM 417 N ILE A 30 -6.592 4.337 -3.455 1.00 0.00 N ATOM 418 CA ILE A 30 -7.672 3.769 -2.667 1.00 0.00 C ATOM 419 C ILE A 30 -8.700 3.131 -3.604 1.00 0.00 C ATOM 420 O ILE A 30 -8.940 1.926 -3.538 1.00 0.00 O ATOM 421 CB ILE A 30 -8.265 4.825 -1.732 1.00 0.00 C ATOM 422 CG1 ILE A 30 -7.171 5.501 -0.904 1.00 0.00 C ATOM 423 CG2 ILE A 30 -9.361 4.223 -0.850 1.00 0.00 C ATOM 424 CD1 ILE A 30 -7.505 6.973 -0.652 1.00 0.00 C ATOM 0 H ILE A 30 -6.478 5.346 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.296 2.977 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.731 5.598 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.057 4.982 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.216 5.425 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.766 4.995 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.158 3.827 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.941 3.418 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.711 7.430 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.594 7.494 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.448 7.044 -0.110 1.00 0.00 H new ATOM 436 N GLY A 31 -9.278 3.966 -4.454 1.00 0.00 N ATOM 437 CA GLY A 31 -10.274 3.498 -5.403 1.00 0.00 C ATOM 438 C GLY A 31 -11.686 3.855 -4.936 1.00 0.00 C ATOM 439 O GLY A 31 -11.866 4.388 -3.842 1.00 0.00 O ATOM 0 H GLY A 31 -9.076 4.964 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.087 3.942 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.189 2.418 -5.522 1.00 0.00 H new ATOM 481 N GLU A 35 -11.280 -0.149 -3.272 1.00 0.00 N ATOM 482 CA GLU A 35 -11.137 -1.436 -3.930 1.00 0.00 C ATOM 483 C GLU A 35 -9.852 -1.468 -4.760 1.00 0.00 C ATOM 484 O GLU A 35 -9.296 -2.537 -5.010 1.00 0.00 O ATOM 485 CB GLU A 35 -12.358 -1.748 -4.798 1.00 0.00 C ATOM 486 CG GLU A 35 -12.352 -0.905 -6.075 1.00 0.00 C ATOM 487 CD GLU A 35 -11.935 -1.745 -7.284 1.00 0.00 C ATOM 488 OE1 GLU A 35 -10.731 -2.074 -7.359 1.00 0.00 O ATOM 489 OE2 GLU A 35 -12.829 -2.038 -8.107 1.00 0.00 O ATOM 0 HA GLU A 35 -11.071 -2.208 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.364 -2.807 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.270 -1.553 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.344 -0.486 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.667 -0.065 -5.957 1.00 0.00 H new ATOM 496 N GLN A 36 -9.416 -0.284 -5.164 1.00 0.00 N ATOM 497 CA GLN A 36 -8.207 -0.163 -5.960 1.00 0.00 C ATOM 498 C GLN A 36 -6.997 -0.660 -5.167 1.00 0.00 C ATOM 499 O GLN A 36 -6.073 -1.241 -5.735 1.00 0.00 O ATOM 500 CB GLN A 36 -8.001 1.279 -6.429 1.00 0.00 C ATOM 501 CG GLN A 36 -6.702 1.416 -7.225 1.00 0.00 C ATOM 502 CD GLN A 36 -6.942 1.160 -8.714 1.00 0.00 C ATOM 503 OE1 GLN A 36 -8.011 0.749 -9.135 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.891 1.424 -9.485 1.00 0.00 N ATOM 0 H GLN A 36 -9.879 0.600 -4.955 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.316 -0.787 -6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.844 1.588 -7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.976 1.946 -5.567 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.290 2.415 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.963 0.711 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.025 1.766 -9.068 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.951 1.285 -10.494 1.00 0.00 H new ATOM 513 N ILE A 37 -7.041 -0.413 -3.866 1.00 0.00 N ATOM 514 CA ILE A 37 -5.959 -0.828 -2.988 1.00 0.00 C ATOM 515 C ILE A 37 -6.148 -2.300 -2.615 1.00 0.00 C ATOM 516 O ILE A 37 -5.174 -3.043 -2.494 1.00 0.00 O ATOM 517 CB ILE A 37 -5.862 0.105 -1.780 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.442 0.117 -1.210 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.902 -0.261 -0.719 1.00 0.00 C ATOM 520 CD1 ILE A 37 -4.271 -0.966 -0.142 1.00 0.00 C ATOM 0 H ILE A 37 -7.809 0.069 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.000 -0.749 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.085 1.119 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.722 -0.042 -2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.227 1.095 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.811 0.418 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.902 -0.177 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.735 -1.285 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.253 -0.936 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.975 -0.790 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.463 -1.945 -0.582 1.00 0.00 H new ATOM 532 N SER A 38 -7.406 -2.678 -2.444 1.00 0.00 N ATOM 533 CA SER A 38 -7.734 -4.048 -2.087 1.00 0.00 C ATOM 534 C SER A 38 -7.127 -5.014 -3.106 1.00 0.00 C ATOM 535 O SER A 38 -6.626 -6.075 -2.739 1.00 0.00 O ATOM 536 CB SER A 38 -9.249 -4.247 -2.003 1.00 0.00 C ATOM 537 OG SER A 38 -9.596 -5.351 -1.172 1.00 0.00 O ATOM 0 H SER A 38 -8.211 -2.060 -2.546 1.00 0.00 H new ATOM 0 HA SER A 38 -7.312 -4.256 -1.104 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.713 -3.340 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.650 -4.406 -3.004 1.00 0.00 H new ATOM 0 HG SER A 38 -10.571 -5.444 -1.142 1.00 0.00 H new ATOM 543 N ARG A 39 -7.191 -4.611 -4.367 1.00 0.00 N ATOM 544 CA ARG A 39 -6.654 -5.428 -5.442 1.00 0.00 C ATOM 545 C ARG A 39 -5.137 -5.566 -5.296 1.00 0.00 C ATOM 546 O ARG A 39 -4.571 -6.608 -5.624 1.00 0.00 O ATOM 547 CB ARG A 39 -6.975 -4.820 -6.809 1.00 0.00 C ATOM 548 CG ARG A 39 -7.886 -5.743 -7.620 1.00 0.00 C ATOM 549 CD ARG A 39 -8.943 -4.941 -8.380 1.00 0.00 C ATOM 550 NE ARG A 39 -10.258 -5.075 -7.713 1.00 0.00 N ATOM 551 CZ ARG A 39 -10.913 -6.236 -7.572 1.00 0.00 C ATOM 552 NH1 ARG A 39 -10.380 -7.368 -8.050 1.00 0.00 N ATOM 553 NH2 ARG A 39 -12.101 -6.263 -6.953 1.00 0.00 N ATOM 0 H ARG A 39 -7.607 -3.729 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.120 -6.411 -5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.458 -3.852 -6.676 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.050 -4.642 -7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.289 -6.323 -8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.374 -6.455 -6.954 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.653 -3.891 -8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.010 -5.295 -9.409 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.692 -4.232 -7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.476 -7.347 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.878 -8.251 -7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.506 -5.400 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.600 -7.146 -6.845 1.00 0.00 H new ATOM 567 N ILE A 40 -4.523 -4.501 -4.803 1.00 0.00 N ATOM 568 CA ILE A 40 -3.083 -4.490 -4.610 1.00 0.00 C ATOM 569 C ILE A 40 -2.724 -5.394 -3.429 1.00 0.00 C ATOM 570 O ILE A 40 -1.728 -6.114 -3.473 1.00 0.00 O ATOM 571 CB ILE A 40 -2.572 -3.056 -4.464 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.106 -2.166 -5.588 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.045 -3.023 -4.384 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.865 -0.687 -5.279 1.00 0.00 C ATOM 0 H ILE A 40 -4.996 -3.639 -4.531 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.579 -4.895 -5.487 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.952 -2.653 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.619 -2.429 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.173 -2.344 -5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.708 -1.991 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.713 -3.601 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.624 -3.453 -5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.254 -0.077 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.373 -0.421 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.795 -0.508 -5.170 1.00 0.00 H new ATOM 586 N GLN A 41 -3.557 -5.328 -2.400 1.00 0.00 N ATOM 587 CA GLN A 41 -3.341 -6.131 -1.209 1.00 0.00 C ATOM 588 C GLN A 41 -3.622 -7.606 -1.505 1.00 0.00 C ATOM 589 O GLN A 41 -2.969 -8.489 -0.951 1.00 0.00 O ATOM 590 CB GLN A 41 -4.201 -5.631 -0.047 1.00 0.00 C ATOM 591 CG GLN A 41 -3.564 -4.412 0.622 1.00 0.00 C ATOM 592 CD GLN A 41 -4.216 -4.126 1.976 1.00 0.00 C ATOM 593 OE1 GLN A 41 -3.704 -4.475 3.027 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.372 -3.473 1.893 1.00 0.00 N ATOM 0 H GLN A 41 -4.383 -4.730 -2.367 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.297 -6.033 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.195 -5.372 -0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.327 -6.428 0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.496 -4.584 0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.667 -3.542 -0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.745 -3.210 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.885 -3.235 2.742 1.00 0.00 H new ATOM 603 N GLN A 42 -4.594 -7.826 -2.377 1.00 0.00 N ATOM 604 CA GLN A 42 -4.970 -9.178 -2.753 1.00 0.00 C ATOM 605 C GLN A 42 -4.076 -9.681 -3.888 1.00 0.00 C ATOM 606 O GLN A 42 -3.911 -10.888 -4.066 1.00 0.00 O ATOM 607 CB GLN A 42 -6.447 -9.248 -3.147 1.00 0.00 C ATOM 608 CG GLN A 42 -7.349 -9.035 -1.930 1.00 0.00 C ATOM 609 CD GLN A 42 -7.843 -10.372 -1.373 1.00 0.00 C ATOM 610 OE1 GLN A 42 -7.692 -11.420 -1.979 1.00 0.00 O ATOM 611 NE2 GLN A 42 -8.441 -10.277 -0.189 1.00 0.00 N ATOM 0 H GLN A 42 -5.133 -7.091 -2.834 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.828 -9.827 -1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.662 -8.491 -3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.661 -10.217 -3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.802 -8.495 -1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.202 -8.416 -2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.534 -9.368 0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.806 -11.113 0.266 1.00 0.00 H new ATOM 620 N GLU A 43 -3.522 -8.732 -4.628 1.00 0.00 N ATOM 621 CA GLU A 43 -2.649 -9.064 -5.741 1.00 0.00 C ATOM 622 C GLU A 43 -1.309 -9.592 -5.225 1.00 0.00 C ATOM 623 O GLU A 43 -0.833 -10.633 -5.675 1.00 0.00 O ATOM 624 CB GLU A 43 -2.446 -7.856 -6.657 1.00 0.00 C ATOM 625 CG GLU A 43 -3.544 -7.782 -7.720 1.00 0.00 C ATOM 626 CD GLU A 43 -3.222 -8.694 -8.906 1.00 0.00 C ATOM 627 OE1 GLU A 43 -3.255 -9.926 -8.699 1.00 0.00 O ATOM 628 OE2 GLU A 43 -2.950 -8.138 -9.991 1.00 0.00 O ATOM 0 H GLU A 43 -3.661 -7.733 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.124 -9.849 -6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.447 -6.941 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.471 -7.921 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.499 -8.072 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.651 -6.754 -8.066 1.00 0.00 H new ATOM 635 N SER A 44 -0.737 -8.849 -4.288 1.00 0.00 N ATOM 636 CA SER A 44 0.539 -9.230 -3.706 1.00 0.00 C ATOM 637 C SER A 44 0.311 -10.013 -2.412 1.00 0.00 C ATOM 638 O SER A 44 1.248 -10.579 -1.851 1.00 0.00 O ATOM 639 CB SER A 44 1.410 -8.001 -3.437 1.00 0.00 C ATOM 640 OG SER A 44 0.686 -6.969 -2.773 1.00 0.00 O ATOM 0 H SER A 44 -1.134 -7.985 -3.918 1.00 0.00 H new ATOM 0 HA SER A 44 1.064 -9.865 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.268 -8.290 -2.830 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.801 -7.620 -4.380 1.00 0.00 H new ATOM 0 HG SER A 44 -0.003 -6.614 -3.373 1.00 0.00 H new ATOM 646 N GLY A 45 -0.940 -10.020 -1.974 1.00 0.00 N ATOM 647 CA GLY A 45 -1.303 -10.724 -0.756 1.00 0.00 C ATOM 648 C GLY A 45 -0.569 -10.142 0.453 1.00 0.00 C ATOM 649 O GLY A 45 -0.340 -10.839 1.440 1.00 0.00 O ATOM 0 H GLY A 45 -1.715 -9.549 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.380 -10.656 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.062 -11.782 -0.858 1.00 0.00 H new ATOM 653 N CYS A 46 -0.219 -8.869 0.337 1.00 0.00 N ATOM 654 CA CYS A 46 0.484 -8.185 1.408 1.00 0.00 C ATOM 655 C CYS A 46 -0.469 -7.166 2.035 1.00 0.00 C ATOM 656 O CYS A 46 -1.427 -6.733 1.397 1.00 0.00 O ATOM 657 CB CYS A 46 1.773 -7.529 0.909 1.00 0.00 C ATOM 658 SG CYS A 46 3.130 -7.828 2.101 1.00 0.00 S ATOM 0 H CYS A 46 -0.410 -8.294 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 46 0.790 -8.907 2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.041 -7.931 -0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.620 -6.457 0.781 1.00 0.00 H new ATOM 0 HG CYS A 46 2.672 -7.731 3.314 1.00 0.00 H new ATOM 664 N LYS A 47 -0.173 -6.813 3.278 1.00 0.00 N ATOM 665 CA LYS A 47 -0.992 -5.853 3.998 1.00 0.00 C ATOM 666 C LYS A 47 -0.503 -4.437 3.688 1.00 0.00 C ATOM 667 O LYS A 47 0.699 -4.206 3.560 1.00 0.00 O ATOM 668 CB LYS A 47 -1.014 -6.183 5.492 1.00 0.00 C ATOM 669 CG LYS A 47 -2.259 -5.599 6.164 1.00 0.00 C ATOM 670 CD LYS A 47 -3.036 -6.682 6.914 1.00 0.00 C ATOM 671 CE LYS A 47 -4.290 -6.101 7.572 1.00 0.00 C ATOM 672 NZ LYS A 47 -5.438 -7.019 7.399 1.00 0.00 N ATOM 0 H LYS A 47 0.622 -7.175 3.804 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.029 -5.912 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.995 -7.264 5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.118 -5.785 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.966 -4.810 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.901 -5.140 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.318 -7.476 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.398 -7.132 7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.107 -5.934 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.523 -5.131 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.281 -6.610 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.622 -7.158 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.219 -7.935 7.839 1.00 0.00 H new ATOM 686 N ILE A 48 -1.458 -3.526 3.576 1.00 0.00 N ATOM 687 CA ILE A 48 -1.140 -2.139 3.283 1.00 0.00 C ATOM 688 C ILE A 48 -1.954 -1.228 4.204 1.00 0.00 C ATOM 689 O ILE A 48 -3.165 -1.094 4.038 1.00 0.00 O ATOM 690 CB ILE A 48 -1.340 -1.846 1.795 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.349 -2.641 0.942 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.261 -0.344 1.516 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.897 -2.865 -0.469 1.00 0.00 C ATOM 0 H ILE A 48 -2.453 -3.722 3.683 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.088 -1.939 3.485 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.341 -2.173 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.599 -2.107 0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.146 -3.602 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.406 -0.164 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.037 0.172 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.283 0.031 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.173 -3.432 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.833 -3.421 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.075 -1.902 -0.947 1.00 0.00 H new ATOM 705 N GLN A 49 -1.255 -0.625 5.155 1.00 0.00 N ATOM 706 CA GLN A 49 -1.898 0.270 6.102 1.00 0.00 C ATOM 707 C GLN A 49 -1.557 1.724 5.774 1.00 0.00 C ATOM 708 O GLN A 49 -0.478 2.205 6.117 1.00 0.00 O ATOM 709 CB GLN A 49 -1.501 -0.076 7.539 1.00 0.00 C ATOM 710 CG GLN A 49 -2.707 -0.578 8.336 1.00 0.00 C ATOM 711 CD GLN A 49 -2.355 -0.745 9.815 1.00 0.00 C ATOM 712 OE1 GLN A 49 -1.214 -0.615 10.227 1.00 0.00 O ATOM 713 NE2 GLN A 49 -3.396 -1.041 10.589 1.00 0.00 N ATOM 0 H GLN A 49 -0.250 -0.739 5.290 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.977 0.143 6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.723 -0.839 7.531 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.080 0.804 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.534 0.124 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.045 -1.531 7.929 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.325 -1.135 10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.265 -1.173 11.592 1.00 0.00 H new ATOM 722 N ILE A 50 -2.497 2.385 5.114 1.00 0.00 N ATOM 723 CA ILE A 50 -2.309 3.775 4.735 1.00 0.00 C ATOM 724 C ILE A 50 -2.959 4.677 5.786 1.00 0.00 C ATOM 725 O ILE A 50 -4.035 4.368 6.295 1.00 0.00 O ATOM 726 CB ILE A 50 -2.822 4.017 3.314 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.402 2.882 2.378 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.374 5.385 2.795 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.696 3.238 0.919 1.00 0.00 C ATOM 0 H ILE A 50 -3.391 1.983 4.832 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.248 4.024 4.712 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.912 4.024 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.338 2.680 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.932 1.969 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.752 5.532 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.765 6.167 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.285 5.432 2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.388 2.415 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.764 3.415 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.145 4.138 0.646 1.00 0.00 H new ATOM 741 N ALA A 51 -2.277 5.775 6.080 1.00 0.00 N ATOM 742 CA ALA A 51 -2.775 6.724 7.061 1.00 0.00 C ATOM 743 C ALA A 51 -4.061 7.367 6.537 1.00 0.00 C ATOM 744 O ALA A 51 -4.270 7.447 5.327 1.00 0.00 O ATOM 745 CB ALA A 51 -1.689 7.758 7.367 1.00 0.00 C ATOM 0 H ALA A 51 -1.384 6.028 5.656 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.017 6.218 7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.062 8.470 8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.808 7.254 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.423 8.287 6.452 1.00 0.00 H new ATOM 821 N PRO A 58 4.047 15.680 1.986 1.00 0.00 N ATOM 822 CA PRO A 58 4.124 15.518 0.544 1.00 0.00 C ATOM 823 C PRO A 58 3.950 14.051 0.147 1.00 0.00 C ATOM 824 O PRO A 58 3.580 13.751 -0.987 1.00 0.00 O ATOM 825 CB PRO A 58 5.482 16.081 0.157 1.00 0.00 C ATOM 826 CG PRO A 58 6.302 16.110 1.436 1.00 0.00 C ATOM 827 CD PRO A 58 5.350 15.910 2.605 1.00 0.00 C ATOM 0 HA PRO A 58 3.326 16.042 0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.961 15.460 -0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.384 17.081 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.059 15.326 1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.828 17.060 1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.651 15.062 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.331 16.785 3.255 1.00 0.00 H new ATOM 835 N GLU A 59 4.225 13.176 1.103 1.00 0.00 N ATOM 836 CA GLU A 59 4.104 11.747 0.867 1.00 0.00 C ATOM 837 C GLU A 59 3.371 11.077 2.031 1.00 0.00 C ATOM 838 O GLU A 59 3.677 11.337 3.194 1.00 0.00 O ATOM 839 CB GLU A 59 5.476 11.109 0.644 1.00 0.00 C ATOM 840 CG GLU A 59 6.144 11.671 -0.613 1.00 0.00 C ATOM 841 CD GLU A 59 7.440 12.406 -0.263 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.484 11.722 -0.211 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.356 13.636 -0.056 1.00 0.00 O ATOM 0 H GLU A 59 4.531 13.429 2.043 1.00 0.00 H new ATOM 0 HA GLU A 59 3.519 11.597 -0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.111 11.292 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.368 10.028 0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.358 10.860 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.460 12.353 -1.119 1.00 0.00 H new ATOM 850 N ARG A 60 2.417 10.228 1.678 1.00 0.00 N ATOM 851 CA ARG A 60 1.639 9.519 2.679 1.00 0.00 C ATOM 852 C ARG A 60 2.273 8.159 2.980 1.00 0.00 C ATOM 853 O ARG A 60 2.294 7.277 2.123 1.00 0.00 O ATOM 854 CB ARG A 60 0.198 9.309 2.209 1.00 0.00 C ATOM 855 CG ARG A 60 -0.532 8.308 3.108 1.00 0.00 C ATOM 856 CD ARG A 60 -1.823 8.910 3.664 1.00 0.00 C ATOM 857 NE ARG A 60 -2.914 8.773 2.674 1.00 0.00 N ATOM 858 CZ ARG A 60 -4.170 9.194 2.876 1.00 0.00 C ATOM 859 NH1 ARG A 60 -4.501 9.782 4.034 1.00 0.00 N ATOM 860 NH2 ARG A 60 -5.095 9.027 1.921 1.00 0.00 N ATOM 0 H ARG A 60 2.165 10.015 0.713 1.00 0.00 H new ATOM 0 HA ARG A 60 1.630 10.127 3.583 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.332 10.261 2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.196 8.948 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.762 7.406 2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.119 8.011 3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.098 8.408 4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.669 9.962 3.904 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.696 8.330 1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.797 9.909 4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.457 10.103 4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.843 8.579 1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.051 9.348 2.075 1.00 0.00 H new ATOM 874 N SER A 61 2.773 8.032 4.200 1.00 0.00 N ATOM 875 CA SER A 61 3.406 6.795 4.625 1.00 0.00 C ATOM 876 C SER A 61 2.384 5.657 4.623 1.00 0.00 C ATOM 877 O SER A 61 1.222 5.861 4.973 1.00 0.00 O ATOM 878 CB SER A 61 4.032 6.944 6.013 1.00 0.00 C ATOM 879 OG SER A 61 4.709 5.760 6.424 1.00 0.00 O ATOM 0 H SER A 61 2.753 8.766 4.908 1.00 0.00 H new ATOM 0 HA SER A 61 4.204 6.560 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.733 7.779 6.007 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.254 7.187 6.737 1.00 0.00 H new ATOM 0 HG SER A 61 5.096 5.897 7.314 1.00 0.00 H new ATOM 885 N CYS A 62 2.853 4.483 4.225 1.00 0.00 N ATOM 886 CA CYS A 62 1.993 3.313 4.173 1.00 0.00 C ATOM 887 C CYS A 62 2.702 2.164 4.894 1.00 0.00 C ATOM 888 O CYS A 62 3.793 1.757 4.497 1.00 0.00 O ATOM 889 CB CYS A 62 1.626 2.944 2.734 1.00 0.00 C ATOM 890 SG CYS A 62 0.965 4.410 1.861 1.00 0.00 S ATOM 0 H CYS A 62 3.817 4.317 3.936 1.00 0.00 H new ATOM 0 HA CYS A 62 1.050 3.529 4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.504 2.565 2.212 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.885 2.145 2.733 1.00 0.00 H new ATOM 0 HG CYS A 62 1.764 5.419 2.041 1.00 0.00 H new ATOM 896 N MET A 63 2.053 1.674 5.940 1.00 0.00 N ATOM 897 CA MET A 63 2.608 0.580 6.719 1.00 0.00 C ATOM 898 C MET A 63 2.291 -0.770 6.073 1.00 0.00 C ATOM 899 O MET A 63 1.128 -1.160 5.981 1.00 0.00 O ATOM 900 CB MET A 63 2.029 0.617 8.135 1.00 0.00 C ATOM 901 CG MET A 63 2.622 1.775 8.940 1.00 0.00 C ATOM 902 SD MET A 63 3.610 1.141 10.285 1.00 0.00 S ATOM 903 CE MET A 63 5.216 1.120 9.507 1.00 0.00 C ATOM 0 H MET A 63 1.148 2.014 6.266 1.00 0.00 H new ATOM 0 HA MET A 63 3.691 0.698 6.756 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.945 0.721 8.086 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.236 -0.326 8.641 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.234 2.403 8.293 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.822 2.404 9.331 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.961 0.764 10.219 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.193 0.456 8.643 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.476 2.128 9.183 1.00 0.00 H new ATOM 913 N LEU A 64 3.346 -1.445 5.641 1.00 0.00 N ATOM 914 CA LEU A 64 3.195 -2.743 5.006 1.00 0.00 C ATOM 915 C LEU A 64 3.528 -3.843 6.017 1.00 0.00 C ATOM 916 O LEU A 64 4.417 -3.677 6.850 1.00 0.00 O ATOM 917 CB LEU A 64 4.028 -2.813 3.725 1.00 0.00 C ATOM 918 CG LEU A 64 3.737 -1.738 2.676 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.937 -0.805 2.499 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.301 -2.368 1.352 1.00 0.00 C ATOM 0 H LEU A 64 4.309 -1.117 5.718 1.00 0.00 H new ATOM 0 HA LEU A 64 2.162 -2.897 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.082 -2.751 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.873 -3.790 3.268 1.00 0.00 H new ATOM 0 HG LEU A 64 2.906 -1.129 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.704 -0.050 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.161 -0.316 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.803 -1.383 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.100 -1.582 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.095 -3.015 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.397 -2.956 1.509 1.00 0.00 H new ATOM 932 N THR A 65 2.795 -4.941 5.911 1.00 0.00 N ATOM 933 CA THR A 65 3.001 -6.068 6.805 1.00 0.00 C ATOM 934 C THR A 65 2.788 -7.387 6.059 1.00 0.00 C ATOM 935 O THR A 65 1.736 -7.601 5.458 1.00 0.00 O ATOM 936 CB THR A 65 2.072 -5.893 8.008 1.00 0.00 C ATOM 937 OG1 THR A 65 2.334 -4.567 8.459 1.00 0.00 O ATOM 938 CG2 THR A 65 2.473 -6.776 9.191 1.00 0.00 C ATOM 0 H THR A 65 2.057 -5.075 5.219 1.00 0.00 H new ATOM 0 HA THR A 65 4.027 -6.100 7.171 1.00 0.00 H new ATOM 0 HB THR A 65 1.049 -6.125 7.713 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.772 -4.369 9.237 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.781 -6.613 10.018 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.440 -7.823 8.891 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.484 -6.522 9.509 1.00 0.00 H new ATOM 946 N GLY A 66 3.803 -8.236 6.123 1.00 0.00 N ATOM 947 CA GLY A 66 3.740 -9.528 5.462 1.00 0.00 C ATOM 948 C GLY A 66 5.118 -9.948 4.946 1.00 0.00 C ATOM 949 O GLY A 66 6.135 -9.398 5.364 1.00 0.00 O ATOM 0 H GLY A 66 4.674 -8.054 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.364 -10.278 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.035 -9.482 4.632 1.00 0.00 H new ATOM 953 N THR A 67 5.106 -10.919 4.044 1.00 0.00 N ATOM 954 CA THR A 67 6.342 -11.418 3.467 1.00 0.00 C ATOM 955 C THR A 67 7.116 -10.281 2.797 1.00 0.00 C ATOM 956 O THR A 67 6.553 -9.224 2.515 1.00 0.00 O ATOM 957 CB THR A 67 5.990 -12.559 2.510 1.00 0.00 C ATOM 958 OG1 THR A 67 4.835 -12.090 1.821 1.00 0.00 O ATOM 959 CG2 THR A 67 5.503 -13.810 3.244 1.00 0.00 C ATOM 0 H THR A 67 4.260 -11.373 3.699 1.00 0.00 H new ATOM 0 HA THR A 67 7.006 -11.812 4.236 1.00 0.00 H new ATOM 0 HB THR A 67 6.863 -12.809 1.907 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.087 -12.703 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.267 -14.589 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.284 -14.165 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.610 -13.569 3.821 1.00 0.00 H new ATOM 967 N PRO A 68 8.429 -10.543 2.556 1.00 0.00 N ATOM 968 CA PRO A 68 9.286 -9.554 1.925 1.00 0.00 C ATOM 969 C PRO A 68 8.995 -9.453 0.427 1.00 0.00 C ATOM 970 O PRO A 68 8.962 -8.356 -0.130 1.00 0.00 O ATOM 971 CB PRO A 68 10.703 -10.012 2.226 1.00 0.00 C ATOM 972 CG PRO A 68 10.594 -11.479 2.610 1.00 0.00 C ATOM 973 CD PRO A 68 9.129 -11.783 2.877 1.00 0.00 C ATOM 0 HA PRO A 68 9.118 -8.547 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.348 -9.883 1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.139 -9.427 3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.976 -12.113 1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.195 -11.688 3.495 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.777 -12.608 2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.967 -12.072 3.916 1.00 0.00 H new ATOM 981 N GLU A 69 8.792 -10.611 -0.184 1.00 0.00 N ATOM 982 CA GLU A 69 8.505 -10.667 -1.607 1.00 0.00 C ATOM 983 C GLU A 69 7.140 -10.040 -1.898 1.00 0.00 C ATOM 984 O GLU A 69 6.923 -9.490 -2.977 1.00 0.00 O ATOM 985 CB GLU A 69 8.569 -12.105 -2.123 1.00 0.00 C ATOM 986 CG GLU A 69 9.912 -12.385 -2.801 1.00 0.00 C ATOM 987 CD GLU A 69 10.933 -12.919 -1.795 1.00 0.00 C ATOM 988 OE1 GLU A 69 10.578 -13.883 -1.083 1.00 0.00 O ATOM 989 OE2 GLU A 69 12.046 -12.351 -1.762 1.00 0.00 O ATOM 0 H GLU A 69 8.821 -11.518 0.281 1.00 0.00 H new ATOM 0 HA GLU A 69 9.267 -10.093 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.424 -12.799 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.758 -12.278 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.774 -13.109 -3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.290 -11.471 -3.258 1.00 0.00 H new ATOM 996 N SER A 70 6.255 -10.144 -0.918 1.00 0.00 N ATOM 997 CA SER A 70 4.917 -9.595 -1.055 1.00 0.00 C ATOM 998 C SER A 70 4.955 -8.075 -0.881 1.00 0.00 C ATOM 999 O SER A 70 4.187 -7.354 -1.516 1.00 0.00 O ATOM 1000 CB SER A 70 3.957 -10.221 -0.042 1.00 0.00 C ATOM 1001 OG SER A 70 3.714 -11.598 -0.317 1.00 0.00 O ATOM 0 H SER A 70 6.439 -10.601 -0.025 1.00 0.00 H new ATOM 0 HA SER A 70 4.552 -9.832 -2.054 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.371 -10.119 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.013 -9.677 -0.053 1.00 0.00 H new ATOM 0 HG SER A 70 4.219 -12.152 0.314 1.00 0.00 H new ATOM 1007 N VAL A 71 5.857 -7.633 -0.017 1.00 0.00 N ATOM 1008 CA VAL A 71 6.005 -6.212 0.248 1.00 0.00 C ATOM 1009 C VAL A 71 6.477 -5.506 -1.025 1.00 0.00 C ATOM 1010 O VAL A 71 5.966 -4.444 -1.376 1.00 0.00 O ATOM 1011 CB VAL A 71 6.946 -5.997 1.435 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.450 -4.553 1.481 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.267 -6.382 2.751 1.00 0.00 C ATOM 0 H VAL A 71 6.492 -8.234 0.508 1.00 0.00 H new ATOM 0 HA VAL A 71 5.047 -5.773 0.526 1.00 0.00 H new ATOM 0 HB VAL A 71 7.809 -6.649 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.117 -4.427 2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.990 -4.327 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.602 -3.875 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.958 -6.219 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.378 -5.768 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.981 -7.433 2.719 1.00 0.00 H new ATOM 1023 N GLN A 72 7.448 -6.125 -1.681 1.00 0.00 N ATOM 1024 CA GLN A 72 7.995 -5.569 -2.907 1.00 0.00 C ATOM 1025 C GLN A 72 6.926 -5.547 -4.002 1.00 0.00 C ATOM 1026 O GLN A 72 6.653 -4.499 -4.586 1.00 0.00 O ATOM 1027 CB GLN A 72 9.229 -6.351 -3.361 1.00 0.00 C ATOM 1028 CG GLN A 72 10.514 -5.678 -2.876 1.00 0.00 C ATOM 1029 CD GLN A 72 11.714 -6.614 -3.026 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.654 -7.796 -2.729 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.806 -6.022 -3.503 1.00 0.00 N ATOM 0 H GLN A 72 7.870 -7.006 -1.387 1.00 0.00 H new ATOM 0 HA GLN A 72 8.308 -4.544 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.180 -7.370 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.239 -6.421 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.687 -4.765 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.404 -5.387 -1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.789 -5.028 -3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.660 -6.562 -3.640 1.00 0.00 H new ATOM 1040 N SER A 73 6.351 -6.715 -4.247 1.00 0.00 N ATOM 1041 CA SER A 73 5.319 -6.843 -5.262 1.00 0.00 C ATOM 1042 C SER A 73 4.280 -5.733 -5.094 1.00 0.00 C ATOM 1043 O SER A 73 4.015 -4.978 -6.028 1.00 0.00 O ATOM 1044 CB SER A 73 4.646 -8.215 -5.194 1.00 0.00 C ATOM 1045 OG SER A 73 5.598 -9.273 -5.124 1.00 0.00 O ATOM 0 H SER A 73 6.580 -7.582 -3.760 1.00 0.00 H new ATOM 0 HA SER A 73 5.789 -6.748 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.993 -8.256 -4.322 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.014 -8.353 -6.072 1.00 0.00 H new ATOM 0 HG SER A 73 5.810 -9.461 -4.186 1.00 0.00 H new ATOM 1051 N ALA A 74 3.718 -5.669 -3.895 1.00 0.00 N ATOM 1052 CA ALA A 74 2.713 -4.664 -3.592 1.00 0.00 C ATOM 1053 C ALA A 74 3.251 -3.282 -3.968 1.00 0.00 C ATOM 1054 O ALA A 74 2.591 -2.529 -4.683 1.00 0.00 O ATOM 1055 CB ALA A 74 2.327 -4.757 -2.115 1.00 0.00 C ATOM 0 H ALA A 74 3.940 -6.297 -3.122 1.00 0.00 H new ATOM 0 HA ALA A 74 1.809 -4.836 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.573 -4.003 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.924 -5.748 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.209 -4.586 -1.497 1.00 0.00 H new ATOM 1061 N LYS A 75 4.444 -2.990 -3.471 1.00 0.00 N ATOM 1062 CA LYS A 75 5.078 -1.712 -3.745 1.00 0.00 C ATOM 1063 C LYS A 75 4.963 -1.402 -5.239 1.00 0.00 C ATOM 1064 O LYS A 75 4.429 -0.362 -5.622 1.00 0.00 O ATOM 1065 CB LYS A 75 6.516 -1.704 -3.224 1.00 0.00 C ATOM 1066 CG LYS A 75 6.558 -1.351 -1.736 1.00 0.00 C ATOM 1067 CD LYS A 75 7.784 -1.968 -1.060 1.00 0.00 C ATOM 1068 CE LYS A 75 8.926 -0.953 -0.964 1.00 0.00 C ATOM 1069 NZ LYS A 75 10.185 -1.541 -1.473 1.00 0.00 N ATOM 0 H LYS A 75 4.989 -3.618 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 75 4.567 -0.911 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.969 -2.683 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.107 -0.984 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.579 -0.268 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.651 -1.708 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.517 -2.316 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.114 -2.840 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.676 -0.060 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.056 -0.640 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.950 -0.840 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.430 -2.379 -0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.062 -1.818 -2.468 1.00 0.00 H new ATOM 1083 N ARG A 76 5.474 -2.323 -6.043 1.00 0.00 N ATOM 1084 CA ARG A 76 5.435 -2.161 -7.487 1.00 0.00 C ATOM 1085 C ARG A 76 4.039 -1.724 -7.935 1.00 0.00 C ATOM 1086 O ARG A 76 3.900 -0.783 -8.715 1.00 0.00 O ATOM 1087 CB ARG A 76 5.807 -3.463 -8.197 1.00 0.00 C ATOM 1088 CG ARG A 76 7.274 -3.822 -7.953 1.00 0.00 C ATOM 1089 CD ARG A 76 8.197 -2.999 -8.855 1.00 0.00 C ATOM 1090 NE ARG A 76 8.551 -3.778 -10.063 1.00 0.00 N ATOM 1091 CZ ARG A 76 9.533 -3.443 -10.911 1.00 0.00 C ATOM 1092 NH1 ARG A 76 10.263 -2.342 -10.690 1.00 0.00 N ATOM 1093 NH2 ARG A 76 9.783 -4.210 -11.981 1.00 0.00 N ATOM 0 H ARG A 76 5.917 -3.184 -5.722 1.00 0.00 H new ATOM 0 HA ARG A 76 6.162 -1.394 -7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.167 -4.271 -7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.627 -3.362 -9.267 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.527 -3.643 -6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.428 -4.884 -8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.704 -2.070 -9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.101 -2.725 -8.311 1.00 0.00 H new ATOM 0 HE ARG A 76 8.014 -4.622 -10.262 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.072 -1.758 -9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.010 -2.087 -11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.226 -5.048 -12.149 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.530 -3.956 -12.627 1.00 0.00 H new ATOM 1107 N LEU A 77 3.041 -2.428 -7.422 1.00 0.00 N ATOM 1108 CA LEU A 77 1.660 -2.124 -7.760 1.00 0.00 C ATOM 1109 C LEU A 77 1.348 -0.680 -7.363 1.00 0.00 C ATOM 1110 O LEU A 77 0.715 0.053 -8.121 1.00 0.00 O ATOM 1111 CB LEU A 77 0.717 -3.152 -7.132 1.00 0.00 C ATOM 1112 CG LEU A 77 0.744 -4.552 -7.749 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.220 -5.596 -6.762 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.021 -4.582 -9.074 1.00 0.00 C ATOM 0 H LEU A 77 3.160 -3.208 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 77 1.506 -2.199 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.959 -3.239 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.301 -2.768 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 77 1.780 -4.808 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.250 -6.582 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.843 -5.596 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.807 -5.355 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.014 -5.588 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.059 -4.296 -8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.436 -3.883 -9.774 1.00 0.00 H new ATOM 1126 N LEU A 78 1.808 -0.314 -6.175 1.00 0.00 N ATOM 1127 CA LEU A 78 1.586 1.029 -5.669 1.00 0.00 C ATOM 1128 C LEU A 78 2.286 2.037 -6.583 1.00 0.00 C ATOM 1129 O LEU A 78 1.637 2.896 -7.178 1.00 0.00 O ATOM 1130 CB LEU A 78 2.014 1.127 -4.203 1.00 0.00 C ATOM 1131 CG LEU A 78 1.244 0.245 -3.219 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.877 0.294 -1.827 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.239 0.624 -3.188 1.00 0.00 C ATOM 0 H LEU A 78 2.333 -0.924 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 78 0.523 1.270 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.072 0.873 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.914 2.165 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 78 1.306 -0.787 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.310 -0.342 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.906 -0.061 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.866 1.320 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.764 -0.018 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.342 1.664 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.668 0.496 -4.182 1.00 0.00 H new ATOM 1145 N ASP A 79 3.601 1.898 -6.665 1.00 0.00 N ATOM 1146 CA ASP A 79 4.396 2.785 -7.497 1.00 0.00 C ATOM 1147 C ASP A 79 3.748 2.901 -8.878 1.00 0.00 C ATOM 1148 O ASP A 79 3.527 4.005 -9.373 1.00 0.00 O ATOM 1149 CB ASP A 79 5.814 2.241 -7.684 1.00 0.00 C ATOM 1150 CG ASP A 79 6.755 3.149 -8.478 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.666 4.378 -8.272 1.00 0.00 O ATOM 1152 OD2 ASP A 79 7.543 2.592 -9.274 1.00 0.00 O ATOM 0 H ASP A 79 4.136 1.185 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 79 4.444 3.756 -7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.250 2.061 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.753 1.276 -8.188 1.00 0.00 H new ATOM 1157 N GLN A 80 3.461 1.746 -9.460 1.00 0.00 N ATOM 1158 CA GLN A 80 2.842 1.704 -10.774 1.00 0.00 C ATOM 1159 C GLN A 80 1.798 2.814 -10.905 1.00 0.00 C ATOM 1160 O GLN A 80 1.928 3.697 -11.751 1.00 0.00 O ATOM 1161 CB GLN A 80 2.221 0.332 -11.044 1.00 0.00 C ATOM 1162 CG GLN A 80 2.900 -0.354 -12.230 1.00 0.00 C ATOM 1163 CD GLN A 80 2.088 -0.164 -13.513 1.00 0.00 C ATOM 1164 OE1 GLN A 80 1.953 0.930 -14.036 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.555 -1.286 -13.988 1.00 0.00 N ATOM 0 H GLN A 80 3.646 0.832 -9.046 1.00 0.00 H new ATOM 0 HA GLN A 80 3.616 1.870 -11.524 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.313 -0.294 -10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.156 0.445 -11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.902 0.054 -12.366 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.015 -1.418 -12.022 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.707 -2.169 -13.501 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.994 -1.263 -14.840 1.00 0.00 H new ATOM 1174 N ILE A 81 0.785 2.733 -10.055 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.281 3.720 -10.065 1.00 0.00 C ATOM 1176 C ILE A 81 0.323 5.116 -10.232 1.00 0.00 C ATOM 1177 O ILE A 81 -0.063 5.859 -11.132 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.157 3.575 -8.819 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -2.078 2.359 -8.935 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.938 4.862 -8.545 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.555 1.898 -7.556 1.00 0.00 C ATOM 0 H ILE A 81 0.680 1.999 -9.355 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.944 3.555 -10.914 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.506 3.405 -7.961 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.938 2.608 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.550 1.545 -9.432 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.553 4.732 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.240 5.684 -8.388 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.578 5.088 -9.398 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.208 1.032 -7.667 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.694 1.627 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.103 2.706 -7.072 1.00 0.00 H new ATOM 1193 N VAL A 82 1.262 5.429 -9.351 1.00 0.00 N ATOM 1194 CA VAL A 82 1.923 6.722 -9.390 1.00 0.00 C ATOM 1195 C VAL A 82 2.448 6.979 -10.804 1.00 0.00 C ATOM 1196 O VAL A 82 2.116 7.992 -11.418 1.00 0.00 O ATOM 1197 CB VAL A 82 3.021 6.781 -8.325 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.693 8.155 -8.306 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.466 6.422 -6.945 1.00 0.00 C ATOM 0 H VAL A 82 1.581 4.809 -8.606 1.00 0.00 H new ATOM 0 HA VAL A 82 1.217 7.519 -9.155 1.00 0.00 H new ATOM 0 HB VAL A 82 3.779 6.042 -8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.469 8.170 -7.541 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.140 8.355 -9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.950 8.921 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.266 6.472 -6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.679 7.126 -6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.057 5.412 -6.969 1.00 0.00 H new