USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=15 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 131:sc= -1.18 USER MOD Set 1.2: A 70 SER OG : rot -89:sc= 1.3 USER MOD Single : A 15 MET CE :methyl 142:sc= -0.623 (180deg=-2.93!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 147:sc= -3.14! (180deg=-4.8!) USER MOD Single : A 36 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.933 X(o=-0.93,f=-0.56) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -67:sc= -3.78! USER MOD Single : A 46 CYS SG : rot -100:sc= -1.38 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.029) USER MOD Single : A 61 SER OG : rot 137:sc= 0.53 USER MOD Single : A 62 CYS SG : rot 61:sc= -4.75! USER MOD Single : A 63 MET CE :methyl -172:sc= -1.16 (180deg=-1.25) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.397 USER MOD Single : A 72 GLN : amide:sc= -0.673 K(o=-0.67,f=-2.9!) USER MOD Single : A 73 SER OG : rot 109:sc= 0.882 USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= -1.7 (180deg=-4.1!) USER MOD Single : A 80 GLN : amide:sc= -2.9! C(o=-2.9!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.101 -8.959 8.131 1.00 0.00 N ATOM 186 CA MET A 15 7.980 -7.814 8.297 1.00 0.00 C ATOM 187 C MET A 15 7.195 -6.503 8.215 1.00 0.00 C ATOM 188 O MET A 15 6.040 -6.493 7.793 1.00 0.00 O ATOM 189 CB MET A 15 9.055 -7.834 7.209 1.00 0.00 C ATOM 190 CG MET A 15 8.434 -7.659 5.821 1.00 0.00 C ATOM 191 SD MET A 15 8.676 -5.985 5.251 1.00 0.00 S ATOM 192 CE MET A 15 10.447 -5.852 5.422 1.00 0.00 C ATOM 0 HA MET A 15 8.445 -7.876 9.281 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.777 -7.038 7.391 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.602 -8.776 7.250 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.887 -8.360 5.120 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.369 -7.889 5.858 1.00 0.00 H new ATOM 0 HE1 MET A 15 10.851 -5.276 4.589 1.00 0.00 H new ATOM 0 HE2 MET A 15 10.685 -5.350 6.360 1.00 0.00 H new ATOM 0 HE3 MET A 15 10.888 -6.849 5.422 1.00 0.00 H new ATOM 202 N THR A 16 7.853 -5.430 8.627 1.00 0.00 N ATOM 203 CA THR A 16 7.232 -4.117 8.605 1.00 0.00 C ATOM 204 C THR A 16 8.105 -3.125 7.834 1.00 0.00 C ATOM 205 O THR A 16 9.267 -2.917 8.180 1.00 0.00 O ATOM 206 CB THR A 16 6.966 -3.696 10.052 1.00 0.00 C ATOM 207 OG1 THR A 16 6.174 -4.755 10.582 1.00 0.00 O ATOM 208 CG2 THR A 16 6.059 -2.467 10.147 1.00 0.00 C ATOM 0 H THR A 16 8.811 -5.443 8.978 1.00 0.00 H new ATOM 0 HA THR A 16 6.279 -4.140 8.077 1.00 0.00 H new ATOM 0 HB THR A 16 7.913 -3.487 10.549 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.957 -4.564 11.518 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.902 -2.211 11.195 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.529 -1.628 9.634 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.099 -2.686 9.680 1.00 0.00 H new ATOM 216 N GLU A 17 7.513 -2.540 6.804 1.00 0.00 N ATOM 217 CA GLU A 17 8.223 -1.576 5.981 1.00 0.00 C ATOM 218 C GLU A 17 7.473 -0.242 5.960 1.00 0.00 C ATOM 219 O GLU A 17 6.291 -0.185 6.295 1.00 0.00 O ATOM 220 CB GLU A 17 8.429 -2.111 4.563 1.00 0.00 C ATOM 221 CG GLU A 17 9.900 -2.025 4.153 1.00 0.00 C ATOM 222 CD GLU A 17 10.085 -2.422 2.686 1.00 0.00 C ATOM 223 OE1 GLU A 17 9.767 -1.574 1.825 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.539 -3.565 2.461 1.00 0.00 O ATOM 0 H GLU A 17 6.549 -2.715 6.520 1.00 0.00 H new ATOM 0 HA GLU A 17 9.208 -1.411 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.093 -3.146 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.819 -1.540 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.265 -1.010 4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.497 -2.679 4.788 1.00 0.00 H new ATOM 231 N GLU A 18 8.191 0.798 5.564 1.00 0.00 N ATOM 232 CA GLU A 18 7.609 2.127 5.495 1.00 0.00 C ATOM 233 C GLU A 18 7.722 2.684 4.074 1.00 0.00 C ATOM 234 O GLU A 18 8.767 3.207 3.690 1.00 0.00 O ATOM 235 CB GLU A 18 8.268 3.068 6.506 1.00 0.00 C ATOM 236 CG GLU A 18 7.700 4.484 6.389 1.00 0.00 C ATOM 237 CD GLU A 18 7.852 5.246 7.707 1.00 0.00 C ATOM 238 OE1 GLU A 18 8.903 5.055 8.355 1.00 0.00 O ATOM 239 OE2 GLU A 18 6.913 6.003 8.036 1.00 0.00 O ATOM 0 H GLU A 18 9.171 0.747 5.287 1.00 0.00 H new ATOM 0 HA GLU A 18 6.552 2.052 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.109 2.691 7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.345 3.090 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.215 5.022 5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.647 4.436 6.112 1.00 0.00 H new ATOM 246 N TYR A 19 6.632 2.550 3.332 1.00 0.00 N ATOM 247 CA TYR A 19 6.596 3.033 1.962 1.00 0.00 C ATOM 248 C TYR A 19 5.834 4.356 1.867 1.00 0.00 C ATOM 249 O TYR A 19 4.714 4.468 2.363 1.00 0.00 O ATOM 250 CB TYR A 19 5.847 1.968 1.159 1.00 0.00 C ATOM 251 CG TYR A 19 5.992 2.115 -0.357 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.192 1.815 -0.969 1.00 0.00 C ATOM 253 CD2 TYR A 19 4.922 2.549 -1.113 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.327 1.954 -2.395 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.057 2.688 -2.540 1.00 0.00 C ATOM 256 CZ TYR A 19 6.253 2.383 -3.111 1.00 0.00 C ATOM 257 OH TYR A 19 6.382 2.514 -4.458 1.00 0.00 O ATOM 0 H TYR A 19 5.768 2.114 3.654 1.00 0.00 H new ATOM 0 HA TYR A 19 7.606 3.205 1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.209 0.983 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.789 2.009 1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.030 1.476 -0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.983 2.784 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.261 1.723 -2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.227 3.027 -3.143 1.00 0.00 H new ATOM 0 HH TYR A 19 5.535 2.828 -4.839 1.00 0.00 H new ATOM 267 N LYS A 20 6.471 5.325 1.226 1.00 0.00 N ATOM 268 CA LYS A 20 5.867 6.636 1.059 1.00 0.00 C ATOM 269 C LYS A 20 5.327 6.766 -0.367 1.00 0.00 C ATOM 270 O LYS A 20 5.964 6.319 -1.319 1.00 0.00 O ATOM 271 CB LYS A 20 6.858 7.735 1.444 1.00 0.00 C ATOM 272 CG LYS A 20 6.918 7.912 2.963 1.00 0.00 C ATOM 273 CD LYS A 20 6.945 9.395 3.341 1.00 0.00 C ATOM 274 CE LYS A 20 7.961 9.657 4.455 1.00 0.00 C ATOM 275 NZ LYS A 20 7.454 10.691 5.385 1.00 0.00 N ATOM 0 H LYS A 20 7.400 5.228 0.816 1.00 0.00 H new ATOM 0 HA LYS A 20 5.019 6.754 1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.849 7.486 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.564 8.675 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.055 7.431 3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.806 7.417 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.197 9.993 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.953 9.709 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.158 8.734 5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.908 9.981 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.155 10.857 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.288 11.576 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.562 10.368 5.811 1.00 0.00 H new ATOM 289 N VAL A 21 4.157 7.380 -0.469 1.00 0.00 N ATOM 290 CA VAL A 21 3.525 7.575 -1.762 1.00 0.00 C ATOM 291 C VAL A 21 3.080 9.033 -1.893 1.00 0.00 C ATOM 292 O VAL A 21 2.944 9.737 -0.894 1.00 0.00 O ATOM 293 CB VAL A 21 2.374 6.582 -1.937 1.00 0.00 C ATOM 294 CG1 VAL A 21 2.898 5.204 -2.347 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.530 6.491 -0.665 1.00 0.00 C ATOM 0 H VAL A 21 3.631 7.749 0.323 1.00 0.00 H new ATOM 0 HA VAL A 21 4.233 7.377 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 21 1.733 6.950 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.060 4.517 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.436 5.286 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.571 4.827 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.719 5.779 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.155 6.158 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.113 7.471 -0.434 1.00 0.00 H new ATOM 305 N PRO A 22 2.861 9.455 -3.168 1.00 0.00 N ATOM 306 CA PRO A 22 2.434 10.817 -3.442 1.00 0.00 C ATOM 307 C PRO A 22 0.959 11.012 -3.087 1.00 0.00 C ATOM 308 O PRO A 22 0.088 10.353 -3.652 1.00 0.00 O ATOM 309 CB PRO A 22 2.722 11.028 -4.920 1.00 0.00 C ATOM 310 CG PRO A 22 2.863 9.639 -5.520 1.00 0.00 C ATOM 311 CD PRO A 22 3.011 8.649 -4.376 1.00 0.00 C ATOM 0 HA PRO A 22 2.962 11.554 -2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.914 11.581 -5.400 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.634 11.609 -5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.990 9.395 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.731 9.594 -6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.253 7.868 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.982 8.154 -4.404 1.00 0.00 H new ATOM 319 N ASP A 23 0.724 11.920 -2.151 1.00 0.00 N ATOM 320 CA ASP A 23 -0.631 12.210 -1.713 1.00 0.00 C ATOM 321 C ASP A 23 -1.497 12.536 -2.931 1.00 0.00 C ATOM 322 O ASP A 23 -2.718 12.396 -2.885 1.00 0.00 O ATOM 323 CB ASP A 23 -0.660 13.418 -0.775 1.00 0.00 C ATOM 324 CG ASP A 23 -2.003 14.147 -0.701 1.00 0.00 C ATOM 325 OD1 ASP A 23 -2.377 14.752 -1.728 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.624 14.083 0.382 1.00 0.00 O ATOM 0 H ASP A 23 1.449 12.464 -1.684 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.009 11.335 -1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.387 13.087 0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.104 14.126 -1.096 1.00 0.00 H new ATOM 331 N GLY A 24 -0.831 12.966 -3.993 1.00 0.00 N ATOM 332 CA GLY A 24 -1.525 13.313 -5.221 1.00 0.00 C ATOM 333 C GLY A 24 -1.951 12.057 -5.984 1.00 0.00 C ATOM 334 O GLY A 24 -2.619 12.149 -7.013 1.00 0.00 O ATOM 0 H GLY A 24 0.182 13.082 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.402 13.917 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.876 13.922 -5.850 1.00 0.00 H new ATOM 338 N MET A 25 -1.547 10.914 -5.451 1.00 0.00 N ATOM 339 CA MET A 25 -1.879 9.641 -6.069 1.00 0.00 C ATOM 340 C MET A 25 -2.598 8.722 -5.079 1.00 0.00 C ATOM 341 O MET A 25 -3.537 8.019 -5.448 1.00 0.00 O ATOM 342 CB MET A 25 -0.599 8.962 -6.559 1.00 0.00 C ATOM 343 CG MET A 25 0.043 9.759 -7.696 1.00 0.00 C ATOM 344 SD MET A 25 -1.100 9.907 -9.059 1.00 0.00 S ATOM 345 CE MET A 25 -1.038 8.241 -9.697 1.00 0.00 C ATOM 0 H MET A 25 -0.993 10.842 -4.598 1.00 0.00 H new ATOM 0 HA MET A 25 -2.545 9.830 -6.911 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.106 8.867 -5.733 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.827 7.952 -6.901 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.329 10.749 -7.341 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.956 9.264 -8.028 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.013 7.970 -10.103 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.287 8.181 -10.485 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.776 7.553 -8.893 1.00 0.00 H new ATOM 355 N VAL A 26 -2.129 8.758 -3.840 1.00 0.00 N ATOM 356 CA VAL A 26 -2.715 7.937 -2.794 1.00 0.00 C ATOM 357 C VAL A 26 -4.241 7.992 -2.903 1.00 0.00 C ATOM 358 O VAL A 26 -4.902 6.955 -2.928 1.00 0.00 O ATOM 359 CB VAL A 26 -2.197 8.384 -1.426 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.804 9.730 -1.023 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.470 7.319 -0.361 1.00 0.00 C ATOM 0 H VAL A 26 -1.350 9.343 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.418 6.895 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.117 8.512 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.419 10.025 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.537 10.486 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.889 9.639 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.092 7.662 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.543 7.144 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.969 6.391 -0.638 1.00 0.00 H new ATOM 371 N GLY A 27 -4.754 9.211 -2.966 1.00 0.00 N ATOM 372 CA GLY A 27 -6.189 9.415 -3.072 1.00 0.00 C ATOM 373 C GLY A 27 -6.797 8.490 -4.127 1.00 0.00 C ATOM 374 O GLY A 27 -7.946 8.069 -4.001 1.00 0.00 O ATOM 0 H GLY A 27 -4.202 10.068 -2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.659 9.229 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.394 10.453 -3.332 1.00 0.00 H new ATOM 378 N PHE A 28 -6.000 8.200 -5.144 1.00 0.00 N ATOM 379 CA PHE A 28 -6.445 7.332 -6.221 1.00 0.00 C ATOM 380 C PHE A 28 -6.046 5.879 -5.955 1.00 0.00 C ATOM 381 O PHE A 28 -6.640 4.957 -6.511 1.00 0.00 O ATOM 382 CB PHE A 28 -5.754 7.813 -7.499 1.00 0.00 C ATOM 383 CG PHE A 28 -5.595 6.728 -8.566 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.649 5.932 -8.888 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.400 6.561 -9.193 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.502 4.926 -9.879 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.252 5.555 -10.184 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.306 4.758 -10.506 1.00 0.00 C ATOM 0 H PHE A 28 -5.048 8.551 -5.245 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.531 7.372 -6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.325 8.641 -7.919 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.769 8.203 -7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.598 6.065 -8.390 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.563 7.194 -8.937 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.339 4.294 -10.135 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.303 5.423 -10.682 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.194 3.992 -11.259 1.00 0.00 H new ATOM 398 N ILE A 29 -5.042 5.721 -5.106 1.00 0.00 N ATOM 399 CA ILE A 29 -4.556 4.396 -4.759 1.00 0.00 C ATOM 400 C ILE A 29 -5.656 3.632 -4.019 1.00 0.00 C ATOM 401 O ILE A 29 -5.870 2.447 -4.270 1.00 0.00 O ATOM 402 CB ILE A 29 -3.243 4.493 -3.980 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.154 5.159 -4.823 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.810 3.120 -3.463 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.785 5.030 -4.150 1.00 0.00 C ATOM 0 H ILE A 29 -4.551 6.489 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.323 3.828 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.408 5.127 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.122 4.700 -5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.394 6.212 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.874 3.217 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.580 2.721 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.667 2.443 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.028 5.511 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.813 5.511 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.537 3.976 -4.029 1.00 0.00 H new ATOM 417 N ILE A 30 -6.324 4.341 -3.121 1.00 0.00 N ATOM 418 CA ILE A 30 -7.396 3.745 -2.343 1.00 0.00 C ATOM 419 C ILE A 30 -8.453 3.176 -3.291 1.00 0.00 C ATOM 420 O ILE A 30 -8.694 1.970 -3.306 1.00 0.00 O ATOM 421 CB ILE A 30 -7.951 4.753 -1.335 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.825 5.573 -0.701 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.816 4.057 -0.283 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.847 7.017 -1.206 1.00 0.00 C ATOM 0 H ILE A 30 -6.143 5.323 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.019 2.912 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.595 5.451 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.929 5.562 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.863 5.117 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.198 4.796 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.652 3.556 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.216 3.322 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.037 7.578 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.719 7.026 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.801 7.478 -0.950 1.00 0.00 H new ATOM 436 N GLY A 31 -9.056 4.072 -4.059 1.00 0.00 N ATOM 437 CA GLY A 31 -10.082 3.674 -5.008 1.00 0.00 C ATOM 438 C GLY A 31 -11.447 3.566 -4.326 1.00 0.00 C ATOM 439 O GLY A 31 -11.555 3.744 -3.113 1.00 0.00 O ATOM 0 H GLY A 31 -8.854 5.072 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.133 4.400 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.818 2.715 -5.454 1.00 0.00 H new ATOM 481 N GLU A 35 -11.039 -0.016 -2.922 1.00 0.00 N ATOM 482 CA GLU A 35 -11.040 -1.218 -3.738 1.00 0.00 C ATOM 483 C GLU A 35 -9.772 -1.280 -4.592 1.00 0.00 C ATOM 484 O GLU A 35 -9.252 -2.362 -4.861 1.00 0.00 O ATOM 485 CB GLU A 35 -12.293 -1.287 -4.612 1.00 0.00 C ATOM 486 CG GLU A 35 -12.219 -2.466 -5.585 1.00 0.00 C ATOM 487 CD GLU A 35 -13.576 -3.162 -5.707 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.457 -2.576 -6.373 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.702 -4.265 -5.131 1.00 0.00 O ATOM 0 HA GLU A 35 -11.052 -2.083 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.176 -1.387 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.403 -0.357 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.898 -2.114 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.470 -3.179 -5.241 1.00 0.00 H new ATOM 496 N GLN A 36 -9.310 -0.105 -4.995 1.00 0.00 N ATOM 497 CA GLN A 36 -8.113 -0.012 -5.814 1.00 0.00 C ATOM 498 C GLN A 36 -6.917 -0.616 -5.075 1.00 0.00 C ATOM 499 O GLN A 36 -6.096 -1.307 -5.677 1.00 0.00 O ATOM 500 CB GLN A 36 -7.835 1.437 -6.215 1.00 0.00 C ATOM 501 CG GLN A 36 -6.528 1.547 -7.004 1.00 0.00 C ATOM 502 CD GLN A 36 -6.802 1.829 -8.483 1.00 0.00 C ATOM 503 OE1 GLN A 36 -7.936 1.916 -8.925 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.703 1.966 -9.219 1.00 0.00 N ATOM 0 H GLN A 36 -9.743 0.791 -4.770 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.276 -0.582 -6.729 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.661 1.816 -6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.779 2.061 -5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.913 2.344 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.961 0.621 -6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.784 1.881 -8.784 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.779 2.156 -10.218 1.00 0.00 H new ATOM 513 N ILE A 37 -6.857 -0.334 -3.782 1.00 0.00 N ATOM 514 CA ILE A 37 -5.775 -0.840 -2.955 1.00 0.00 C ATOM 515 C ILE A 37 -6.014 -2.322 -2.661 1.00 0.00 C ATOM 516 O ILE A 37 -5.094 -3.134 -2.753 1.00 0.00 O ATOM 517 CB ILE A 37 -5.614 0.018 -1.699 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.293 -0.291 -0.990 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.816 -0.143 -0.767 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.121 0.400 -1.689 1.00 0.00 C ATOM 0 H ILE A 37 -7.540 0.239 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.825 -0.769 -3.485 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.580 1.064 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.347 0.038 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.128 -1.368 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.676 0.478 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.723 0.165 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.907 -1.187 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.195 0.164 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.055 0.050 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.278 1.479 -1.681 1.00 0.00 H new ATOM 532 N SER A 38 -7.255 -2.631 -2.313 1.00 0.00 N ATOM 533 CA SER A 38 -7.627 -4.001 -2.005 1.00 0.00 C ATOM 534 C SER A 38 -7.023 -4.953 -3.040 1.00 0.00 C ATOM 535 O SER A 38 -6.446 -5.978 -2.683 1.00 0.00 O ATOM 536 CB SER A 38 -9.148 -4.162 -1.960 1.00 0.00 C ATOM 537 OG SER A 38 -9.534 -5.483 -1.590 1.00 0.00 O ATOM 0 H SER A 38 -8.016 -1.955 -2.238 1.00 0.00 H new ATOM 0 HA SER A 38 -7.233 -4.249 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.567 -3.449 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.567 -3.922 -2.937 1.00 0.00 H new ATOM 0 HG SER A 38 -10.512 -5.545 -1.571 1.00 0.00 H new ATOM 543 N ARG A 39 -7.177 -4.579 -4.301 1.00 0.00 N ATOM 544 CA ARG A 39 -6.655 -5.386 -5.390 1.00 0.00 C ATOM 545 C ARG A 39 -5.139 -5.546 -5.253 1.00 0.00 C ATOM 546 O ARG A 39 -4.590 -6.597 -5.579 1.00 0.00 O ATOM 547 CB ARG A 39 -6.973 -4.754 -6.747 1.00 0.00 C ATOM 548 CG ARG A 39 -7.695 -5.747 -7.659 1.00 0.00 C ATOM 549 CD ARG A 39 -8.863 -5.076 -8.384 1.00 0.00 C ATOM 550 NE ARG A 39 -10.104 -5.855 -8.176 1.00 0.00 N ATOM 551 CZ ARG A 39 -10.262 -7.131 -8.553 1.00 0.00 C ATOM 552 NH1 ARG A 39 -9.259 -7.779 -9.161 1.00 0.00 N ATOM 553 NH2 ARG A 39 -11.423 -7.759 -8.323 1.00 0.00 N ATOM 0 H ARG A 39 -7.656 -3.727 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.134 -6.364 -5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.593 -3.869 -6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.050 -4.422 -7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.994 -6.152 -8.389 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.062 -6.587 -7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.996 -4.060 -8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.645 -5.001 -9.449 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.888 -5.392 -7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.375 -7.301 -9.337 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.379 -8.750 -9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.187 -7.266 -7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.543 -8.730 -8.610 1.00 0.00 H new ATOM 567 N ILE A 40 -4.506 -4.487 -4.769 1.00 0.00 N ATOM 568 CA ILE A 40 -3.065 -4.497 -4.584 1.00 0.00 C ATOM 569 C ILE A 40 -2.717 -5.359 -3.369 1.00 0.00 C ATOM 570 O ILE A 40 -1.701 -6.054 -3.367 1.00 0.00 O ATOM 571 CB ILE A 40 -2.526 -3.068 -4.499 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.056 -2.212 -5.651 1.00 0.00 C ATOM 573 CG2 ILE A 40 -0.997 -3.061 -4.435 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.728 -0.734 -5.432 1.00 0.00 C ATOM 0 H ILE A 40 -4.965 -3.617 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.573 -4.948 -5.446 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.889 -2.621 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.619 -2.550 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.135 -2.340 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.640 -2.033 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.667 -3.611 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.593 -3.534 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.116 -0.148 -6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.187 -0.393 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.647 -0.606 -5.371 1.00 0.00 H new ATOM 586 N GLN A 41 -3.579 -5.287 -2.366 1.00 0.00 N ATOM 587 CA GLN A 41 -3.375 -6.052 -1.147 1.00 0.00 C ATOM 588 C GLN A 41 -3.604 -7.541 -1.411 1.00 0.00 C ATOM 589 O GLN A 41 -2.934 -8.390 -0.825 1.00 0.00 O ATOM 590 CB GLN A 41 -4.284 -5.548 -0.025 1.00 0.00 C ATOM 591 CG GLN A 41 -3.783 -4.213 0.530 1.00 0.00 C ATOM 592 CD GLN A 41 -4.812 -3.591 1.475 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.749 -3.735 2.685 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.761 -2.892 0.858 1.00 0.00 N ATOM 0 H GLN A 41 -4.421 -4.711 -2.372 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.343 -5.915 -0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.300 -5.431 -0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.323 -6.287 0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.843 -4.365 1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.578 -3.527 -0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.755 -2.811 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.494 -2.437 1.402 1.00 0.00 H new ATOM 603 N GLN A 42 -4.554 -7.814 -2.295 1.00 0.00 N ATOM 604 CA GLN A 42 -4.879 -9.186 -2.644 1.00 0.00 C ATOM 605 C GLN A 42 -3.914 -9.706 -3.711 1.00 0.00 C ATOM 606 O GLN A 42 -3.521 -10.871 -3.683 1.00 0.00 O ATOM 607 CB GLN A 42 -6.331 -9.303 -3.113 1.00 0.00 C ATOM 608 CG GLN A 42 -7.299 -9.194 -1.934 1.00 0.00 C ATOM 609 CD GLN A 42 -8.327 -10.327 -1.963 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.070 -11.445 -1.547 1.00 0.00 O ATOM 611 NE2 GLN A 42 -9.503 -9.977 -2.476 1.00 0.00 N ATOM 0 H GLN A 42 -5.108 -7.108 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.769 -9.803 -1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.547 -8.519 -3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.477 -10.256 -3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.742 -9.227 -0.997 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.811 -8.232 -1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.652 -9.023 -2.806 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.256 -10.662 -2.539 1.00 0.00 H new ATOM 620 N GLU A 43 -3.561 -8.816 -4.627 1.00 0.00 N ATOM 621 CA GLU A 43 -2.649 -9.171 -5.702 1.00 0.00 C ATOM 622 C GLU A 43 -1.345 -9.728 -5.129 1.00 0.00 C ATOM 623 O GLU A 43 -0.951 -10.849 -5.449 1.00 0.00 O ATOM 624 CB GLU A 43 -2.380 -7.969 -6.611 1.00 0.00 C ATOM 625 CG GLU A 43 -3.332 -7.963 -7.808 1.00 0.00 C ATOM 626 CD GLU A 43 -2.931 -9.026 -8.833 1.00 0.00 C ATOM 627 OE1 GLU A 43 -1.921 -8.789 -9.531 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.643 -10.051 -8.896 1.00 0.00 O ATOM 0 H GLU A 43 -3.890 -7.851 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.117 -9.947 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.498 -7.046 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.349 -7.998 -6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.351 -8.147 -7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.325 -6.979 -8.277 1.00 0.00 H new ATOM 635 N SER A 44 -0.710 -8.921 -4.292 1.00 0.00 N ATOM 636 CA SER A 44 0.542 -9.320 -3.672 1.00 0.00 C ATOM 637 C SER A 44 0.263 -10.103 -2.388 1.00 0.00 C ATOM 638 O SER A 44 1.129 -10.825 -1.896 1.00 0.00 O ATOM 639 CB SER A 44 1.420 -8.103 -3.372 1.00 0.00 C ATOM 640 OG SER A 44 0.802 -7.214 -2.446 1.00 0.00 O ATOM 0 H SER A 44 -1.039 -7.992 -4.029 1.00 0.00 H new ATOM 0 HA SER A 44 1.081 -9.960 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.377 -8.437 -2.971 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.631 -7.571 -4.300 1.00 0.00 H new ATOM 0 HG SER A 44 0.013 -6.806 -2.861 1.00 0.00 H new ATOM 646 N GLY A 45 -0.949 -9.934 -1.880 1.00 0.00 N ATOM 647 CA GLY A 45 -1.353 -10.616 -0.663 1.00 0.00 C ATOM 648 C GLY A 45 -0.655 -10.015 0.559 1.00 0.00 C ATOM 649 O GLY A 45 -0.535 -10.669 1.594 1.00 0.00 O ATOM 0 H GLY A 45 -1.665 -9.334 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.434 -10.542 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.112 -11.676 -0.739 1.00 0.00 H new ATOM 653 N CYS A 46 -0.215 -8.776 0.399 1.00 0.00 N ATOM 654 CA CYS A 46 0.467 -8.079 1.477 1.00 0.00 C ATOM 655 C CYS A 46 -0.509 -7.074 2.092 1.00 0.00 C ATOM 656 O CYS A 46 -1.473 -6.665 1.447 1.00 0.00 O ATOM 657 CB CYS A 46 1.751 -7.404 0.990 1.00 0.00 C ATOM 658 SG CYS A 46 3.096 -7.670 2.203 1.00 0.00 S ATOM 0 H CYS A 46 -0.317 -8.236 -0.461 1.00 0.00 H new ATOM 0 HA CYS A 46 0.777 -8.795 2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.039 -7.809 0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.581 -6.336 0.852 1.00 0.00 H new ATOM 0 HG CYS A 46 3.233 -6.607 2.939 1.00 0.00 H new ATOM 664 N LYS A 47 -0.224 -6.705 3.333 1.00 0.00 N ATOM 665 CA LYS A 47 -1.065 -5.755 4.042 1.00 0.00 C ATOM 666 C LYS A 47 -0.571 -4.335 3.762 1.00 0.00 C ATOM 667 O LYS A 47 0.631 -4.106 3.635 1.00 0.00 O ATOM 668 CB LYS A 47 -1.127 -6.103 5.531 1.00 0.00 C ATOM 669 CG LYS A 47 -2.432 -5.605 6.156 1.00 0.00 C ATOM 670 CD LYS A 47 -2.863 -6.507 7.315 1.00 0.00 C ATOM 671 CE LYS A 47 -2.398 -5.937 8.656 1.00 0.00 C ATOM 672 NZ LYS A 47 -3.055 -6.646 9.776 1.00 0.00 N ATOM 0 H LYS A 47 0.577 -7.046 3.865 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.092 -5.812 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.047 -7.182 5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.278 -5.656 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.302 -4.584 6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.216 -5.580 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.948 -6.610 7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.448 -7.506 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.316 -6.032 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.629 -4.873 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.728 -6.247 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.086 -6.534 9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.813 -7.657 9.737 1.00 0.00 H new ATOM 686 N ILE A 48 -1.523 -3.418 3.675 1.00 0.00 N ATOM 687 CA ILE A 48 -1.199 -2.026 3.412 1.00 0.00 C ATOM 688 C ILE A 48 -2.033 -1.131 4.331 1.00 0.00 C ATOM 689 O ILE A 48 -3.232 -0.958 4.114 1.00 0.00 O ATOM 690 CB ILE A 48 -1.368 -1.708 1.925 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.374 -2.505 1.078 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.260 -0.203 1.670 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.929 -2.756 -0.326 1.00 0.00 C ATOM 0 H ILE A 48 -2.519 -3.611 3.782 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.151 -1.829 3.639 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.369 -2.015 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.568 -1.962 1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.158 -3.457 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.384 -0.005 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.038 0.317 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.281 0.152 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.203 -3.324 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.859 -3.321 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.121 -1.802 -0.817 1.00 0.00 H new ATOM 705 N GLN A 49 -1.367 -0.585 5.337 1.00 0.00 N ATOM 706 CA GLN A 49 -2.032 0.288 6.290 1.00 0.00 C ATOM 707 C GLN A 49 -1.710 1.752 5.982 1.00 0.00 C ATOM 708 O GLN A 49 -0.640 2.244 6.339 1.00 0.00 O ATOM 709 CB GLN A 49 -1.642 -0.069 7.725 1.00 0.00 C ATOM 710 CG GLN A 49 -2.535 -1.184 8.274 1.00 0.00 C ATOM 711 CD GLN A 49 -3.141 -0.788 9.622 1.00 0.00 C ATOM 712 OE1 GLN A 49 -2.456 -0.371 10.541 1.00 0.00 O ATOM 713 NE2 GLN A 49 -4.461 -0.941 9.687 1.00 0.00 N ATOM 0 H GLN A 49 -0.373 -0.730 5.514 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.108 0.145 6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.599 -0.385 7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.725 0.814 8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.332 -1.400 7.562 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.953 -2.098 8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.974 -1.295 8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.960 -0.704 10.544 1.00 0.00 H new ATOM 722 N ILE A 50 -2.655 2.407 5.324 1.00 0.00 N ATOM 723 CA ILE A 50 -2.485 3.804 4.964 1.00 0.00 C ATOM 724 C ILE A 50 -3.189 4.682 6.002 1.00 0.00 C ATOM 725 O ILE A 50 -4.374 4.498 6.274 1.00 0.00 O ATOM 726 CB ILE A 50 -2.957 4.050 3.530 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.498 2.924 2.601 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.505 5.424 3.032 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.834 3.244 1.143 1.00 0.00 C ATOM 0 H ILE A 50 -3.541 1.996 5.031 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.429 4.075 4.978 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.047 4.048 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.423 2.777 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.978 1.990 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.854 5.573 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.922 6.199 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.417 5.480 3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.497 2.428 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.912 3.367 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.333 4.166 0.848 1.00 0.00 H new ATOM 741 N ALA A 51 -2.428 5.617 6.552 1.00 0.00 N ATOM 742 CA ALA A 51 -2.964 6.524 7.553 1.00 0.00 C ATOM 743 C ALA A 51 -4.025 7.418 6.910 1.00 0.00 C ATOM 744 O ALA A 51 -4.048 7.582 5.691 1.00 0.00 O ATOM 745 CB ALA A 51 -1.821 7.329 8.176 1.00 0.00 C ATOM 0 H ALA A 51 -1.445 5.766 6.324 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.447 5.967 8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.222 8.010 8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.111 6.649 8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.315 7.903 7.400 1.00 0.00 H new ATOM 821 N PRO A 58 4.049 15.582 2.257 1.00 0.00 N ATOM 822 CA PRO A 58 4.163 15.497 0.811 1.00 0.00 C ATOM 823 C PRO A 58 3.858 14.080 0.320 1.00 0.00 C ATOM 824 O PRO A 58 3.379 13.897 -0.798 1.00 0.00 O ATOM 825 CB PRO A 58 5.583 15.941 0.501 1.00 0.00 C ATOM 826 CG PRO A 58 6.353 15.812 1.805 1.00 0.00 C ATOM 827 CD PRO A 58 5.344 15.643 2.929 1.00 0.00 C ATOM 0 HA PRO A 58 3.441 16.129 0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.026 15.319 -0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.601 16.968 0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.028 14.957 1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.968 16.696 1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.537 14.735 3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.388 16.477 3.630 1.00 0.00 H new ATOM 835 N GLU A 59 4.149 13.115 1.179 1.00 0.00 N ATOM 836 CA GLU A 59 3.913 11.720 0.847 1.00 0.00 C ATOM 837 C GLU A 59 3.140 11.030 1.973 1.00 0.00 C ATOM 838 O GLU A 59 3.413 11.260 3.150 1.00 0.00 O ATOM 839 CB GLU A 59 5.228 10.995 0.560 1.00 0.00 C ATOM 840 CG GLU A 59 5.880 11.526 -0.718 1.00 0.00 C ATOM 841 CD GLU A 59 7.315 11.985 -0.452 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.198 11.100 -0.427 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.497 13.209 -0.279 1.00 0.00 O ATOM 0 H GLU A 59 4.546 13.271 2.105 1.00 0.00 H new ATOM 0 HA GLU A 59 3.309 11.679 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.910 11.124 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.043 9.925 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.879 10.748 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.295 12.358 -1.110 1.00 0.00 H new ATOM 850 N ARG A 60 2.190 10.198 1.571 1.00 0.00 N ATOM 851 CA ARG A 60 1.376 9.473 2.532 1.00 0.00 C ATOM 852 C ARG A 60 2.081 8.184 2.959 1.00 0.00 C ATOM 853 O ARG A 60 2.297 7.290 2.142 1.00 0.00 O ATOM 854 CB ARG A 60 0.007 9.126 1.942 1.00 0.00 C ATOM 855 CG ARG A 60 -0.736 8.128 2.833 1.00 0.00 C ATOM 856 CD ARG A 60 -1.482 8.848 3.959 1.00 0.00 C ATOM 857 NE ARG A 60 -0.608 8.971 5.147 1.00 0.00 N ATOM 858 CZ ARG A 60 -1.025 9.400 6.345 1.00 0.00 C ATOM 859 NH1 ARG A 60 -2.306 9.750 6.523 1.00 0.00 N ATOM 860 NH2 ARG A 60 -0.162 9.480 7.367 1.00 0.00 N ATOM 0 H ARG A 60 1.966 10.010 0.594 1.00 0.00 H new ATOM 0 HA ARG A 60 1.233 10.117 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.587 10.034 1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.133 8.705 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.442 7.555 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.028 7.417 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.796 9.837 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.386 8.297 4.218 1.00 0.00 H new ATOM 0 HE ARG A 60 0.374 8.713 5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.964 9.690 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.623 10.077 7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.814 9.214 7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.481 9.807 8.279 1.00 0.00 H new ATOM 874 N SER A 61 2.420 8.129 4.239 1.00 0.00 N ATOM 875 CA SER A 61 3.096 6.964 4.784 1.00 0.00 C ATOM 876 C SER A 61 2.152 5.760 4.776 1.00 0.00 C ATOM 877 O SER A 61 0.994 5.871 5.174 1.00 0.00 O ATOM 878 CB SER A 61 3.599 7.234 6.203 1.00 0.00 C ATOM 879 OG SER A 61 4.486 6.215 6.658 1.00 0.00 O ATOM 0 H SER A 61 2.239 8.872 4.914 1.00 0.00 H new ATOM 0 HA SER A 61 3.960 6.745 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.109 8.197 6.230 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.749 7.304 6.882 1.00 0.00 H new ATOM 0 HG SER A 61 5.250 6.626 7.114 1.00 0.00 H new ATOM 885 N CYS A 62 2.683 4.635 4.317 1.00 0.00 N ATOM 886 CA CYS A 62 1.903 3.412 4.252 1.00 0.00 C ATOM 887 C CYS A 62 2.734 2.279 4.856 1.00 0.00 C ATOM 888 O CYS A 62 3.831 1.987 4.382 1.00 0.00 O ATOM 889 CB CYS A 62 1.464 3.096 2.820 1.00 0.00 C ATOM 890 SG CYS A 62 0.467 4.477 2.152 1.00 0.00 S ATOM 0 H CYS A 62 3.644 4.546 3.987 1.00 0.00 H new ATOM 0 HA CYS A 62 0.984 3.533 4.826 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.339 2.930 2.191 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.881 2.175 2.804 1.00 0.00 H new ATOM 0 HG CYS A 62 1.185 5.561 2.132 1.00 0.00 H new ATOM 896 N MET A 63 2.181 1.671 5.896 1.00 0.00 N ATOM 897 CA MET A 63 2.858 0.577 6.571 1.00 0.00 C ATOM 898 C MET A 63 2.447 -0.772 5.976 1.00 0.00 C ATOM 899 O MET A 63 1.272 -1.135 6.004 1.00 0.00 O ATOM 900 CB MET A 63 2.512 0.604 8.061 1.00 0.00 C ATOM 901 CG MET A 63 3.011 1.894 8.715 1.00 0.00 C ATOM 902 SD MET A 63 4.774 2.055 8.483 1.00 0.00 S ATOM 903 CE MET A 63 5.350 0.771 9.581 1.00 0.00 C ATOM 0 H MET A 63 1.271 1.916 6.287 1.00 0.00 H new ATOM 0 HA MET A 63 3.933 0.701 6.436 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.433 0.521 8.189 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.959 -0.257 8.558 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.499 2.753 8.281 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.775 1.887 9.779 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.435 0.826 9.668 1.00 0.00 H new ATOM 0 HE2 MET A 63 4.900 0.905 10.565 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.067 -0.203 9.182 1.00 0.00 H new ATOM 913 N LEU A 64 3.438 -1.478 5.452 1.00 0.00 N ATOM 914 CA LEU A 64 3.195 -2.778 4.852 1.00 0.00 C ATOM 915 C LEU A 64 3.542 -3.874 5.861 1.00 0.00 C ATOM 916 O LEU A 64 4.459 -3.714 6.665 1.00 0.00 O ATOM 917 CB LEU A 64 3.944 -2.905 3.524 1.00 0.00 C ATOM 918 CG LEU A 64 3.641 -1.830 2.477 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.873 -0.965 2.206 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.085 -2.455 1.196 1.00 0.00 C ATOM 0 H LEU A 64 4.411 -1.174 5.431 1.00 0.00 H new ATOM 0 HA LEU A 64 2.139 -2.892 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.014 -2.891 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.715 -3.879 3.092 1.00 0.00 H new ATOM 0 HG LEU A 64 2.869 -1.172 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.630 -0.210 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.184 -0.475 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.684 -1.593 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.878 -1.670 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.817 -3.149 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.164 -2.991 1.423 1.00 0.00 H new ATOM 932 N THR A 65 2.792 -4.963 5.786 1.00 0.00 N ATOM 933 CA THR A 65 3.009 -6.086 6.683 1.00 0.00 C ATOM 934 C THR A 65 2.750 -7.407 5.957 1.00 0.00 C ATOM 935 O THR A 65 1.668 -7.617 5.411 1.00 0.00 O ATOM 936 CB THR A 65 2.124 -5.885 7.914 1.00 0.00 C ATOM 937 OG1 THR A 65 2.514 -4.610 8.418 1.00 0.00 O ATOM 938 CG2 THR A 65 2.468 -6.854 9.047 1.00 0.00 C ATOM 0 H THR A 65 2.033 -5.092 5.117 1.00 0.00 H new ATOM 0 HA THR A 65 4.046 -6.133 7.015 1.00 0.00 H new ATOM 0 HB THR A 65 1.078 -6.011 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.988 -4.399 9.217 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.811 -6.669 9.896 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.335 -7.879 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.504 -6.705 9.351 1.00 0.00 H new ATOM 946 N GLY A 66 3.761 -8.263 5.974 1.00 0.00 N ATOM 947 CA GLY A 66 3.655 -9.558 5.324 1.00 0.00 C ATOM 948 C GLY A 66 5.019 -10.027 4.811 1.00 0.00 C ATOM 949 O GLY A 66 6.053 -9.492 5.208 1.00 0.00 O ATOM 0 H GLY A 66 4.657 -8.085 6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.255 -10.290 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.952 -9.496 4.494 1.00 0.00 H new ATOM 953 N THR A 67 4.976 -11.021 3.936 1.00 0.00 N ATOM 954 CA THR A 67 6.195 -11.568 3.365 1.00 0.00 C ATOM 955 C THR A 67 6.984 -10.473 2.644 1.00 0.00 C ATOM 956 O THR A 67 6.440 -9.416 2.327 1.00 0.00 O ATOM 957 CB THR A 67 5.809 -12.736 2.456 1.00 0.00 C ATOM 958 OG1 THR A 67 4.658 -12.268 1.758 1.00 0.00 O ATOM 959 CG2 THR A 67 5.300 -13.946 3.242 1.00 0.00 C ATOM 0 H THR A 67 4.116 -11.462 3.609 1.00 0.00 H new ATOM 0 HA THR A 67 6.860 -11.947 4.141 1.00 0.00 H new ATOM 0 HB THR A 67 6.671 -13.028 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.770 -12.428 0.798 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.040 -14.746 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.079 -14.293 3.921 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.418 -13.662 3.816 1.00 0.00 H new ATOM 967 N PRO A 68 8.289 -10.770 2.400 1.00 0.00 N ATOM 968 CA PRO A 68 9.158 -9.823 1.723 1.00 0.00 C ATOM 969 C PRO A 68 8.853 -9.774 0.224 1.00 0.00 C ATOM 970 O PRO A 68 8.801 -8.696 -0.367 1.00 0.00 O ATOM 971 CB PRO A 68 10.569 -10.299 2.026 1.00 0.00 C ATOM 972 CG PRO A 68 10.435 -11.747 2.467 1.00 0.00 C ATOM 973 CD PRO A 68 8.968 -12.011 2.761 1.00 0.00 C ATOM 0 HA PRO A 68 9.014 -8.799 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.206 -10.216 1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.026 -9.693 2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.795 -12.418 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.041 -11.934 3.353 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.592 -12.852 2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.813 -12.256 3.812 1.00 0.00 H new ATOM 981 N GLU A 69 8.658 -10.953 -0.347 1.00 0.00 N ATOM 982 CA GLU A 69 8.360 -11.058 -1.765 1.00 0.00 C ATOM 983 C GLU A 69 6.994 -10.438 -2.067 1.00 0.00 C ATOM 984 O GLU A 69 6.664 -10.188 -3.225 1.00 0.00 O ATOM 985 CB GLU A 69 8.416 -12.514 -2.232 1.00 0.00 C ATOM 986 CG GLU A 69 9.663 -12.769 -3.081 1.00 0.00 C ATOM 987 CD GLU A 69 9.395 -12.461 -4.556 1.00 0.00 C ATOM 988 OE1 GLU A 69 9.217 -11.262 -4.861 1.00 0.00 O ATOM 989 OE2 GLU A 69 9.373 -13.431 -5.343 1.00 0.00 O ATOM 0 H GLU A 69 8.701 -11.844 0.147 1.00 0.00 H new ATOM 0 HA GLU A 69 9.120 -10.505 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.418 -13.177 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.523 -12.749 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.485 -12.151 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.974 -13.808 -2.974 1.00 0.00 H new ATOM 996 N SER A 70 6.236 -10.208 -1.005 1.00 0.00 N ATOM 997 CA SER A 70 4.913 -9.623 -1.141 1.00 0.00 C ATOM 998 C SER A 70 5.000 -8.100 -1.024 1.00 0.00 C ATOM 999 O SER A 70 4.351 -7.377 -1.778 1.00 0.00 O ATOM 1000 CB SER A 70 3.952 -10.182 -0.091 1.00 0.00 C ATOM 1001 OG SER A 70 3.433 -11.455 -0.466 1.00 0.00 O ATOM 0 H SER A 70 6.513 -10.416 -0.046 1.00 0.00 H new ATOM 0 HA SER A 70 4.524 -9.884 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.469 -10.269 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.128 -9.483 0.055 1.00 0.00 H new ATOM 0 HG SER A 70 2.616 -11.333 -0.994 1.00 0.00 H new ATOM 1007 N VAL A 71 5.808 -7.657 -0.072 1.00 0.00 N ATOM 1008 CA VAL A 71 5.989 -6.233 0.154 1.00 0.00 C ATOM 1009 C VAL A 71 6.568 -5.590 -1.108 1.00 0.00 C ATOM 1010 O VAL A 71 6.210 -4.466 -1.456 1.00 0.00 O ATOM 1011 CB VAL A 71 6.857 -6.006 1.393 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.463 -4.601 1.388 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.059 -6.254 2.675 1.00 0.00 C ATOM 0 H VAL A 71 6.345 -8.259 0.552 1.00 0.00 H new ATOM 0 HA VAL A 71 5.031 -5.753 0.353 1.00 0.00 H new ATOM 0 HB VAL A 71 7.676 -6.725 1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.075 -4.466 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.082 -4.475 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.664 -3.860 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.700 -6.086 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.210 -5.571 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.698 -7.282 2.685 1.00 0.00 H new ATOM 1023 N GLN A 72 7.453 -6.331 -1.758 1.00 0.00 N ATOM 1024 CA GLN A 72 8.086 -5.847 -2.973 1.00 0.00 C ATOM 1025 C GLN A 72 7.077 -5.827 -4.124 1.00 0.00 C ATOM 1026 O GLN A 72 6.951 -4.825 -4.826 1.00 0.00 O ATOM 1027 CB GLN A 72 9.308 -6.695 -3.330 1.00 0.00 C ATOM 1028 CG GLN A 72 10.603 -5.989 -2.922 1.00 0.00 C ATOM 1029 CD GLN A 72 11.456 -6.885 -2.022 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.029 -7.929 -1.558 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.684 -6.421 -1.804 1.00 0.00 N ATOM 0 H GLN A 72 7.747 -7.263 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 72 8.431 -4.828 -2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.243 -7.661 -2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.319 -6.891 -4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.170 -5.717 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.367 -5.062 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.978 -5.539 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.331 -6.947 -1.217 1.00 0.00 H new ATOM 1040 N SER A 73 6.386 -6.947 -4.282 1.00 0.00 N ATOM 1041 CA SER A 73 5.393 -7.071 -5.336 1.00 0.00 C ATOM 1042 C SER A 73 4.340 -5.970 -5.194 1.00 0.00 C ATOM 1043 O SER A 73 4.020 -5.284 -6.163 1.00 0.00 O ATOM 1044 CB SER A 73 4.729 -8.448 -5.307 1.00 0.00 C ATOM 1045 OG SER A 73 5.687 -9.503 -5.306 1.00 0.00 O ATOM 0 H SER A 73 6.494 -7.776 -3.698 1.00 0.00 H new ATOM 0 HA SER A 73 5.897 -6.961 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.100 -8.529 -4.420 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.075 -8.553 -6.172 1.00 0.00 H new ATOM 0 HG SER A 73 5.699 -9.933 -4.426 1.00 0.00 H new ATOM 1051 N ALA A 74 3.830 -5.836 -3.978 1.00 0.00 N ATOM 1052 CA ALA A 74 2.819 -4.831 -3.697 1.00 0.00 C ATOM 1053 C ALA A 74 3.369 -3.448 -4.052 1.00 0.00 C ATOM 1054 O ALA A 74 2.724 -2.684 -4.767 1.00 0.00 O ATOM 1055 CB ALA A 74 2.393 -4.931 -2.231 1.00 0.00 C ATOM 0 H ALA A 74 4.098 -6.407 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 74 1.931 -4.999 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.635 -4.177 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.983 -5.922 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.258 -4.765 -1.589 1.00 0.00 H new ATOM 1061 N LYS A 75 4.556 -3.168 -3.534 1.00 0.00 N ATOM 1062 CA LYS A 75 5.201 -1.891 -3.786 1.00 0.00 C ATOM 1063 C LYS A 75 5.137 -1.579 -5.283 1.00 0.00 C ATOM 1064 O LYS A 75 4.700 -0.499 -5.678 1.00 0.00 O ATOM 1065 CB LYS A 75 6.621 -1.885 -3.217 1.00 0.00 C ATOM 1066 CG LYS A 75 6.619 -1.482 -1.741 1.00 0.00 C ATOM 1067 CD LYS A 75 7.847 -2.039 -1.019 1.00 0.00 C ATOM 1068 CE LYS A 75 9.095 -1.216 -1.345 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.449 -1.356 -2.776 1.00 0.00 N ATOM 0 H LYS A 75 5.088 -3.804 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 75 4.673 -1.090 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.065 -2.875 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.242 -1.193 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.605 -0.395 -1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.712 -1.850 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.674 -2.033 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.005 -3.077 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.918 -0.167 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.928 -1.546 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.482 -1.308 -2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.106 -2.271 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.008 -0.587 -3.320 1.00 0.00 H new ATOM 1083 N ARG A 76 5.578 -2.545 -6.075 1.00 0.00 N ATOM 1084 CA ARG A 76 5.577 -2.387 -7.520 1.00 0.00 C ATOM 1085 C ARG A 76 4.197 -1.934 -8.003 1.00 0.00 C ATOM 1086 O ARG A 76 4.092 -1.043 -8.845 1.00 0.00 O ATOM 1087 CB ARG A 76 5.948 -3.697 -8.217 1.00 0.00 C ATOM 1088 CG ARG A 76 7.387 -4.103 -7.892 1.00 0.00 C ATOM 1089 CD ARG A 76 8.358 -3.580 -8.953 1.00 0.00 C ATOM 1090 NE ARG A 76 9.665 -4.262 -8.824 1.00 0.00 N ATOM 1091 CZ ARG A 76 9.895 -5.523 -9.211 1.00 0.00 C ATOM 1092 NH1 ARG A 76 8.908 -6.248 -9.755 1.00 0.00 N ATOM 1093 NH2 ARG A 76 11.113 -6.060 -9.055 1.00 0.00 N ATOM 0 H ARG A 76 5.938 -3.440 -5.744 1.00 0.00 H new ATOM 0 HA ARG A 76 6.321 -1.631 -7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.264 -4.486 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.833 -3.585 -9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.667 -3.712 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.458 -5.189 -7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.947 -3.749 -9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.488 -2.504 -8.840 1.00 0.00 H new ATOM 0 HE ARG A 76 10.439 -3.739 -8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.981 -5.839 -9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.084 -7.209 -10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.865 -5.508 -8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.288 -7.021 -9.350 1.00 0.00 H new ATOM 1107 N LEU A 77 3.174 -2.567 -7.448 1.00 0.00 N ATOM 1108 CA LEU A 77 1.806 -2.240 -7.812 1.00 0.00 C ATOM 1109 C LEU A 77 1.503 -0.798 -7.397 1.00 0.00 C ATOM 1110 O LEU A 77 0.909 -0.040 -8.162 1.00 0.00 O ATOM 1111 CB LEU A 77 0.835 -3.265 -7.224 1.00 0.00 C ATOM 1112 CG LEU A 77 0.834 -4.645 -7.886 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.180 -5.688 -6.978 1.00 0.00 C ATOM 1114 CD2 LEU A 77 0.175 -4.591 -9.265 1.00 0.00 C ATOM 0 H LEU A 77 3.265 -3.304 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 77 1.676 -2.296 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.068 -3.391 -6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.173 -2.855 -7.282 1.00 0.00 H new ATOM 0 HG LEU A 77 1.869 -4.953 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.192 -6.659 -7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.732 -5.751 -6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.851 -5.398 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.188 -5.584 -9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.856 -4.252 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.723 -3.898 -9.903 1.00 0.00 H new ATOM 1126 N LEU A 78 1.926 -0.463 -6.187 1.00 0.00 N ATOM 1127 CA LEU A 78 1.708 0.874 -5.662 1.00 0.00 C ATOM 1128 C LEU A 78 2.420 1.891 -6.556 1.00 0.00 C ATOM 1129 O LEU A 78 1.779 2.757 -7.149 1.00 0.00 O ATOM 1130 CB LEU A 78 2.128 0.947 -4.192 1.00 0.00 C ATOM 1131 CG LEU A 78 1.302 0.107 -3.216 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.825 0.256 -1.786 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.186 0.450 -3.321 1.00 0.00 C ATOM 0 H LEU A 78 2.419 -1.094 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 78 0.647 1.122 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.170 0.636 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.082 1.988 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 78 1.411 -0.942 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.220 -0.351 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.862 -0.076 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.766 1.302 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.751 -0.161 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.334 1.504 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.535 0.251 -4.335 1.00 0.00 H new ATOM 1145 N ASP A 79 3.736 1.752 -6.625 1.00 0.00 N ATOM 1146 CA ASP A 79 4.541 2.648 -7.437 1.00 0.00 C ATOM 1147 C ASP A 79 3.895 2.800 -8.816 1.00 0.00 C ATOM 1148 O ASP A 79 3.619 3.914 -9.256 1.00 0.00 O ATOM 1149 CB ASP A 79 5.953 2.093 -7.635 1.00 0.00 C ATOM 1150 CG ASP A 79 7.071 3.136 -7.587 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.741 4.309 -7.312 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.231 2.736 -7.827 1.00 0.00 O ATOM 0 H ASP A 79 4.265 1.032 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 79 4.599 3.607 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.143 1.343 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.995 1.582 -8.597 1.00 0.00 H new ATOM 1157 N GLN A 80 3.673 1.663 -9.458 1.00 0.00 N ATOM 1158 CA GLN A 80 3.065 1.655 -10.778 1.00 0.00 C ATOM 1159 C GLN A 80 1.969 2.719 -10.863 1.00 0.00 C ATOM 1160 O GLN A 80 2.060 3.646 -11.665 1.00 0.00 O ATOM 1161 CB GLN A 80 2.513 0.270 -11.119 1.00 0.00 C ATOM 1162 CG GLN A 80 3.417 -0.449 -12.122 1.00 0.00 C ATOM 1163 CD GLN A 80 4.639 -1.052 -11.425 1.00 0.00 C ATOM 1164 OE1 GLN A 80 5.470 -0.358 -10.862 1.00 0.00 O ATOM 1165 NE2 GLN A 80 4.702 -2.378 -11.494 1.00 0.00 N ATOM 0 H GLN A 80 3.903 0.740 -9.089 1.00 0.00 H new ATOM 0 HA GLN A 80 3.834 1.894 -11.513 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.427 -0.325 -10.210 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.509 0.366 -11.533 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.855 -1.236 -12.624 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.742 0.251 -12.892 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.972 -2.899 -11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.480 -2.875 -11.060 1.00 0.00 H new ATOM 1174 N ILE A 81 0.957 2.548 -10.024 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.156 3.482 -9.994 1.00 0.00 C ATOM 1176 C ILE A 81 0.378 4.909 -10.135 1.00 0.00 C ATOM 1177 O ILE A 81 -0.021 5.638 -11.042 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.005 3.264 -8.741 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.899 2.031 -8.892 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.811 4.518 -8.399 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.514 1.632 -7.549 1.00 0.00 C ATOM 0 H ILE A 81 0.885 1.777 -9.360 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.824 3.306 -10.837 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.334 3.075 -7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.691 2.238 -9.612 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.315 1.201 -9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.406 4.335 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.130 5.350 -8.219 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.472 4.763 -9.230 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.145 0.753 -7.684 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.720 1.403 -6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.117 2.455 -7.166 1.00 0.00 H new ATOM 1193 N VAL A 82 1.271 5.265 -9.224 1.00 0.00 N ATOM 1194 CA VAL A 82 1.863 6.592 -9.235 1.00 0.00 C ATOM 1195 C VAL A 82 2.440 6.877 -10.624 1.00 0.00 C ATOM 1196 O VAL A 82 2.062 7.855 -11.268 1.00 0.00 O ATOM 1197 CB VAL A 82 2.904 6.710 -8.120 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.610 8.067 -8.170 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.268 6.473 -6.749 1.00 0.00 C ATOM 0 H VAL A 82 1.599 4.658 -8.473 1.00 0.00 H new ATOM 0 HA VAL A 82 1.105 7.350 -9.036 1.00 0.00 H new ATOM 0 HB VAL A 82 3.655 5.936 -8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.345 8.125 -7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.113 8.180 -9.131 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.876 8.864 -8.048 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.029 6.563 -5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.487 7.214 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.834 5.474 -6.717 1.00 0.00 H new