USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 Single : A 20 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc=-0.00627 F(o=-0.51,f=-0.0063) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 21:sc= 0.454 USER MOD Single : A 48 THR OG1 : rot 113:sc= 1.06 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 100:sc= -2.15! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -1.47! (180deg=-3.09!) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 78 ASN : amide:sc= -2.41! C(o=-2.4!,f=-4.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 155:sc= -0.166! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 92 GLN :FLIP amide:sc= -1.07 F(o=-2.4,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= -0.153 (180deg=-0.666) USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 18 -10.404 -0.951 6.602 1.00 0.00 N ATOM 213 CA GLU A 18 -11.131 -1.923 5.803 1.00 0.00 C ATOM 214 C GLU A 18 -11.412 -1.360 4.408 1.00 0.00 C ATOM 215 O GLU A 18 -12.075 -0.333 4.271 1.00 0.00 O ATOM 216 CB GLU A 18 -12.429 -2.342 6.497 1.00 0.00 C ATOM 217 CG GLU A 18 -13.397 -2.990 5.504 1.00 0.00 C ATOM 218 CD GLU A 18 -14.211 -4.098 6.175 1.00 0.00 C ATOM 219 OE1 GLU A 18 -13.577 -4.937 6.851 1.00 0.00 O ATOM 220 OE2 GLU A 18 -15.448 -4.081 5.997 1.00 0.00 O ATOM 0 HA GLU A 18 -10.511 -2.813 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.206 -3.042 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.899 -1.471 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.070 -2.233 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.839 -3.402 4.663 1.00 0.00 H new ATOM 227 N LEU A 19 -10.894 -2.058 3.408 1.00 0.00 N ATOM 228 CA LEU A 19 -11.080 -1.640 2.029 1.00 0.00 C ATOM 229 C LEU A 19 -12.572 -1.424 1.764 1.00 0.00 C ATOM 230 O LEU A 19 -13.390 -1.532 2.675 1.00 0.00 O ATOM 231 CB LEU A 19 -10.425 -2.639 1.073 1.00 0.00 C ATOM 232 CG LEU A 19 -8.896 -2.602 1.010 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.405 -1.294 0.388 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.284 -2.846 2.391 1.00 0.00 C ATOM 0 H LEU A 19 -10.346 -2.910 3.525 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.581 -0.688 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.733 -3.644 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.815 -2.462 0.071 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.561 -3.412 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.315 -1.293 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.799 -1.202 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.750 -0.453 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.197 -2.815 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.624 -2.074 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.595 -3.824 2.759 1.00 0.00 H new ATOM 246 N THR A 20 -12.879 -1.121 0.511 1.00 0.00 N ATOM 247 CA THR A 20 -14.258 -0.888 0.114 1.00 0.00 C ATOM 248 C THR A 20 -14.480 -1.337 -1.331 1.00 0.00 C ATOM 249 O THR A 20 -13.603 -1.954 -1.935 1.00 0.00 O ATOM 250 CB THR A 20 -14.573 0.591 0.346 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.683 1.277 -0.531 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.162 1.066 1.741 1.00 0.00 C ATOM 0 H THR A 20 -12.197 -1.031 -0.242 1.00 0.00 H new ATOM 0 HA THR A 20 -14.948 -1.480 0.715 1.00 0.00 H new ATOM 0 HB THR A 20 -15.640 0.761 0.205 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.821 2.244 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.408 2.122 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.696 0.487 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.089 0.928 1.871 1.00 0.00 H new ATOM 260 N GLU A 21 -15.657 -1.012 -1.844 1.00 0.00 N ATOM 261 CA GLU A 21 -16.006 -1.374 -3.207 1.00 0.00 C ATOM 262 C GLU A 21 -15.033 -0.726 -4.194 1.00 0.00 C ATOM 263 O GLU A 21 -14.694 -1.319 -5.218 1.00 0.00 O ATOM 264 CB GLU A 21 -17.451 -0.985 -3.526 1.00 0.00 C ATOM 265 CG GLU A 21 -18.081 -1.974 -4.509 1.00 0.00 C ATOM 266 CD GLU A 21 -19.091 -1.273 -5.420 1.00 0.00 C ATOM 267 OE1 GLU A 21 -18.764 -0.155 -5.875 1.00 0.00 O ATOM 268 OE2 GLU A 21 -20.166 -1.870 -5.641 1.00 0.00 O ATOM 0 H GLU A 21 -16.382 -0.501 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.926 -2.457 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.036 -0.958 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.476 0.019 -3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.302 -2.438 -5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.576 -2.774 -3.959 1.00 0.00 H new ATOM 275 N ALA A 22 -14.611 0.483 -3.852 1.00 0.00 N ATOM 276 CA ALA A 22 -13.684 1.218 -4.696 1.00 0.00 C ATOM 277 C ALA A 22 -12.250 0.899 -4.268 1.00 0.00 C ATOM 278 O ALA A 22 -11.457 0.400 -5.065 1.00 0.00 O ATOM 279 CB ALA A 22 -13.997 2.713 -4.616 1.00 0.00 C ATOM 0 H ALA A 22 -14.894 0.972 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.792 0.918 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.302 3.265 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.017 2.890 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.895 3.051 -3.585 1.00 0.00 H new ATOM 285 N GLU A 23 -11.960 1.200 -3.011 1.00 0.00 N ATOM 286 CA GLU A 23 -10.636 0.952 -2.467 1.00 0.00 C ATOM 287 C GLU A 23 -10.114 -0.407 -2.939 1.00 0.00 C ATOM 288 O GLU A 23 -8.973 -0.518 -3.383 1.00 0.00 O ATOM 289 CB GLU A 23 -10.645 1.035 -0.940 1.00 0.00 C ATOM 290 CG GLU A 23 -10.385 2.467 -0.467 1.00 0.00 C ATOM 291 CD GLU A 23 -10.999 2.708 0.914 1.00 0.00 C ATOM 292 OE1 GLU A 23 -10.663 1.925 1.829 1.00 0.00 O ATOM 293 OE2 GLU A 23 -11.790 3.670 1.023 1.00 0.00 O ATOM 0 H GLU A 23 -12.620 1.614 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.963 1.726 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.607 0.691 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.884 0.370 -0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.311 2.652 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.805 3.173 -1.184 1.00 0.00 H new ATOM 300 N LEU A 24 -10.977 -1.407 -2.828 1.00 0.00 N ATOM 301 CA LEU A 24 -10.617 -2.754 -3.238 1.00 0.00 C ATOM 302 C LEU A 24 -9.993 -2.708 -4.634 1.00 0.00 C ATOM 303 O LEU A 24 -8.857 -3.140 -4.824 1.00 0.00 O ATOM 304 CB LEU A 24 -11.827 -3.685 -3.135 1.00 0.00 C ATOM 305 CG LEU A 24 -12.140 -4.227 -1.739 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.502 -4.924 -1.715 1.00 0.00 C ATOM 307 CD2 LEU A 24 -11.019 -5.140 -1.241 1.00 0.00 C ATOM 0 H LEU A 24 -11.924 -1.311 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.865 -3.169 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.704 -3.150 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.668 -4.531 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.197 -3.384 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.701 -5.300 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.279 -4.214 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.498 -5.755 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.267 -5.511 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.904 -5.981 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.086 -4.579 -1.196 1.00 0.00 H new ATOM 319 N VAL A 25 -10.762 -2.180 -5.574 1.00 0.00 N ATOM 320 CA VAL A 25 -10.299 -2.072 -6.947 1.00 0.00 C ATOM 321 C VAL A 25 -8.929 -1.390 -6.966 1.00 0.00 C ATOM 322 O VAL A 25 -8.000 -1.873 -7.612 1.00 0.00 O ATOM 323 CB VAL A 25 -11.342 -1.343 -7.796 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.847 -1.158 -9.232 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.683 -2.079 -7.768 1.00 0.00 C ATOM 0 H VAL A 25 -11.703 -1.822 -5.412 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.176 -3.061 -7.388 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.494 -0.354 -7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.607 -0.637 -9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.928 -0.572 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.653 -2.133 -9.678 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.407 -1.540 -8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.553 -3.087 -8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.046 -2.136 -6.742 1.00 0.00 H new ATOM 335 N THR A 26 -8.848 -0.278 -6.250 1.00 0.00 N ATOM 336 CA THR A 26 -7.607 0.475 -6.177 1.00 0.00 C ATOM 337 C THR A 26 -6.486 -0.398 -5.612 1.00 0.00 C ATOM 338 O THR A 26 -5.359 -0.363 -6.104 1.00 0.00 O ATOM 339 CB THR A 26 -7.869 1.737 -5.352 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.344 2.683 -6.307 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.580 2.364 -4.817 1.00 0.00 C ATOM 0 H THR A 26 -9.621 0.119 -5.716 1.00 0.00 H new ATOM 0 HA THR A 26 -7.270 0.780 -7.168 1.00 0.00 H new ATOM 0 HB THR A 26 -8.529 1.496 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.541 3.531 -5.857 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.822 3.256 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.064 1.647 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.934 2.637 -5.652 1.00 0.00 H new ATOM 349 N ALA A 27 -6.833 -1.161 -4.585 1.00 0.00 N ATOM 350 CA ALA A 27 -5.869 -2.042 -3.948 1.00 0.00 C ATOM 351 C ALA A 27 -5.346 -3.048 -4.975 1.00 0.00 C ATOM 352 O ALA A 27 -4.162 -3.381 -4.977 1.00 0.00 O ATOM 353 CB ALA A 27 -6.520 -2.724 -2.742 1.00 0.00 C ATOM 0 H ALA A 27 -7.768 -1.187 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.015 -1.474 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.797 -3.385 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.847 -1.967 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.380 -3.306 -3.073 1.00 0.00 H new ATOM 359 N GLU A 28 -6.255 -3.504 -5.824 1.00 0.00 N ATOM 360 CA GLU A 28 -5.901 -4.465 -6.854 1.00 0.00 C ATOM 361 C GLU A 28 -4.990 -3.815 -7.897 1.00 0.00 C ATOM 362 O GLU A 28 -4.121 -4.474 -8.465 1.00 0.00 O ATOM 363 CB GLU A 28 -7.152 -5.053 -7.510 1.00 0.00 C ATOM 364 CG GLU A 28 -7.685 -6.242 -6.708 1.00 0.00 C ATOM 365 CD GLU A 28 -7.656 -7.524 -7.543 1.00 0.00 C ATOM 366 OE1 GLU A 28 -7.952 -7.420 -8.753 1.00 0.00 O ATOM 367 OE2 GLU A 28 -7.337 -8.578 -6.953 1.00 0.00 O ATOM 0 H GLU A 28 -7.236 -3.226 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.357 -5.285 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.922 -4.286 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.919 -5.371 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.085 -6.376 -5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.705 -6.038 -6.383 1.00 0.00 H new ATOM 374 N ALA A 29 -5.219 -2.528 -8.117 1.00 0.00 N ATOM 375 CA ALA A 29 -4.430 -1.781 -9.081 1.00 0.00 C ATOM 376 C ALA A 29 -2.981 -1.701 -8.595 1.00 0.00 C ATOM 377 O ALA A 29 -2.050 -1.903 -9.372 1.00 0.00 O ATOM 378 CB ALA A 29 -5.052 -0.399 -9.289 1.00 0.00 C ATOM 0 H ALA A 29 -5.940 -1.984 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.427 -2.286 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.460 0.161 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.070 -0.511 -9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.070 0.138 -8.341 1.00 0.00 H new ATOM 384 N VAL A 30 -2.837 -1.405 -7.311 1.00 0.00 N ATOM 385 CA VAL A 30 -1.518 -1.296 -6.712 1.00 0.00 C ATOM 386 C VAL A 30 -0.851 -2.673 -6.703 1.00 0.00 C ATOM 387 O VAL A 30 0.339 -2.792 -6.990 1.00 0.00 O ATOM 388 CB VAL A 30 -1.626 -0.674 -5.318 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.362 -0.943 -4.499 1.00 0.00 C ATOM 390 CG2 VAL A 30 -1.913 0.826 -5.408 1.00 0.00 C ATOM 0 H VAL A 30 -3.612 -1.237 -6.669 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.885 -0.632 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.464 -1.145 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.464 -0.490 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.220 -2.018 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.500 -0.512 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.985 1.244 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.105 1.319 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.853 0.986 -5.936 1.00 0.00 H new ATOM 400 N ARG A 31 -1.647 -3.678 -6.369 1.00 0.00 N ATOM 401 CA ARG A 31 -1.148 -5.042 -6.318 1.00 0.00 C ATOM 402 C ARG A 31 -0.583 -5.451 -7.680 1.00 0.00 C ATOM 403 O ARG A 31 0.412 -6.171 -7.752 1.00 0.00 O ATOM 404 CB ARG A 31 -2.256 -6.019 -5.919 1.00 0.00 C ATOM 405 CG ARG A 31 -1.824 -7.466 -6.161 1.00 0.00 C ATOM 406 CD ARG A 31 -2.833 -8.199 -7.049 1.00 0.00 C ATOM 407 NE ARG A 31 -3.297 -7.304 -8.132 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.414 -7.504 -8.845 1.00 0.00 C ATOM 409 NH1 ARG A 31 -5.188 -8.569 -8.593 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.757 -6.639 -9.809 1.00 0.00 N ATOM 0 H ARG A 31 -2.634 -3.575 -6.131 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.359 -5.079 -5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.506 -5.881 -4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.158 -5.805 -6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.841 -7.482 -6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.729 -7.985 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.374 -9.091 -7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.682 -8.531 -6.452 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.731 -6.484 -8.350 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.927 -9.227 -7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.038 -8.721 -9.136 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.168 -5.828 -10.000 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.607 -6.791 -10.352 1.00 0.00 H new ATOM 424 N SER A 32 -1.242 -4.975 -8.726 1.00 0.00 N ATOM 425 CA SER A 32 -0.817 -5.283 -10.081 1.00 0.00 C ATOM 426 C SER A 32 0.571 -4.695 -10.341 1.00 0.00 C ATOM 427 O SER A 32 1.353 -5.256 -11.108 1.00 0.00 O ATOM 428 CB SER A 32 -1.819 -4.749 -11.107 1.00 0.00 C ATOM 429 OG SER A 32 -1.245 -4.637 -12.406 1.00 0.00 O ATOM 0 H SER A 32 -2.067 -4.378 -8.663 1.00 0.00 H new ATOM 0 HA SER A 32 -0.771 -6.367 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.683 -5.412 -11.149 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.181 -3.773 -10.785 1.00 0.00 H new ATOM 0 HG SER A 32 -1.917 -4.294 -13.032 1.00 0.00 H new ATOM 435 N VAL A 33 0.836 -3.575 -9.686 1.00 0.00 N ATOM 436 CA VAL A 33 2.117 -2.905 -9.836 1.00 0.00 C ATOM 437 C VAL A 33 3.223 -3.794 -9.262 1.00 0.00 C ATOM 438 O VAL A 33 4.267 -3.972 -9.885 1.00 0.00 O ATOM 439 CB VAL A 33 2.064 -1.521 -9.186 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.373 -0.761 -9.406 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.869 -0.718 -9.703 1.00 0.00 C ATOM 0 H VAL A 33 0.186 -3.114 -9.050 1.00 0.00 H new ATOM 0 HA VAL A 33 2.343 -2.745 -10.890 1.00 0.00 H new ATOM 0 HB VAL A 33 1.935 -1.660 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.308 0.219 -8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.198 -1.322 -8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.547 -0.638 -10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.855 0.262 -9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.954 -0.594 -10.783 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.054 -1.249 -9.470 1.00 0.00 H new ATOM 451 N TRP A 34 2.954 -4.327 -8.079 1.00 0.00 N ATOM 452 CA TRP A 34 3.913 -5.193 -7.413 1.00 0.00 C ATOM 453 C TRP A 34 4.206 -6.375 -8.340 1.00 0.00 C ATOM 454 O TRP A 34 5.358 -6.622 -8.691 1.00 0.00 O ATOM 455 CB TRP A 34 3.400 -5.624 -6.038 1.00 0.00 C ATOM 456 CG TRP A 34 3.360 -4.495 -5.007 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.040 -3.208 -5.204 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.664 -4.604 -3.600 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.116 -2.483 -4.032 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.507 -3.359 -3.026 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.059 -5.718 -2.838 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.725 -3.109 -1.665 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.272 -5.452 -1.480 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.118 -4.204 -0.887 1.00 0.00 C ATOM 0 H TRP A 34 2.086 -4.176 -7.565 1.00 0.00 H new ATOM 0 HA TRP A 34 4.845 -4.661 -7.222 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.397 -6.037 -6.149 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.035 -6.425 -5.660 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.758 -2.791 -6.160 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.921 -1.488 -3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.188 -6.701 -3.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.597 -2.125 -1.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.577 -6.274 -0.849 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.301 -4.080 0.170 1.00 0.00 H new ATOM 475 N GLN A 35 3.142 -7.073 -8.709 1.00 0.00 N ATOM 476 CA GLN A 35 3.271 -8.223 -9.588 1.00 0.00 C ATOM 477 C GLN A 35 4.181 -7.888 -10.771 1.00 0.00 C ATOM 478 O GLN A 35 5.199 -8.546 -10.981 1.00 0.00 O ATOM 479 CB GLN A 35 1.899 -8.701 -10.070 1.00 0.00 C ATOM 480 CG GLN A 35 1.222 -9.578 -9.015 1.00 0.00 C ATOM 481 CD GLN A 35 1.161 -11.037 -9.472 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.354 -11.601 -9.642 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 0.102 -11.612 -9.658 1.00 0.00 N flip ATOM 0 H GLN A 35 2.188 -6.865 -8.416 1.00 0.00 H new ATOM 0 HA GLN A 35 3.726 -9.037 -9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.268 -7.841 -10.292 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.011 -9.263 -10.998 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.769 -9.510 -8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.214 -9.211 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.779 -11.120 -9.509 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.097 -12.585 -9.963 1.00 0.00 H new ATOM 492 N ARG A 36 3.782 -6.865 -11.513 1.00 0.00 N ATOM 493 CA ARG A 36 4.550 -6.435 -12.669 1.00 0.00 C ATOM 494 C ARG A 36 6.009 -6.192 -12.278 1.00 0.00 C ATOM 495 O ARG A 36 6.923 -6.597 -12.993 1.00 0.00 O ATOM 496 CB ARG A 36 3.969 -5.153 -13.269 1.00 0.00 C ATOM 497 CG ARG A 36 2.948 -5.473 -14.363 1.00 0.00 C ATOM 498 CD ARG A 36 2.584 -4.216 -15.157 1.00 0.00 C ATOM 499 NE ARG A 36 2.014 -4.595 -16.469 1.00 0.00 N ATOM 500 CZ ARG A 36 1.938 -3.768 -17.522 1.00 0.00 C ATOM 501 NH1 ARG A 36 2.394 -2.512 -17.421 1.00 0.00 N ATOM 502 NH2 ARG A 36 1.405 -4.198 -18.674 1.00 0.00 N ATOM 0 H ARG A 36 2.937 -6.322 -11.336 1.00 0.00 H new ATOM 0 HA ARG A 36 4.499 -7.228 -13.415 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.494 -4.563 -12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.773 -4.544 -13.683 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.355 -6.228 -15.036 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.050 -5.897 -13.914 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.865 -3.618 -14.598 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.470 -3.597 -15.301 1.00 0.00 H new ATOM 0 HE ARG A 36 1.657 -5.544 -16.579 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.799 -2.185 -16.544 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.336 -1.883 -18.222 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.057 -5.154 -18.750 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.347 -3.569 -19.475 1.00 0.00 H new ATOM 516 N ILE A 37 6.181 -5.531 -11.142 1.00 0.00 N ATOM 517 CA ILE A 37 7.513 -5.229 -10.646 1.00 0.00 C ATOM 518 C ILE A 37 8.235 -6.535 -10.308 1.00 0.00 C ATOM 519 O ILE A 37 9.151 -6.944 -11.020 1.00 0.00 O ATOM 520 CB ILE A 37 7.439 -4.247 -9.476 1.00 0.00 C ATOM 521 CG1 ILE A 37 7.058 -2.846 -9.959 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.746 -4.243 -8.680 1.00 0.00 C ATOM 523 CD1 ILE A 37 6.899 -1.884 -8.780 1.00 0.00 C ATOM 0 H ILE A 37 5.420 -5.196 -10.551 1.00 0.00 H new ATOM 0 HA ILE A 37 8.101 -4.729 -11.415 1.00 0.00 H new ATOM 0 HB ILE A 37 6.651 -4.580 -8.800 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.824 -2.471 -10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.126 -2.893 -10.523 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.667 -3.536 -7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.935 -5.242 -8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.568 -3.948 -9.332 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.628 -0.895 -9.151 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.116 -2.249 -8.115 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.839 -1.821 -8.232 1.00 0.00 H new ATOM 535 N LEU A 38 7.795 -7.154 -9.222 1.00 0.00 N ATOM 536 CA LEU A 38 8.387 -8.405 -8.781 1.00 0.00 C ATOM 537 C LEU A 38 8.100 -9.493 -9.818 1.00 0.00 C ATOM 538 O LEU A 38 6.952 -9.894 -10.000 1.00 0.00 O ATOM 539 CB LEU A 38 7.909 -8.757 -7.371 1.00 0.00 C ATOM 540 CG LEU A 38 8.109 -7.676 -6.306 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.154 -7.883 -5.129 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.570 -7.615 -5.855 1.00 0.00 C ATOM 0 H LEU A 38 7.035 -6.812 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 38 9.470 -8.310 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.848 -9.000 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.428 -9.659 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 38 7.868 -6.710 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.317 -7.102 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.124 -7.838 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.340 -8.857 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.685 -6.839 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.862 -8.578 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.205 -7.385 -6.710 1.00 0.00 H new ATOM 554 N PRO A 39 9.192 -9.953 -10.486 1.00 0.00 N ATOM 555 CA PRO A 39 9.068 -10.987 -11.499 1.00 0.00 C ATOM 556 C PRO A 39 8.840 -12.358 -10.858 1.00 0.00 C ATOM 557 O PRO A 39 7.755 -12.926 -10.968 1.00 0.00 O ATOM 558 CB PRO A 39 10.359 -10.912 -12.298 1.00 0.00 C ATOM 559 CG PRO A 39 11.348 -10.161 -11.421 1.00 0.00 C ATOM 560 CD PRO A 39 10.567 -9.502 -10.296 1.00 0.00 C ATOM 0 HA PRO A 39 8.205 -10.839 -12.148 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.728 -11.909 -12.538 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.203 -10.393 -13.244 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.096 -10.844 -11.018 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.883 -9.412 -12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.950 -9.800 -9.320 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.638 -8.416 -10.348 1.00 0.00 H new ATOM 568 N LYS A 40 9.882 -12.850 -10.203 1.00 0.00 N ATOM 569 CA LYS A 40 9.809 -14.143 -9.545 1.00 0.00 C ATOM 570 C LYS A 40 8.456 -14.278 -8.845 1.00 0.00 C ATOM 571 O LYS A 40 7.832 -15.337 -8.891 1.00 0.00 O ATOM 572 CB LYS A 40 11.007 -14.337 -8.613 1.00 0.00 C ATOM 573 CG LYS A 40 12.226 -14.844 -9.385 1.00 0.00 C ATOM 574 CD LYS A 40 13.258 -15.460 -8.438 1.00 0.00 C ATOM 575 CE LYS A 40 14.271 -14.412 -7.973 1.00 0.00 C ATOM 576 NZ LYS A 40 15.569 -14.607 -8.657 1.00 0.00 N ATOM 0 H LYS A 40 10.781 -12.376 -10.114 1.00 0.00 H new ATOM 0 HA LYS A 40 9.870 -14.948 -10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.249 -13.393 -8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.749 -15.046 -7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.913 -15.586 -10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.680 -14.021 -9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.752 -15.890 -7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.778 -16.275 -8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.890 -13.412 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.407 -14.483 -6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.245 -13.888 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.938 -15.554 -8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.437 -14.516 -9.685 1.00 0.00 H new ATOM 590 N VAL A 41 8.042 -13.191 -8.212 1.00 0.00 N ATOM 591 CA VAL A 41 6.774 -13.175 -7.502 1.00 0.00 C ATOM 592 C VAL A 41 5.642 -13.494 -8.482 1.00 0.00 C ATOM 593 O VAL A 41 5.414 -12.751 -9.435 1.00 0.00 O ATOM 594 CB VAL A 41 6.588 -11.832 -6.792 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.199 -11.735 -6.157 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.685 -11.608 -5.749 1.00 0.00 C ATOM 0 H VAL A 41 8.562 -12.314 -8.176 1.00 0.00 H new ATOM 0 HA VAL A 41 6.761 -13.942 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 41 6.670 -11.043 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.093 -10.771 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.438 -11.829 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.076 -12.536 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.530 -10.647 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.649 -12.405 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.659 -11.613 -6.238 1.00 0.00 H new ATOM 606 N LEU A 42 4.964 -14.600 -8.212 1.00 0.00 N ATOM 607 CA LEU A 42 3.862 -15.026 -9.058 1.00 0.00 C ATOM 608 C LEU A 42 2.553 -14.453 -8.511 1.00 0.00 C ATOM 609 O LEU A 42 1.602 -14.242 -9.261 1.00 0.00 O ATOM 610 CB LEU A 42 3.854 -16.550 -9.199 1.00 0.00 C ATOM 611 CG LEU A 42 4.920 -17.143 -10.123 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.775 -18.173 -9.382 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.287 -17.727 -11.387 1.00 0.00 C ATOM 0 H LEU A 42 5.156 -15.213 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 42 3.984 -14.635 -10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.976 -16.987 -8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.874 -16.856 -9.564 1.00 0.00 H new ATOM 0 HG LEU A 42 5.585 -16.339 -10.438 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.525 -18.579 -10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.271 -17.694 -8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.139 -18.980 -9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.067 -18.142 -12.026 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.586 -18.515 -11.112 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.757 -16.941 -11.925 1.00 0.00 H new ATOM 625 N GLU A 43 2.547 -14.216 -7.207 1.00 0.00 N ATOM 626 CA GLU A 43 1.371 -13.671 -6.551 1.00 0.00 C ATOM 627 C GLU A 43 1.783 -12.690 -5.451 1.00 0.00 C ATOM 628 O GLU A 43 2.820 -12.867 -4.813 1.00 0.00 O ATOM 629 CB GLU A 43 0.490 -14.788 -5.987 1.00 0.00 C ATOM 630 CG GLU A 43 1.038 -15.296 -4.652 1.00 0.00 C ATOM 631 CD GLU A 43 0.504 -16.695 -4.338 1.00 0.00 C ATOM 632 OE1 GLU A 43 -0.710 -16.790 -4.057 1.00 0.00 O ATOM 633 OE2 GLU A 43 1.322 -17.639 -4.386 1.00 0.00 O ATOM 0 H GLU A 43 3.338 -14.392 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 43 0.784 -13.130 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.527 -14.420 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.439 -15.611 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.127 -15.318 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.758 -14.608 -3.854 1.00 0.00 H new ATOM 640 N VAL A 44 0.950 -11.677 -5.264 1.00 0.00 N ATOM 641 CA VAL A 44 1.216 -10.668 -4.252 1.00 0.00 C ATOM 642 C VAL A 44 0.172 -10.781 -3.139 1.00 0.00 C ATOM 643 O VAL A 44 -0.977 -10.379 -3.317 1.00 0.00 O ATOM 644 CB VAL A 44 1.255 -9.280 -4.895 1.00 0.00 C ATOM 645 CG1 VAL A 44 0.795 -8.205 -3.909 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.651 -8.966 -5.437 1.00 0.00 C ATOM 0 H VAL A 44 0.091 -11.533 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 44 2.194 -10.830 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 44 0.561 -9.281 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.833 -7.228 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.227 -8.415 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.451 -8.205 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.651 -7.974 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.373 -8.993 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.925 -9.707 -6.188 1.00 0.00 H new ATOM 656 N GLU A 45 0.609 -11.331 -2.016 1.00 0.00 N ATOM 657 CA GLU A 45 -0.272 -11.502 -0.874 1.00 0.00 C ATOM 658 C GLU A 45 -0.021 -10.403 0.161 1.00 0.00 C ATOM 659 O GLU A 45 0.748 -9.476 -0.088 1.00 0.00 O ATOM 660 CB GLU A 45 -0.101 -12.890 -0.252 1.00 0.00 C ATOM 661 CG GLU A 45 1.370 -13.174 0.058 1.00 0.00 C ATOM 662 CD GLU A 45 1.937 -14.230 -0.893 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.569 -15.411 -0.713 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.725 -13.833 -1.778 1.00 0.00 O ATOM 0 H GLU A 45 1.562 -11.664 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.302 -11.419 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.689 -12.957 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.486 -13.648 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.948 -12.254 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.469 -13.517 1.088 1.00 0.00 H new ATOM 671 N ASP A 46 -0.684 -10.543 1.299 1.00 0.00 N ATOM 672 CA ASP A 46 -0.543 -9.574 2.372 1.00 0.00 C ATOM 673 C ASP A 46 0.767 -9.834 3.119 1.00 0.00 C ATOM 674 O ASP A 46 1.272 -8.957 3.819 1.00 0.00 O ATOM 675 CB ASP A 46 -1.691 -9.692 3.377 1.00 0.00 C ATOM 676 CG ASP A 46 -1.879 -11.084 3.983 1.00 0.00 C ATOM 677 OD1 ASP A 46 -1.018 -11.465 4.806 1.00 0.00 O ATOM 678 OD2 ASP A 46 -2.878 -11.736 3.610 1.00 0.00 O ATOM 0 H ASP A 46 -1.321 -11.314 1.502 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.553 -8.578 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.521 -8.980 4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.618 -9.399 2.883 1.00 0.00 H new ATOM 683 N SER A 47 1.281 -11.043 2.944 1.00 0.00 N ATOM 684 CA SER A 47 2.522 -11.429 3.593 1.00 0.00 C ATOM 685 C SER A 47 3.704 -11.177 2.654 1.00 0.00 C ATOM 686 O SER A 47 4.859 -11.295 3.059 1.00 0.00 O ATOM 687 CB SER A 47 2.487 -12.899 4.018 1.00 0.00 C ATOM 688 OG SER A 47 1.410 -13.171 4.911 1.00 0.00 O ATOM 0 H SER A 47 0.860 -11.768 2.362 1.00 0.00 H new ATOM 0 HA SER A 47 2.642 -10.822 4.490 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.393 -13.530 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.430 -13.160 4.497 1.00 0.00 H new ATOM 0 HG SER A 47 0.729 -12.471 4.825 1.00 0.00 H new ATOM 694 N THR A 48 3.373 -10.833 1.418 1.00 0.00 N ATOM 695 CA THR A 48 4.393 -10.563 0.419 1.00 0.00 C ATOM 696 C THR A 48 5.134 -9.266 0.751 1.00 0.00 C ATOM 697 O THR A 48 4.566 -8.180 0.655 1.00 0.00 O ATOM 698 CB THR A 48 3.716 -10.541 -0.953 1.00 0.00 C ATOM 699 OG1 THR A 48 4.098 -11.778 -1.548 1.00 0.00 O ATOM 700 CG2 THR A 48 4.310 -9.481 -1.883 1.00 0.00 C ATOM 0 H THR A 48 2.414 -10.735 1.086 1.00 0.00 H new ATOM 0 HA THR A 48 5.154 -11.343 0.410 1.00 0.00 H new ATOM 0 HB THR A 48 2.649 -10.357 -0.828 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.310 -12.354 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.794 -9.508 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.190 -8.495 -1.434 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.370 -9.684 -2.036 1.00 0.00 H new ATOM 708 N ASP A 49 6.393 -9.424 1.135 1.00 0.00 N ATOM 709 CA ASP A 49 7.218 -8.279 1.482 1.00 0.00 C ATOM 710 C ASP A 49 7.849 -7.707 0.211 1.00 0.00 C ATOM 711 O ASP A 49 8.642 -8.377 -0.449 1.00 0.00 O ATOM 712 CB ASP A 49 8.348 -8.683 2.430 1.00 0.00 C ATOM 713 CG ASP A 49 8.663 -7.667 3.531 1.00 0.00 C ATOM 714 OD1 ASP A 49 9.404 -6.709 3.223 1.00 0.00 O ATOM 715 OD2 ASP A 49 8.155 -7.872 4.654 1.00 0.00 O ATOM 0 H ASP A 49 6.861 -10.327 1.213 1.00 0.00 H new ATOM 0 HA ASP A 49 6.583 -7.541 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.088 -9.633 2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.251 -8.852 1.843 1.00 0.00 H new ATOM 720 N PHE A 50 7.473 -6.474 -0.095 1.00 0.00 N ATOM 721 CA PHE A 50 7.992 -5.804 -1.275 1.00 0.00 C ATOM 722 C PHE A 50 9.506 -5.994 -1.392 1.00 0.00 C ATOM 723 O PHE A 50 10.054 -5.981 -2.493 1.00 0.00 O ATOM 724 CB PHE A 50 7.688 -4.313 -1.114 1.00 0.00 C ATOM 725 CG PHE A 50 8.102 -3.460 -2.314 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.584 -3.720 -3.545 1.00 0.00 C ATOM 727 CD2 PHE A 50 8.989 -2.441 -2.151 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.969 -2.928 -4.659 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.373 -1.649 -3.265 1.00 0.00 C ATOM 730 CZ PHE A 50 8.855 -1.910 -4.495 1.00 0.00 C ATOM 0 H PHE A 50 6.815 -5.921 0.454 1.00 0.00 H new ATOM 0 HA PHE A 50 7.530 -6.219 -2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.619 -4.187 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.198 -3.943 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.880 -4.529 -3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.401 -2.235 -1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.558 -3.134 -5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.076 -0.840 -3.136 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.148 -1.308 -5.342 1.00 0.00 H new ATOM 740 N PHE A 51 10.139 -6.165 -0.241 1.00 0.00 N ATOM 741 CA PHE A 51 11.579 -6.357 -0.200 1.00 0.00 C ATOM 742 C PHE A 51 11.940 -7.835 -0.364 1.00 0.00 C ATOM 743 O PHE A 51 12.545 -8.222 -1.363 1.00 0.00 O ATOM 744 CB PHE A 51 12.055 -5.877 1.173 1.00 0.00 C ATOM 745 CG PHE A 51 11.975 -4.361 1.365 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.361 -3.528 0.362 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.517 -3.848 2.538 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.286 -2.121 0.540 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.442 -2.441 2.716 1.00 0.00 C ATOM 750 CZ PHE A 51 11.829 -1.607 1.713 1.00 0.00 C ATOM 0 H PHE A 51 9.681 -6.175 0.670 1.00 0.00 H new ATOM 0 HA PHE A 51 12.052 -5.803 -1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.456 -6.363 1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.086 -6.198 1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.724 -3.936 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.210 -4.510 3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.592 -1.459 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.078 -2.033 3.647 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.773 -0.537 1.849 1.00 0.00 H new ATOM 760 N LYS A 52 11.553 -8.619 0.631 1.00 0.00 N ATOM 761 CA LYS A 52 11.829 -10.046 0.609 1.00 0.00 C ATOM 762 C LYS A 52 11.645 -10.575 -0.815 1.00 0.00 C ATOM 763 O LYS A 52 12.416 -11.416 -1.273 1.00 0.00 O ATOM 764 CB LYS A 52 10.974 -10.772 1.650 1.00 0.00 C ATOM 765 CG LYS A 52 11.229 -10.216 3.053 1.00 0.00 C ATOM 766 CD LYS A 52 10.927 -11.268 4.122 1.00 0.00 C ATOM 767 CE LYS A 52 10.387 -10.615 5.396 1.00 0.00 C ATOM 768 NZ LYS A 52 9.928 -11.647 6.353 1.00 0.00 N ATOM 0 H LYS A 52 11.051 -8.294 1.457 1.00 0.00 H new ATOM 0 HA LYS A 52 12.865 -10.239 0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.919 -10.664 1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.199 -11.838 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.267 -9.894 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.608 -9.336 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.199 -11.983 3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.833 -11.828 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.164 -10.004 5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.562 -9.948 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.565 -11.187 7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.172 -12.213 5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.724 -12.267 6.603 1.00 0.00 H new ATOM 782 N SER A 53 10.619 -10.059 -1.475 1.00 0.00 N ATOM 783 CA SER A 53 10.324 -10.469 -2.838 1.00 0.00 C ATOM 784 C SER A 53 11.582 -10.359 -3.701 1.00 0.00 C ATOM 785 O SER A 53 12.170 -11.372 -4.078 1.00 0.00 O ATOM 786 CB SER A 53 9.195 -9.626 -3.435 1.00 0.00 C ATOM 787 OG SER A 53 7.910 -10.144 -3.106 1.00 0.00 O ATOM 0 H SER A 53 9.982 -9.361 -1.092 1.00 0.00 H new ATOM 0 HA SER A 53 9.994 -11.508 -2.819 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.277 -8.602 -3.072 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.304 -9.589 -4.519 1.00 0.00 H new ATOM 0 HG SER A 53 7.532 -9.632 -2.361 1.00 0.00 H new ATOM 793 N GLY A 54 11.957 -9.122 -3.989 1.00 0.00 N ATOM 794 CA GLY A 54 13.135 -8.867 -4.801 1.00 0.00 C ATOM 795 C GLY A 54 13.089 -7.464 -5.409 1.00 0.00 C ATOM 796 O GLY A 54 13.424 -7.278 -6.578 1.00 0.00 O ATOM 0 H GLY A 54 11.466 -8.285 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.032 -8.973 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.201 -9.610 -5.596 1.00 0.00 H new ATOM 800 N ALA A 55 12.670 -6.511 -4.588 1.00 0.00 N ATOM 801 CA ALA A 55 12.576 -5.131 -5.030 1.00 0.00 C ATOM 802 C ALA A 55 13.922 -4.436 -4.811 1.00 0.00 C ATOM 803 O ALA A 55 14.562 -4.627 -3.778 1.00 0.00 O ATOM 804 CB ALA A 55 11.433 -4.434 -4.288 1.00 0.00 C ATOM 0 H ALA A 55 12.392 -6.668 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 55 12.350 -5.084 -6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.362 -3.398 -4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.495 -4.948 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.627 -4.459 -3.216 1.00 0.00 H new ATOM 810 N ALA A 56 14.311 -3.646 -5.801 1.00 0.00 N ATOM 811 CA ALA A 56 15.569 -2.922 -5.730 1.00 0.00 C ATOM 812 C ALA A 56 15.315 -1.519 -5.175 1.00 0.00 C ATOM 813 O ALA A 56 14.239 -1.242 -4.647 1.00 0.00 O ATOM 814 CB ALA A 56 16.221 -2.893 -7.114 1.00 0.00 C ATOM 0 H ALA A 56 13.777 -3.491 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 56 16.262 -3.423 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.165 -2.350 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.408 -3.913 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.555 -2.395 -7.819 1.00 0.00 H new ATOM 820 N SER A 57 16.323 -0.671 -5.315 1.00 0.00 N ATOM 821 CA SER A 57 16.222 0.697 -4.835 1.00 0.00 C ATOM 822 C SER A 57 15.390 1.534 -5.810 1.00 0.00 C ATOM 823 O SER A 57 14.976 2.645 -5.483 1.00 0.00 O ATOM 824 CB SER A 57 17.607 1.320 -4.650 1.00 0.00 C ATOM 825 OG SER A 57 18.334 0.700 -3.592 1.00 0.00 O ATOM 0 H SER A 57 17.214 -0.904 -5.754 1.00 0.00 H new ATOM 0 HA SER A 57 15.727 0.682 -3.864 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.171 1.231 -5.578 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.501 2.385 -4.442 1.00 0.00 H new ATOM 0 HG SER A 57 19.213 1.124 -3.507 1.00 0.00 H new ATOM 831 N VAL A 58 15.171 0.968 -6.988 1.00 0.00 N ATOM 832 CA VAL A 58 14.396 1.648 -8.012 1.00 0.00 C ATOM 833 C VAL A 58 12.924 1.252 -7.878 1.00 0.00 C ATOM 834 O VAL A 58 12.036 2.090 -8.030 1.00 0.00 O ATOM 835 CB VAL A 58 14.974 1.341 -9.395 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.468 1.023 -9.306 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.209 0.200 -10.068 1.00 0.00 C ATOM 0 H VAL A 58 15.517 0.047 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 58 14.455 2.729 -7.882 1.00 0.00 H new ATOM 0 HB VAL A 58 14.857 2.232 -10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 58 16.854 0.808 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.998 1.879 -8.888 1.00 0.00 H new ATOM 0 HG13 VAL A 58 16.618 0.155 -8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.640 0.002 -11.049 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.279 -0.697 -9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.162 0.481 -10.182 1.00 0.00 H new ATOM 847 N ASP A 59 12.710 -0.025 -7.595 1.00 0.00 N ATOM 848 CA ASP A 59 11.361 -0.541 -7.440 1.00 0.00 C ATOM 849 C ASP A 59 10.606 0.315 -6.421 1.00 0.00 C ATOM 850 O ASP A 59 9.401 0.525 -6.553 1.00 0.00 O ATOM 851 CB ASP A 59 11.379 -1.982 -6.925 1.00 0.00 C ATOM 852 CG ASP A 59 11.885 -3.021 -7.928 1.00 0.00 C ATOM 853 OD1 ASP A 59 12.829 -2.678 -8.672 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.316 -4.134 -7.928 1.00 0.00 O ATOM 0 H ASP A 59 13.449 -0.717 -7.469 1.00 0.00 H new ATOM 0 HA ASP A 59 10.875 -0.512 -8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.004 -2.025 -6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.369 -2.255 -6.620 1.00 0.00 H new ATOM 859 N VAL A 60 11.346 0.788 -5.429 1.00 0.00 N ATOM 860 CA VAL A 60 10.761 1.617 -4.389 1.00 0.00 C ATOM 861 C VAL A 60 10.201 2.895 -5.016 1.00 0.00 C ATOM 862 O VAL A 60 9.030 3.222 -4.828 1.00 0.00 O ATOM 863 CB VAL A 60 11.796 1.892 -3.295 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.279 2.934 -2.301 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.191 0.599 -2.578 1.00 0.00 C ATOM 0 H VAL A 60 12.345 0.613 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 60 9.930 1.099 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 60 12.688 2.298 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.033 3.111 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.070 3.866 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.365 2.568 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.927 0.822 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.308 0.153 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.619 -0.099 -3.297 1.00 0.00 H new ATOM 875 N VAL A 61 11.064 3.584 -5.748 1.00 0.00 N ATOM 876 CA VAL A 61 10.670 4.819 -6.404 1.00 0.00 C ATOM 877 C VAL A 61 9.695 4.500 -7.540 1.00 0.00 C ATOM 878 O VAL A 61 8.739 5.240 -7.768 1.00 0.00 O ATOM 879 CB VAL A 61 11.911 5.579 -6.878 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.551 7.004 -7.304 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.994 5.587 -5.798 1.00 0.00 C ATOM 0 H VAL A 61 12.035 3.310 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 61 10.151 5.474 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 61 12.310 5.059 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.450 7.523 -7.636 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.830 6.968 -8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.116 7.538 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.865 6.133 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.609 6.071 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.281 4.562 -5.563 1.00 0.00 H new ATOM 891 N ARG A 62 9.971 3.398 -8.221 1.00 0.00 N ATOM 892 CA ARG A 62 9.130 2.972 -9.327 1.00 0.00 C ATOM 893 C ARG A 62 7.726 2.628 -8.825 1.00 0.00 C ATOM 894 O ARG A 62 6.734 2.937 -9.483 1.00 0.00 O ATOM 895 CB ARG A 62 9.725 1.752 -10.033 1.00 0.00 C ATOM 896 CG ARG A 62 8.642 0.967 -10.777 1.00 0.00 C ATOM 897 CD ARG A 62 9.263 0.010 -11.797 1.00 0.00 C ATOM 898 NE ARG A 62 8.227 -0.906 -12.326 1.00 0.00 N ATOM 899 CZ ARG A 62 8.469 -1.881 -13.213 1.00 0.00 C ATOM 900 NH1 ARG A 62 9.712 -2.072 -13.676 1.00 0.00 N ATOM 901 NH2 ARG A 62 7.468 -2.664 -13.638 1.00 0.00 N ATOM 0 H ARG A 62 10.765 2.787 -8.029 1.00 0.00 H new ATOM 0 HA ARG A 62 9.073 3.797 -10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.494 2.073 -10.736 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.211 1.105 -9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.041 0.404 -10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.970 1.659 -11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.711 0.576 -12.614 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.063 -0.564 -11.330 1.00 0.00 H new ATOM 0 HE ARG A 62 7.270 -0.788 -11.995 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.474 -1.475 -13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.896 -2.814 -14.351 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.522 -2.518 -13.286 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.652 -3.406 -14.313 1.00 0.00 H new ATOM 915 N LEU A 63 7.688 1.992 -7.663 1.00 0.00 N ATOM 916 CA LEU A 63 6.422 1.603 -7.065 1.00 0.00 C ATOM 917 C LEU A 63 5.667 2.856 -6.618 1.00 0.00 C ATOM 918 O LEU A 63 4.496 3.033 -6.953 1.00 0.00 O ATOM 919 CB LEU A 63 6.649 0.589 -5.942 1.00 0.00 C ATOM 920 CG LEU A 63 5.522 0.461 -4.915 1.00 0.00 C ATOM 921 CD1 LEU A 63 4.272 -0.155 -5.546 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.987 -0.319 -3.684 1.00 0.00 C ATOM 0 H LEU A 63 8.513 1.737 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 63 5.794 1.097 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.817 -0.390 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.564 0.859 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 63 5.252 1.462 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.487 -0.235 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.928 0.477 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.509 -1.147 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.167 -0.395 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.301 -1.319 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.825 0.200 -3.219 1.00 0.00 H new ATOM 934 N VAL A 64 6.367 3.695 -5.868 1.00 0.00 N ATOM 935 CA VAL A 64 5.778 4.926 -5.372 1.00 0.00 C ATOM 936 C VAL A 64 5.350 5.796 -6.557 1.00 0.00 C ATOM 937 O VAL A 64 4.317 6.460 -6.503 1.00 0.00 O ATOM 938 CB VAL A 64 6.757 5.635 -4.434 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.105 6.855 -3.780 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.299 4.670 -3.377 1.00 0.00 C ATOM 0 H VAL A 64 7.338 3.546 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 64 4.884 4.712 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 64 7.599 5.986 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.823 7.340 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.791 7.557 -4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.236 6.538 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.992 5.199 -2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.472 4.276 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.819 3.847 -3.868 1.00 0.00 H new ATOM 950 N GLU A 65 6.168 5.763 -7.599 1.00 0.00 N ATOM 951 CA GLU A 65 5.887 6.539 -8.794 1.00 0.00 C ATOM 952 C GLU A 65 4.649 5.990 -9.506 1.00 0.00 C ATOM 953 O GLU A 65 3.847 6.753 -10.041 1.00 0.00 O ATOM 954 CB GLU A 65 7.096 6.557 -9.733 1.00 0.00 C ATOM 955 CG GLU A 65 8.135 7.580 -9.270 1.00 0.00 C ATOM 956 CD GLU A 65 8.057 8.858 -10.108 1.00 0.00 C ATOM 957 OE1 GLU A 65 7.994 8.719 -11.349 1.00 0.00 O ATOM 958 OE2 GLU A 65 8.063 9.944 -9.490 1.00 0.00 O ATOM 0 H GLU A 65 7.025 5.211 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 65 5.684 7.567 -8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.548 5.566 -9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.771 6.796 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.972 7.819 -8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.134 7.150 -9.348 1.00 0.00 H new ATOM 965 N GLU A 66 4.533 4.670 -9.488 1.00 0.00 N ATOM 966 CA GLU A 66 3.406 4.010 -10.125 1.00 0.00 C ATOM 967 C GLU A 66 2.103 4.375 -9.410 1.00 0.00 C ATOM 968 O GLU A 66 1.169 4.877 -10.033 1.00 0.00 O ATOM 969 CB GLU A 66 3.606 2.494 -10.158 1.00 0.00 C ATOM 970 CG GLU A 66 4.573 2.093 -11.275 1.00 0.00 C ATOM 971 CD GLU A 66 3.913 1.109 -12.244 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.164 1.593 -13.120 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.173 -0.103 -12.087 1.00 0.00 O ATOM 0 H GLU A 66 5.200 4.040 -9.043 1.00 0.00 H new ATOM 0 HA GLU A 66 3.342 4.358 -11.156 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.993 2.154 -9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.646 2.000 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.896 2.981 -11.817 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.466 1.640 -10.843 1.00 0.00 H new ATOM 980 N VAL A 67 2.083 4.109 -8.112 1.00 0.00 N ATOM 981 CA VAL A 67 0.911 4.404 -7.306 1.00 0.00 C ATOM 982 C VAL A 67 0.581 5.893 -7.419 1.00 0.00 C ATOM 983 O VAL A 67 -0.556 6.300 -7.185 1.00 0.00 O ATOM 984 CB VAL A 67 1.141 3.950 -5.863 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.098 4.209 -5.003 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.547 2.476 -5.810 1.00 0.00 C ATOM 0 H VAL A 67 2.860 3.692 -7.599 1.00 0.00 H new ATOM 0 HA VAL A 67 0.046 3.851 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 67 1.962 4.538 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.092 3.877 -3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.324 5.275 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.946 3.659 -5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.704 2.179 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.757 1.865 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.469 2.332 -6.373 1.00 0.00 H new ATOM 996 N LYS A 68 1.596 6.666 -7.776 1.00 0.00 N ATOM 997 CA LYS A 68 1.427 8.102 -7.923 1.00 0.00 C ATOM 998 C LYS A 68 0.427 8.382 -9.046 1.00 0.00 C ATOM 999 O LYS A 68 -0.420 9.265 -8.922 1.00 0.00 O ATOM 1000 CB LYS A 68 2.783 8.783 -8.122 1.00 0.00 C ATOM 1001 CG LYS A 68 3.132 9.671 -6.926 1.00 0.00 C ATOM 1002 CD LYS A 68 4.408 9.183 -6.236 1.00 0.00 C ATOM 1003 CE LYS A 68 5.129 10.338 -5.538 1.00 0.00 C ATOM 1004 NZ LYS A 68 6.138 9.820 -4.588 1.00 0.00 N ATOM 0 H LYS A 68 2.538 6.325 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 68 1.011 8.532 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.557 8.027 -8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.762 9.383 -9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.265 10.700 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.306 9.670 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.160 8.411 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.071 8.726 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.612 10.974 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.406 10.958 -5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.784 10.588 -4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.660 9.452 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.680 9.055 -5.039 1.00 0.00 H new ATOM 1018 N GLU A 69 0.559 7.614 -10.117 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.323 7.768 -11.262 1.00 0.00 C ATOM 1020 C GLU A 69 -1.724 7.253 -10.926 1.00 0.00 C ATOM 1021 O GLU A 69 -2.707 7.680 -11.529 1.00 0.00 O ATOM 1022 CB GLU A 69 0.244 7.054 -12.491 1.00 0.00 C ATOM 1023 CG GLU A 69 1.740 7.337 -12.648 1.00 0.00 C ATOM 1024 CD GLU A 69 2.042 7.939 -14.022 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.321 8.890 -14.396 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.987 7.436 -14.667 1.00 0.00 O ATOM 0 H GLU A 69 1.263 6.883 -10.217 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.395 8.829 -11.500 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.081 5.980 -12.400 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.288 7.382 -13.384 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.068 8.022 -11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.304 6.413 -12.520 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.769 6.341 -9.965 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.034 5.763 -9.542 1.00 0.00 C ATOM 1035 C LEU A 70 -3.916 6.860 -8.944 1.00 0.00 C ATOM 1036 O LEU A 70 -5.076 7.006 -9.327 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.794 4.584 -8.598 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.478 3.243 -9.265 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.252 2.150 -8.219 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.568 2.861 -10.268 1.00 0.00 C ATOM 0 H LEU A 70 -0.951 5.989 -9.468 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.571 5.353 -10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.969 4.839 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.679 4.457 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.548 3.349 -9.824 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.029 1.208 -8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.415 2.427 -7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.151 2.035 -7.613 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.320 1.905 -10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.525 2.778 -9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.637 3.628 -11.040 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.334 7.604 -8.015 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.053 8.683 -7.361 1.00 0.00 C ATOM 1054 C CYS A 71 -3.748 9.985 -8.106 1.00 0.00 C ATOM 1055 O CYS A 71 -4.298 11.035 -7.777 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.699 8.780 -5.875 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.102 9.496 -4.943 1.00 0.00 S ATOM 0 H CYS A 71 -2.372 7.480 -7.700 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.124 8.485 -7.400 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.459 7.791 -5.485 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.811 9.398 -5.744 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.792 9.572 -3.683 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.874 9.872 -9.094 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.489 11.027 -9.888 1.00 0.00 C ATOM 1065 C ASP A 72 -1.832 12.068 -8.981 1.00 0.00 C ATOM 1066 O ASP A 72 -2.380 13.150 -8.772 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.710 11.675 -10.545 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.445 13.027 -11.210 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.274 13.258 -11.578 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.421 13.799 -11.334 1.00 0.00 O ATOM 0 H ASP A 72 -2.421 8.999 -9.363 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.799 10.690 -10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.107 10.990 -11.294 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.485 11.804 -9.789 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.666 11.706 -8.466 1.00 0.00 N ATOM 1076 CA GLY A 73 0.072 12.596 -7.586 1.00 0.00 C ATOM 1077 C GLY A 73 -0.097 12.184 -6.122 1.00 0.00 C ATOM 1078 O GLY A 73 -0.220 13.036 -5.243 1.00 0.00 O ATOM 0 H GLY A 73 -0.214 10.808 -8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.129 12.582 -7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.277 13.620 -7.722 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.097 10.877 -5.905 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.249 10.341 -4.563 1.00 0.00 C ATOM 1084 C LEU A 74 0.870 10.884 -3.672 1.00 0.00 C ATOM 1085 O LEU A 74 2.021 10.972 -4.098 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.317 8.813 -4.601 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.475 8.115 -3.249 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.742 8.588 -2.532 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.443 6.594 -3.409 1.00 0.00 C ATOM 0 H LEU A 74 0.006 10.173 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.193 10.669 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.153 8.522 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.591 8.440 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 74 0.373 8.391 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.830 8.076 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.686 9.664 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.614 8.361 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.557 6.123 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.258 6.280 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.509 6.294 -3.847 1.00 0.00 H new ATOM 1101 N GLU A 75 0.493 11.235 -2.451 1.00 0.00 N ATOM 1102 CA GLU A 75 1.451 11.768 -1.497 1.00 0.00 C ATOM 1103 C GLU A 75 2.262 10.633 -0.869 1.00 0.00 C ATOM 1104 O GLU A 75 2.257 10.460 0.348 1.00 0.00 O ATOM 1105 CB GLU A 75 0.748 12.599 -0.421 1.00 0.00 C ATOM 1106 CG GLU A 75 -0.306 11.767 0.312 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.760 12.466 1.596 1.00 0.00 C ATOM 1108 OE1 GLU A 75 0.134 12.934 2.333 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -1.991 12.516 1.810 1.00 0.00 O ATOM 0 H GLU A 75 -0.462 11.161 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 75 2.137 12.427 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.482 12.973 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.276 13.469 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.164 11.604 -0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.103 10.786 0.553 1.00 0.00 H new ATOM 1116 N LEU A 76 2.941 9.888 -1.730 1.00 0.00 N ATOM 1117 CA LEU A 76 3.756 8.774 -1.275 1.00 0.00 C ATOM 1118 C LEU A 76 5.234 9.162 -1.356 1.00 0.00 C ATOM 1119 O LEU A 76 5.602 10.064 -2.107 1.00 0.00 O ATOM 1120 CB LEU A 76 3.410 7.504 -2.055 1.00 0.00 C ATOM 1121 CG LEU A 76 3.807 6.182 -1.394 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.854 5.834 -0.249 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.896 5.057 -2.427 1.00 0.00 C ATOM 0 H LEU A 76 2.943 10.034 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 76 3.543 8.547 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.334 7.491 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.892 7.558 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 76 4.800 6.301 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.158 4.890 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.884 6.623 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.839 5.740 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.180 4.129 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.927 4.929 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.645 5.311 -3.178 1.00 0.00 H new ATOM 1135 N GLU A 77 6.040 8.461 -0.573 1.00 0.00 N ATOM 1136 CA GLU A 77 7.470 8.722 -0.547 1.00 0.00 C ATOM 1137 C GLU A 77 8.242 7.419 -0.331 1.00 0.00 C ATOM 1138 O GLU A 77 7.697 6.449 0.194 1.00 0.00 O ATOM 1139 CB GLU A 77 7.820 9.752 0.528 1.00 0.00 C ATOM 1140 CG GLU A 77 6.769 9.762 1.641 1.00 0.00 C ATOM 1141 CD GLU A 77 7.266 10.546 2.857 1.00 0.00 C ATOM 1142 OE1 GLU A 77 8.449 10.352 3.213 1.00 0.00 O ATOM 1143 OE2 GLU A 77 6.453 11.322 3.403 1.00 0.00 O ATOM 0 H GLU A 77 5.731 7.713 0.048 1.00 0.00 H new ATOM 0 HA GLU A 77 7.762 9.139 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.799 9.525 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.889 10.743 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.845 10.206 1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.535 8.739 1.934 1.00 0.00 H new ATOM 1150 N ASN A 78 9.501 7.439 -0.746 1.00 0.00 N ATOM 1151 CA ASN A 78 10.354 6.271 -0.604 1.00 0.00 C ATOM 1152 C ASN A 78 10.299 5.777 0.843 1.00 0.00 C ATOM 1153 O ASN A 78 10.406 4.579 1.098 1.00 0.00 O ATOM 1154 CB ASN A 78 11.809 6.609 -0.934 1.00 0.00 C ATOM 1155 CG ASN A 78 11.922 7.257 -2.315 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.489 6.717 -3.320 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.527 8.441 -2.309 1.00 0.00 N ATOM 0 H ASN A 78 9.950 8.245 -1.180 1.00 0.00 H new ATOM 0 HA ASN A 78 9.996 5.506 -1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.210 7.284 -0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.413 5.702 -0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.652 8.954 -3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.866 8.836 -1.432 1.00 0.00 H new ATOM 1164 N GLU A 79 10.132 6.726 1.752 1.00 0.00 N ATOM 1165 CA GLU A 79 10.062 6.403 3.167 1.00 0.00 C ATOM 1166 C GLU A 79 8.856 5.503 3.447 1.00 0.00 C ATOM 1167 O GLU A 79 8.980 4.487 4.129 1.00 0.00 O ATOM 1168 CB GLU A 79 10.006 7.674 4.018 1.00 0.00 C ATOM 1169 CG GLU A 79 11.295 7.851 4.823 1.00 0.00 C ATOM 1170 CD GLU A 79 11.086 8.822 5.987 1.00 0.00 C ATOM 1171 OE1 GLU A 79 10.187 8.539 6.808 1.00 0.00 O ATOM 1172 OE2 GLU A 79 11.829 9.826 6.029 1.00 0.00 O ATOM 0 H GLU A 79 10.043 7.719 1.536 1.00 0.00 H new ATOM 0 HA GLU A 79 10.967 5.861 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.853 8.540 3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.154 7.625 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.625 6.885 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.086 8.223 4.172 1.00 0.00 H new ATOM 1179 N ASP A 80 7.717 5.909 2.905 1.00 0.00 N ATOM 1180 CA ASP A 80 6.490 5.152 3.088 1.00 0.00 C ATOM 1181 C ASP A 80 6.767 3.670 2.827 1.00 0.00 C ATOM 1182 O ASP A 80 6.332 2.810 3.591 1.00 0.00 O ATOM 1183 CB ASP A 80 5.409 5.611 2.108 1.00 0.00 C ATOM 1184 CG ASP A 80 4.744 6.944 2.456 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.405 7.116 3.647 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.590 7.762 1.524 1.00 0.00 O ATOM 0 H ASP A 80 7.618 6.752 2.339 1.00 0.00 H new ATOM 0 HA ASP A 80 6.143 5.313 4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.851 5.691 1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.639 4.841 2.053 1.00 0.00 H new ATOM 1191 N VAL A 81 7.488 3.417 1.745 1.00 0.00 N ATOM 1192 CA VAL A 81 7.828 2.054 1.373 1.00 0.00 C ATOM 1193 C VAL A 81 8.708 1.438 2.463 1.00 0.00 C ATOM 1194 O VAL A 81 8.454 0.322 2.914 1.00 0.00 O ATOM 1195 CB VAL A 81 8.486 2.037 -0.008 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.808 0.606 -0.443 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.606 2.740 -1.043 1.00 0.00 C ATOM 0 H VAL A 81 7.846 4.133 1.113 1.00 0.00 H new ATOM 0 HA VAL A 81 6.929 1.443 1.297 1.00 0.00 H new ATOM 0 HB VAL A 81 9.425 2.586 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.275 0.621 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.491 0.152 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.888 0.023 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.097 2.714 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.644 2.232 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.449 3.776 -0.744 1.00 0.00 H new ATOM 1207 N TYR A 82 9.726 2.191 2.853 1.00 0.00 N ATOM 1208 CA TYR A 82 10.645 1.733 3.881 1.00 0.00 C ATOM 1209 C TYR A 82 9.910 1.473 5.198 1.00 0.00 C ATOM 1210 O TYR A 82 10.453 0.839 6.101 1.00 0.00 O ATOM 1211 CB TYR A 82 11.648 2.869 4.087 1.00 0.00 C ATOM 1212 CG TYR A 82 12.522 3.157 2.864 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.451 2.336 1.756 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.382 4.236 2.869 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.273 2.606 0.606 1.00 0.00 C ATOM 1216 CE2 TYR A 82 14.205 4.506 1.718 1.00 0.00 C ATOM 1217 CZ TYR A 82 14.109 3.678 0.643 1.00 0.00 C ATOM 1218 OH TYR A 82 14.886 3.934 -0.443 1.00 0.00 O ATOM 0 H TYR A 82 9.935 3.115 2.475 1.00 0.00 H new ATOM 0 HA TYR A 82 11.124 0.802 3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.105 3.775 4.354 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.292 2.623 4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.778 1.491 1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 82 13.438 4.878 3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.227 1.972 -0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.883 5.347 1.709 1.00 0.00 H new ATOM 0 HH TYR A 82 15.431 4.731 -0.275 1.00 0.00 H new ATOM 1228 N MET A 83 8.686 1.976 5.264 1.00 0.00 N ATOM 1229 CA MET A 83 7.871 1.806 6.455 1.00 0.00 C ATOM 1230 C MET A 83 6.962 0.582 6.328 1.00 0.00 C ATOM 1231 O MET A 83 6.837 -0.204 7.266 1.00 0.00 O ATOM 1232 CB MET A 83 7.017 3.056 6.672 1.00 0.00 C ATOM 1233 CG MET A 83 7.200 3.606 8.088 1.00 0.00 C ATOM 1234 SD MET A 83 6.930 2.311 9.286 1.00 0.00 S ATOM 1235 CE MET A 83 5.152 2.380 9.422 1.00 0.00 C ATOM 0 H MET A 83 8.239 2.501 4.512 1.00 0.00 H new ATOM 0 HA MET A 83 8.534 1.656 7.307 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.291 3.819 5.943 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.967 2.817 6.504 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.204 4.014 8.201 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.502 4.425 8.262 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.812 1.630 10.136 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.851 3.370 9.765 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.705 2.182 8.448 1.00 0.00 H new ATOM 1245 N ALA A 84 6.350 0.459 5.159 1.00 0.00 N ATOM 1246 CA ALA A 84 5.456 -0.656 4.896 1.00 0.00 C ATOM 1247 C ALA A 84 5.983 -1.458 3.704 1.00 0.00 C ATOM 1248 O ALA A 84 5.628 -1.181 2.560 1.00 0.00 O ATOM 1249 CB ALA A 84 4.038 -0.130 4.664 1.00 0.00 C ATOM 0 H ALA A 84 6.456 1.113 4.383 1.00 0.00 H new ATOM 0 HA ALA A 84 5.418 -1.328 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.367 -0.966 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.699 0.406 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.036 0.546 3.809 1.00 0.00 H new ATOM 1255 N SER A 85 6.823 -2.435 4.014 1.00 0.00 N ATOM 1256 CA SER A 85 7.403 -3.278 2.983 1.00 0.00 C ATOM 1257 C SER A 85 6.353 -4.261 2.459 1.00 0.00 C ATOM 1258 O SER A 85 6.272 -4.505 1.256 1.00 0.00 O ATOM 1259 CB SER A 85 8.622 -4.036 3.512 1.00 0.00 C ATOM 1260 OG SER A 85 8.271 -4.968 4.531 1.00 0.00 O ATOM 0 H SER A 85 7.116 -2.661 4.965 1.00 0.00 H new ATOM 0 HA SER A 85 7.734 -2.639 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.106 -4.563 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.348 -3.325 3.906 1.00 0.00 H new ATOM 0 HG SER A 85 8.940 -5.683 4.564 1.00 0.00 H new ATOM 1266 N THR A 86 5.577 -4.798 3.388 1.00 0.00 N ATOM 1267 CA THR A 86 4.536 -5.749 3.035 1.00 0.00 C ATOM 1268 C THR A 86 3.342 -5.025 2.409 1.00 0.00 C ATOM 1269 O THR A 86 3.041 -3.889 2.772 1.00 0.00 O ATOM 1270 CB THR A 86 4.174 -6.542 4.292 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.177 -5.567 5.331 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.274 -7.525 4.701 1.00 0.00 C ATOM 0 H THR A 86 5.648 -4.593 4.385 1.00 0.00 H new ATOM 0 HA THR A 86 4.883 -6.452 2.278 1.00 0.00 H new ATOM 0 HB THR A 86 3.245 -7.086 4.122 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.950 -5.996 6.183 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.967 -8.062 5.598 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.445 -8.236 3.893 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.195 -6.977 4.903 1.00 0.00 H new ATOM 1280 N PHE A 87 2.695 -5.712 1.480 1.00 0.00 N ATOM 1281 CA PHE A 87 1.540 -5.149 0.801 1.00 0.00 C ATOM 1282 C PHE A 87 0.434 -4.799 1.798 1.00 0.00 C ATOM 1283 O PHE A 87 -0.130 -3.707 1.746 1.00 0.00 O ATOM 1284 CB PHE A 87 1.023 -6.219 -0.163 1.00 0.00 C ATOM 1285 CG PHE A 87 -0.069 -5.724 -1.114 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.249 -4.890 -2.140 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.358 -6.118 -0.932 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.764 -4.431 -3.022 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.372 -5.658 -1.815 1.00 0.00 C ATOM 1290 CZ PHE A 87 -2.053 -4.825 -2.841 1.00 0.00 C ATOM 0 H PHE A 87 2.948 -6.654 1.181 1.00 0.00 H new ATOM 0 HA PHE A 87 1.824 -4.235 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.859 -6.598 -0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.634 -7.057 0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.273 -4.577 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.611 -6.780 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.511 -3.769 -3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.396 -5.970 -1.671 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.823 -4.476 -3.513 1.00 0.00 H new ATOM 1300 N GLY A 88 0.157 -5.746 2.682 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.872 -5.551 3.689 1.00 0.00 C ATOM 1302 C GLY A 88 -0.654 -4.242 4.450 1.00 0.00 C ATOM 1303 O GLY A 88 -1.575 -3.438 4.586 1.00 0.00 O ATOM 0 H GLY A 88 0.627 -6.650 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.853 -5.541 3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.865 -6.387 4.388 1.00 0.00 H new ATOM 1307 N ASP A 89 0.571 -4.068 4.926 1.00 0.00 N ATOM 1308 CA ASP A 89 0.921 -2.870 5.669 1.00 0.00 C ATOM 1309 C ASP A 89 0.852 -1.658 4.737 1.00 0.00 C ATOM 1310 O ASP A 89 0.299 -0.622 5.101 1.00 0.00 O ATOM 1311 CB ASP A 89 2.345 -2.962 6.221 1.00 0.00 C ATOM 1312 CG ASP A 89 2.632 -2.059 7.423 1.00 0.00 C ATOM 1313 OD1 ASP A 89 2.740 -0.834 7.199 1.00 0.00 O ATOM 1314 OD2 ASP A 89 2.737 -2.614 8.538 1.00 0.00 O ATOM 0 H ASP A 89 1.333 -4.737 4.811 1.00 0.00 H new ATOM 0 HA ASP A 89 0.219 -2.769 6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.542 -3.995 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.045 -2.713 5.423 1.00 0.00 H new ATOM 1319 N PHE A 90 1.423 -1.829 3.554 1.00 0.00 N ATOM 1320 CA PHE A 90 1.433 -0.762 2.567 1.00 0.00 C ATOM 1321 C PHE A 90 0.010 -0.315 2.229 1.00 0.00 C ATOM 1322 O PHE A 90 -0.334 0.853 2.399 1.00 0.00 O ATOM 1323 CB PHE A 90 2.092 -1.326 1.306 1.00 0.00 C ATOM 1324 CG PHE A 90 2.330 -0.285 0.211 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.468 0.459 0.215 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.403 -0.104 -0.768 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.689 1.425 -0.802 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.624 0.862 -1.785 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.763 1.606 -1.781 1.00 0.00 C ATOM 0 H PHE A 90 1.882 -2.690 3.256 1.00 0.00 H new ATOM 0 HA PHE A 90 1.973 0.101 2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.046 -1.777 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.465 -2.123 0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.204 0.315 0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.499 -0.695 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.593 2.016 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.888 1.006 -2.562 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.932 2.340 -2.555 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.779 -1.268 1.755 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.157 -0.987 1.391 1.00 0.00 C ATOM 1341 C ILE A 91 -2.787 -0.084 2.454 1.00 0.00 C ATOM 1342 O ILE A 91 -3.314 0.980 2.136 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.925 -2.289 1.156 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.444 -2.988 -0.117 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.435 -2.039 1.137 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.771 -2.154 -1.358 1.00 0.00 C ATOM 0 H ILE A 91 -0.490 -2.236 1.615 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.199 -0.445 0.446 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.720 -2.961 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.368 -3.155 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.915 -3.968 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.958 -2.981 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.746 -1.618 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.678 -1.341 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.418 -2.674 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.849 -2.009 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.279 -1.184 -1.285 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.711 -0.543 3.694 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.267 0.210 4.806 1.00 0.00 C ATOM 1360 C GLN A 92 -2.794 1.664 4.751 1.00 0.00 C ATOM 1361 O GLN A 92 -3.590 2.586 4.921 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.900 -0.436 6.143 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.942 -1.479 6.553 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.554 -2.155 5.324 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.836 -1.863 5.127 1.00 0.00 O flip ATOM 1366 NE2 GLN A 92 -3.904 -2.893 4.602 1.00 0.00 N flip ATOM 0 H GLN A 92 -2.273 -1.427 3.954 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.354 0.198 4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.920 -0.907 6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.826 0.331 6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.478 -2.230 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.728 -1.002 7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.922 -3.075 4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.342 -3.328 3.790 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.501 1.824 4.513 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.913 3.150 4.434 1.00 0.00 C ATOM 1377 C LEU A 93 -1.466 3.876 3.207 1.00 0.00 C ATOM 1378 O LEU A 93 -1.875 5.033 3.297 1.00 0.00 O ATOM 1379 CB LEU A 93 0.615 3.061 4.460 1.00 0.00 C ATOM 1380 CG LEU A 93 1.360 4.068 3.581 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.634 4.560 4.270 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.646 3.481 2.197 1.00 0.00 C ATOM 0 H LEU A 93 -0.844 1.057 4.372 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.190 3.742 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.949 3.190 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.906 2.056 4.154 1.00 0.00 H new ATOM 0 HG LEU A 93 0.717 4.936 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.144 5.274 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.375 5.043 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.292 3.713 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.176 4.217 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.260 2.586 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.706 3.221 1.711 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.461 3.168 2.087 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.957 3.730 0.843 1.00 0.00 C ATOM 1396 C LEU A 94 -3.413 4.164 1.029 1.00 0.00 C ATOM 1397 O LEU A 94 -3.738 5.340 0.877 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.752 2.746 -0.310 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.675 2.924 -1.517 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.234 4.112 -2.374 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.768 1.633 -2.332 1.00 0.00 C ATOM 0 H LEU A 94 -1.121 2.209 2.016 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.389 4.621 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.720 2.828 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.881 1.734 0.075 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.677 3.146 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.907 4.216 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.262 5.023 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.218 3.945 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.430 1.787 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.776 1.356 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.164 0.834 -1.705 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.250 3.190 1.356 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.663 3.457 1.565 1.00 0.00 C ATOM 1415 C VAL A 95 -5.819 4.720 2.414 1.00 0.00 C ATOM 1416 O VAL A 95 -6.754 5.494 2.215 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.340 2.233 2.185 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.766 2.562 2.631 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.329 1.050 1.215 1.00 0.00 C ATOM 0 H VAL A 95 -3.977 2.215 1.481 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.162 3.641 0.614 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.770 1.947 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.224 1.675 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.740 3.360 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.351 2.886 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.816 0.193 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.864 1.321 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.299 0.792 0.968 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.889 4.890 3.342 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.912 6.047 4.221 1.00 0.00 C ATOM 1431 C ARG A 96 -4.667 7.327 3.421 1.00 0.00 C ATOM 1432 O ARG A 96 -5.382 8.314 3.588 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.850 5.927 5.316 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.496 5.701 6.684 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.519 6.033 7.814 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.264 6.345 9.053 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.858 5.424 9.825 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -4.797 4.128 9.488 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -5.513 5.799 10.932 1.00 0.00 N ATOM 0 H ARG A 96 -4.115 4.246 3.504 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.896 6.089 4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.178 5.100 5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.244 6.833 5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.388 6.321 6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.819 4.663 6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.849 5.191 7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.897 6.882 7.530 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.330 7.322 9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.299 3.843 8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.249 3.427 10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.560 6.785 11.187 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.965 5.098 11.519 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.655 7.270 2.568 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.307 8.413 1.741 1.00 0.00 C ATOM 1455 C LYS A 97 -4.414 8.648 0.712 1.00 0.00 C ATOM 1456 O LYS A 97 -4.717 9.790 0.370 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.921 8.224 1.121 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.840 8.169 2.202 1.00 0.00 C ATOM 1459 CD LYS A 97 0.148 7.031 1.932 1.00 0.00 C ATOM 1460 CE LYS A 97 1.417 7.197 2.771 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.075 7.364 4.201 1.00 0.00 N ATOM 0 H LYS A 97 -3.064 6.450 2.432 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.239 9.316 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.903 7.304 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.711 9.043 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.306 9.119 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.304 8.029 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.322 6.075 2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.407 7.013 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.060 6.326 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.980 8.063 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.905 7.139 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.785 8.347 4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.294 6.723 4.448 1.00 0.00 H new ATOM 1475 N LEU A 98 -4.988 7.548 0.246 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.056 7.620 -0.738 1.00 0.00 C ATOM 1477 C LEU A 98 -7.293 8.251 -0.096 1.00 0.00 C ATOM 1478 O LEU A 98 -7.865 9.195 -0.639 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.315 6.242 -1.349 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.180 5.657 -2.192 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.687 4.520 -3.080 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.481 6.750 -3.003 1.00 0.00 C ATOM 0 H LEU A 98 -4.734 6.602 0.531 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.766 8.262 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.537 5.545 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.208 6.305 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.437 5.231 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.861 4.122 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.102 3.729 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.460 4.898 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.678 6.308 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.201 7.226 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.065 7.496 -2.326 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.669 7.705 1.051 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.828 8.203 1.773 1.00 0.00 C ATOM 1496 C ARG A 99 -8.680 9.701 2.046 1.00 0.00 C ATOM 1497 O ARG A 99 -9.604 10.475 1.802 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.009 7.464 3.100 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.711 6.121 2.889 1.00 0.00 C ATOM 1500 CD ARG A 99 -10.065 5.471 4.228 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.467 4.062 4.016 1.00 0.00 N ATOM 1502 CZ ARG A 99 -11.094 3.314 4.934 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -11.394 3.834 6.131 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -11.420 2.045 4.654 1.00 0.00 N ATOM 0 H ARG A 99 -7.192 6.923 1.498 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.706 8.029 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.037 7.301 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.591 8.079 3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.617 6.269 2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.065 5.455 2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.209 5.516 4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.876 6.021 4.706 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.253 3.634 3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.145 4.800 6.344 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.871 3.264 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.191 1.649 3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.897 1.475 5.352 1.00 0.00 H new