USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 763 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 59 HIS : no HD1:sc= 0.354 K(o=1.2,f=-1) USER MOD Set 1.2: A 61 TYR OH : rot 47:sc= 0.886 USER MOD Set 2.1: A 51 CYS SG : rot 180:sc= -0.277 USER MOD Set 2.2: A 60 THR OG1 : rot -94:sc= 0.00691 USER MOD Single : A 12 SER OG : rot -97:sc= 0.553 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -70:sc= 0.17 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.355 X(o=-0.35,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 75 THR OG1 : rot 152:sc= 0.0205 USER MOD Single : A 76 SER OG : rot 180:sc= 0.246 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0.17 K(o=0.17,f=-0.41) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -123:sc= -0.429 USER MOD Single : A 96 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.67) USER MOD Single : A 98 ASN : amide:sc=-0.000321 X(o=-0.00032,f=-0.49) USER MOD Single : A 99 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.3) USER MOD Single : A 103 CYS SG : rot 47:sc= -3.09! USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -1.031 -4.440 -13.663 1.00 0.00 N ATOM 182 CA SER A 12 -1.958 -4.968 -12.655 1.00 0.00 C ATOM 183 C SER A 12 -2.347 -3.860 -11.638 1.00 0.00 C ATOM 184 O SER A 12 -3.056 -2.915 -12.006 1.00 0.00 O ATOM 185 CB SER A 12 -1.398 -6.266 -12.005 1.00 0.00 C ATOM 186 OG SER A 12 -2.324 -6.837 -11.093 1.00 0.00 O ATOM 0 HA SER A 12 -2.888 -5.268 -13.139 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.161 -6.990 -12.784 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.467 -6.040 -11.485 1.00 0.00 H new ATOM 0 HG SER A 12 -2.103 -6.553 -10.181 1.00 0.00 H new ATOM 192 N TRP A 13 -1.836 -3.933 -10.395 1.00 0.00 N ATOM 193 CA TRP A 13 -2.099 -2.936 -9.339 1.00 0.00 C ATOM 194 C TRP A 13 -0.946 -1.925 -9.200 1.00 0.00 C ATOM 195 O TRP A 13 -0.912 -1.173 -8.241 1.00 0.00 O ATOM 196 CB TRP A 13 -2.381 -3.659 -7.981 1.00 0.00 C ATOM 197 CG TRP A 13 -1.545 -4.909 -7.737 1.00 0.00 C ATOM 198 CD1 TRP A 13 -1.966 -6.204 -7.847 1.00 0.00 C ATOM 199 CD2 TRP A 13 -0.153 -4.986 -7.379 1.00 0.00 C ATOM 200 NE1 TRP A 13 -0.947 -7.063 -7.562 1.00 0.00 N ATOM 201 CE2 TRP A 13 0.170 -6.350 -7.272 1.00 0.00 C ATOM 202 CE3 TRP A 13 0.842 -4.045 -7.125 1.00 0.00 C ATOM 203 CZ2 TRP A 13 1.446 -6.792 -6.950 1.00 0.00 C ATOM 204 CZ3 TRP A 13 2.106 -4.486 -6.800 1.00 0.00 C ATOM 205 CH2 TRP A 13 2.395 -5.848 -6.705 1.00 0.00 C ATOM 0 H TRP A 13 -1.224 -4.691 -10.092 1.00 0.00 H new ATOM 0 HA TRP A 13 -2.983 -2.367 -9.627 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.203 -2.956 -7.167 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.436 -3.931 -7.943 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.966 -6.505 -8.121 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.014 -8.081 -7.566 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.626 -2.988 -7.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.677 -7.846 -6.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.888 -3.764 -6.615 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.392 -6.159 -6.431 1.00 0.00 H new ATOM 216 N TYR A 14 -0.046 -1.848 -10.193 1.00 0.00 N ATOM 217 CA TYR A 14 1.124 -0.939 -10.145 1.00 0.00 C ATOM 218 C TYR A 14 0.940 0.115 -11.238 1.00 0.00 C ATOM 219 O TYR A 14 0.867 -0.221 -12.427 1.00 0.00 O ATOM 220 CB TYR A 14 2.481 -1.682 -10.309 1.00 0.00 C ATOM 221 CG TYR A 14 3.692 -0.725 -10.372 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.058 0.049 -9.266 1.00 0.00 C ATOM 223 CD2 TYR A 14 4.448 -0.577 -11.544 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.128 0.926 -9.323 1.00 0.00 C ATOM 225 CE2 TYR A 14 5.512 0.300 -11.603 1.00 0.00 C ATOM 226 CZ TYR A 14 5.852 1.048 -10.493 1.00 0.00 C ATOM 227 OH TYR A 14 6.910 1.931 -10.559 1.00 0.00 O ATOM 0 H TYR A 14 -0.102 -2.405 -11.046 1.00 0.00 H new ATOM 0 HA TYR A 14 1.167 -0.475 -9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.614 -2.372 -9.476 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.452 -2.282 -11.218 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.495 -0.039 -8.349 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.193 -1.160 -12.416 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.395 1.512 -8.456 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.079 0.401 -12.517 1.00 0.00 H new ATOM 0 HH TYR A 14 7.312 1.893 -11.452 1.00 0.00 H new ATOM 237 N HIS A 15 0.804 1.388 -10.832 1.00 0.00 N ATOM 238 CA HIS A 15 0.561 2.502 -11.752 1.00 0.00 C ATOM 239 C HIS A 15 1.527 3.657 -11.459 1.00 0.00 C ATOM 240 O HIS A 15 1.324 4.428 -10.517 1.00 0.00 O ATOM 241 CB HIS A 15 -0.911 2.989 -11.636 1.00 0.00 C ATOM 242 CG HIS A 15 -1.945 1.957 -11.997 1.00 0.00 C ATOM 243 ND1 HIS A 15 -2.622 1.969 -13.194 1.00 0.00 N ATOM 244 CD2 HIS A 15 -2.405 0.874 -11.323 1.00 0.00 C ATOM 245 CE1 HIS A 15 -3.443 0.942 -13.242 1.00 0.00 C ATOM 246 NE2 HIS A 15 -3.333 0.259 -12.120 1.00 0.00 N ATOM 0 H HIS A 15 0.860 1.670 -9.853 1.00 0.00 H new ATOM 0 HA HIS A 15 0.733 2.153 -12.770 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.090 3.321 -10.613 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.044 3.858 -12.281 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.096 0.555 -10.338 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.099 0.699 -14.065 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.853 -0.587 -11.885 1.00 0.00 H new ATOM 255 N ARG A 16 2.600 3.742 -12.251 1.00 0.00 N ATOM 256 CA ARG A 16 3.485 4.921 -12.281 1.00 0.00 C ATOM 257 C ARG A 16 2.720 6.058 -13.002 1.00 0.00 C ATOM 258 O ARG A 16 1.850 5.754 -13.836 1.00 0.00 O ATOM 259 CB ARG A 16 4.838 4.544 -12.988 1.00 0.00 C ATOM 260 CG ARG A 16 6.069 5.432 -12.628 1.00 0.00 C ATOM 261 CD ARG A 16 6.107 6.805 -13.333 1.00 0.00 C ATOM 262 NE ARG A 16 7.003 7.752 -12.642 1.00 0.00 N ATOM 263 CZ ARG A 16 7.504 8.877 -13.168 1.00 0.00 C ATOM 264 NH1 ARG A 16 7.333 9.174 -14.446 1.00 0.00 N ATOM 265 NH2 ARG A 16 8.199 9.698 -12.397 1.00 0.00 N ATOM 0 H ARG A 16 2.883 2.999 -12.890 1.00 0.00 H new ATOM 0 HA ARG A 16 3.747 5.262 -11.279 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.077 3.509 -12.742 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.686 4.589 -14.066 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.080 5.593 -11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.979 4.886 -12.878 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.440 6.676 -14.363 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.100 7.221 -13.373 1.00 0.00 H new ATOM 0 HE ARG A 16 7.263 7.531 -11.681 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.811 8.541 -15.051 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.723 10.036 -14.826 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.348 9.471 -11.414 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.586 10.558 -12.786 1.00 0.00 H new ATOM 279 N ASP A 17 3.001 7.347 -12.655 1.00 0.00 N ATOM 280 CA ASP A 17 2.293 8.544 -13.183 1.00 0.00 C ATOM 281 C ASP A 17 0.933 8.756 -12.471 1.00 0.00 C ATOM 282 O ASP A 17 0.193 9.693 -12.773 1.00 0.00 O ATOM 283 CB ASP A 17 2.172 8.535 -14.751 1.00 0.00 C ATOM 284 CG ASP A 17 1.550 9.806 -15.365 1.00 0.00 C ATOM 285 OD1 ASP A 17 2.178 10.881 -15.286 1.00 0.00 O ATOM 286 OD2 ASP A 17 0.412 9.740 -15.900 1.00 0.00 O ATOM 0 H ASP A 17 3.738 7.584 -11.990 1.00 0.00 H new ATOM 0 HA ASP A 17 2.909 9.412 -12.948 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.166 8.393 -15.176 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.572 7.675 -15.049 1.00 0.00 H new ATOM 291 N LEU A 18 0.619 7.920 -11.468 1.00 0.00 N ATOM 292 CA LEU A 18 -0.626 8.032 -10.690 1.00 0.00 C ATOM 293 C LEU A 18 -0.326 8.750 -9.364 1.00 0.00 C ATOM 294 O LEU A 18 0.545 8.307 -8.611 1.00 0.00 O ATOM 295 CB LEU A 18 -1.212 6.614 -10.435 1.00 0.00 C ATOM 296 CG LEU A 18 -2.586 6.543 -9.700 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.687 7.268 -10.498 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.983 5.080 -9.394 1.00 0.00 C ATOM 0 H LEU A 18 1.219 7.149 -11.174 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.365 8.611 -11.244 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.315 6.111 -11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.486 6.046 -9.854 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.477 7.061 -8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.632 7.200 -9.959 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.415 8.316 -10.623 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.794 6.801 -11.477 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.945 5.064 -8.882 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.059 4.521 -10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.225 4.623 -8.758 1.00 0.00 H new ATOM 310 N SER A 19 -1.029 9.864 -9.098 1.00 0.00 N ATOM 311 CA SER A 19 -0.913 10.625 -7.834 1.00 0.00 C ATOM 312 C SER A 19 -1.758 9.949 -6.734 1.00 0.00 C ATOM 313 O SER A 19 -2.641 9.160 -7.057 1.00 0.00 O ATOM 314 CB SER A 19 -1.371 12.087 -8.061 1.00 0.00 C ATOM 315 OG SER A 19 -2.724 12.158 -8.497 1.00 0.00 O ATOM 0 H SER A 19 -1.698 10.267 -9.754 1.00 0.00 H new ATOM 0 HA SER A 19 0.127 10.634 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.258 12.651 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.726 12.559 -8.802 1.00 0.00 H new ATOM 0 HG SER A 19 -2.977 13.096 -8.628 1.00 0.00 H new ATOM 321 N ARG A 20 -1.486 10.243 -5.437 1.00 0.00 N ATOM 322 CA ARG A 20 -2.236 9.628 -4.310 1.00 0.00 C ATOM 323 C ARG A 20 -3.720 10.036 -4.306 1.00 0.00 C ATOM 324 O ARG A 20 -4.581 9.242 -3.928 1.00 0.00 O ATOM 325 CB ARG A 20 -1.548 9.943 -2.945 1.00 0.00 C ATOM 326 CG ARG A 20 -1.367 11.444 -2.574 1.00 0.00 C ATOM 327 CD ARG A 20 -2.582 12.068 -1.856 1.00 0.00 C ATOM 328 NE ARG A 20 -2.444 13.520 -1.682 1.00 0.00 N ATOM 329 CZ ARG A 20 -3.464 14.385 -1.576 1.00 0.00 C ATOM 330 NH1 ARG A 20 -4.729 13.971 -1.589 1.00 0.00 N ATOM 331 NH2 ARG A 20 -3.200 15.674 -1.441 1.00 0.00 N ATOM 0 H ARG A 20 -0.759 10.897 -5.146 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.213 8.548 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.129 9.467 -2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.564 9.473 -2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.490 11.546 -1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.166 12.010 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.486 11.858 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.705 11.598 -0.880 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.499 13.900 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.939 12.977 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.488 14.648 -1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.233 15.997 -1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.964 16.345 -1.359 1.00 0.00 H new ATOM 345 N ALA A 21 -3.984 11.291 -4.706 1.00 0.00 N ATOM 346 CA ALA A 21 -5.348 11.827 -4.858 1.00 0.00 C ATOM 347 C ALA A 21 -6.125 11.042 -5.923 1.00 0.00 C ATOM 348 O ALA A 21 -7.253 10.602 -5.682 1.00 0.00 O ATOM 349 CB ALA A 21 -5.291 13.319 -5.213 1.00 0.00 C ATOM 0 H ALA A 21 -3.254 11.966 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.874 11.715 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.304 13.706 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.779 13.863 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.749 13.450 -6.150 1.00 0.00 H new ATOM 355 N ALA A 22 -5.484 10.857 -7.089 1.00 0.00 N ATOM 356 CA ALA A 22 -6.069 10.106 -8.217 1.00 0.00 C ATOM 357 C ALA A 22 -6.134 8.588 -7.926 1.00 0.00 C ATOM 358 O ALA A 22 -6.981 7.889 -8.481 1.00 0.00 O ATOM 359 CB ALA A 22 -5.276 10.394 -9.503 1.00 0.00 C ATOM 0 H ALA A 22 -4.550 11.221 -7.278 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.097 10.443 -8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.712 9.837 -10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.314 11.461 -9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.239 10.088 -9.367 1.00 0.00 H new ATOM 365 N ALA A 23 -5.226 8.097 -7.056 1.00 0.00 N ATOM 366 CA ALA A 23 -5.162 6.674 -6.650 1.00 0.00 C ATOM 367 C ALA A 23 -6.335 6.318 -5.731 1.00 0.00 C ATOM 368 O ALA A 23 -7.066 5.369 -5.989 1.00 0.00 O ATOM 369 CB ALA A 23 -3.826 6.371 -5.941 1.00 0.00 C ATOM 0 H ALA A 23 -4.514 8.677 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.228 6.064 -7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.798 5.321 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.999 6.582 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.736 6.996 -5.052 1.00 0.00 H new ATOM 375 N GLU A 24 -6.466 7.094 -4.650 1.00 0.00 N ATOM 376 CA GLU A 24 -7.569 7.004 -3.673 1.00 0.00 C ATOM 377 C GLU A 24 -8.944 7.174 -4.354 1.00 0.00 C ATOM 378 O GLU A 24 -9.904 6.474 -4.011 1.00 0.00 O ATOM 379 CB GLU A 24 -7.313 8.084 -2.570 1.00 0.00 C ATOM 380 CG GLU A 24 -8.392 8.249 -1.468 1.00 0.00 C ATOM 381 CD GLU A 24 -9.581 9.161 -1.842 1.00 0.00 C ATOM 382 OE1 GLU A 24 -9.341 10.325 -2.234 1.00 0.00 O ATOM 383 OE2 GLU A 24 -10.750 8.727 -1.746 1.00 0.00 O ATOM 0 H GLU A 24 -5.792 7.824 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.592 6.015 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.367 7.850 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.187 9.047 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.778 7.263 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.916 8.649 -0.573 1.00 0.00 H new ATOM 390 N GLU A 25 -9.001 8.105 -5.322 1.00 0.00 N ATOM 391 CA GLU A 25 -10.211 8.371 -6.126 1.00 0.00 C ATOM 392 C GLU A 25 -10.560 7.139 -6.984 1.00 0.00 C ATOM 393 O GLU A 25 -11.719 6.718 -7.033 1.00 0.00 O ATOM 394 CB GLU A 25 -9.997 9.603 -7.041 1.00 0.00 C ATOM 395 CG GLU A 25 -11.222 9.990 -7.894 1.00 0.00 C ATOM 396 CD GLU A 25 -10.948 11.169 -8.840 1.00 0.00 C ATOM 397 OE1 GLU A 25 -10.348 10.953 -9.918 1.00 0.00 O ATOM 398 OE2 GLU A 25 -11.316 12.317 -8.511 1.00 0.00 O ATOM 0 H GLU A 25 -8.208 8.697 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.036 8.579 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.718 10.455 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.156 9.404 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.537 9.127 -8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.051 10.246 -7.234 1.00 0.00 H new ATOM 405 N LEU A 26 -9.527 6.586 -7.649 1.00 0.00 N ATOM 406 CA LEU A 26 -9.650 5.389 -8.510 1.00 0.00 C ATOM 407 C LEU A 26 -10.145 4.182 -7.686 1.00 0.00 C ATOM 408 O LEU A 26 -11.045 3.471 -8.123 1.00 0.00 O ATOM 409 CB LEU A 26 -8.282 5.092 -9.218 1.00 0.00 C ATOM 410 CG LEU A 26 -8.245 4.034 -10.384 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.156 2.579 -9.876 1.00 0.00 C ATOM 412 CD2 LEU A 26 -9.435 4.230 -11.349 1.00 0.00 C ATOM 0 H LEU A 26 -8.578 6.958 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.391 5.579 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.905 6.034 -9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.579 4.764 -8.453 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.325 4.214 -10.940 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.134 1.897 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.247 2.454 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.024 2.357 -9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.385 3.486 -12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.370 4.113 -10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.391 5.229 -11.783 1.00 0.00 H new ATOM 424 N LEU A 27 -9.574 4.001 -6.477 1.00 0.00 N ATOM 425 CA LEU A 27 -9.930 2.890 -5.567 1.00 0.00 C ATOM 426 C LEU A 27 -11.388 3.037 -5.094 1.00 0.00 C ATOM 427 O LEU A 27 -12.134 2.062 -5.055 1.00 0.00 O ATOM 428 CB LEU A 27 -8.967 2.856 -4.338 1.00 0.00 C ATOM 429 CG LEU A 27 -7.485 2.448 -4.609 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.623 2.589 -3.333 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.385 1.023 -5.199 1.00 0.00 C ATOM 0 H LEU A 27 -8.854 4.620 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.828 1.952 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.968 3.845 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.380 2.164 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.089 3.137 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.596 2.298 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.641 3.625 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.023 1.944 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.338 0.774 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.815 0.308 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.931 0.980 -6.142 1.00 0.00 H new ATOM 443 N ALA A 28 -11.774 4.283 -4.765 1.00 0.00 N ATOM 444 CA ALA A 28 -13.121 4.618 -4.248 1.00 0.00 C ATOM 445 C ALA A 28 -14.209 4.412 -5.322 1.00 0.00 C ATOM 446 O ALA A 28 -15.335 3.995 -5.020 1.00 0.00 O ATOM 447 CB ALA A 28 -13.141 6.067 -3.730 1.00 0.00 C ATOM 0 H ALA A 28 -11.160 5.093 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.343 3.941 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.135 6.305 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.412 6.177 -2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.890 6.748 -4.543 1.00 0.00 H new ATOM 453 N ARG A 29 -13.845 4.715 -6.573 1.00 0.00 N ATOM 454 CA ARG A 29 -14.735 4.579 -7.739 1.00 0.00 C ATOM 455 C ARG A 29 -14.837 3.099 -8.175 1.00 0.00 C ATOM 456 O ARG A 29 -15.873 2.662 -8.690 1.00 0.00 O ATOM 457 CB ARG A 29 -14.196 5.464 -8.900 1.00 0.00 C ATOM 458 CG ARG A 29 -15.086 5.526 -10.165 1.00 0.00 C ATOM 459 CD ARG A 29 -14.489 6.433 -11.261 1.00 0.00 C ATOM 460 NE ARG A 29 -15.313 6.459 -12.493 1.00 0.00 N ATOM 461 CZ ARG A 29 -16.115 7.468 -12.874 1.00 0.00 C ATOM 462 NH1 ARG A 29 -16.333 8.515 -12.085 1.00 0.00 N ATOM 463 NH2 ARG A 29 -16.717 7.411 -14.052 1.00 0.00 N ATOM 0 H ARG A 29 -12.917 5.065 -6.810 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.737 4.914 -7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.058 6.478 -8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.212 5.094 -9.188 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.218 4.520 -10.562 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.075 5.894 -9.892 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.390 7.447 -10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.485 6.086 -11.507 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.268 5.643 -13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.888 8.565 -11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.946 9.269 -12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.570 6.606 -14.661 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.328 8.172 -14.350 1.00 0.00 H new ATOM 477 N ALA A 30 -13.753 2.338 -7.954 1.00 0.00 N ATOM 478 CA ALA A 30 -13.621 0.960 -8.459 1.00 0.00 C ATOM 479 C ALA A 30 -14.199 -0.102 -7.505 1.00 0.00 C ATOM 480 O ALA A 30 -15.124 -0.830 -7.878 1.00 0.00 O ATOM 481 CB ALA A 30 -12.152 0.665 -8.743 1.00 0.00 C ATOM 0 H ALA A 30 -12.944 2.659 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.209 0.898 -9.375 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.051 -0.354 -9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.778 1.364 -9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.575 0.773 -7.825 1.00 0.00 H new ATOM 487 N GLY A 31 -13.642 -0.195 -6.284 1.00 0.00 N ATOM 488 CA GLY A 31 -13.939 -1.295 -5.349 1.00 0.00 C ATOM 489 C GLY A 31 -14.417 -0.798 -3.988 1.00 0.00 C ATOM 490 O GLY A 31 -15.456 -1.240 -3.474 1.00 0.00 O ATOM 0 H GLY A 31 -12.977 0.487 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.702 -1.940 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.045 -1.904 -5.215 1.00 0.00 H new ATOM 494 N ARG A 32 -13.654 0.174 -3.462 1.00 0.00 N ATOM 495 CA ARG A 32 -13.828 0.805 -2.130 1.00 0.00 C ATOM 496 C ARG A 32 -14.082 -0.198 -0.968 1.00 0.00 C ATOM 497 O ARG A 32 -14.854 0.085 -0.036 1.00 0.00 O ATOM 498 CB ARG A 32 -14.937 1.899 -2.222 1.00 0.00 C ATOM 499 CG ARG A 32 -14.895 2.969 -1.101 1.00 0.00 C ATOM 500 CD ARG A 32 -16.016 4.004 -1.224 1.00 0.00 C ATOM 501 NE ARG A 32 -17.343 3.375 -1.133 1.00 0.00 N ATOM 502 CZ ARG A 32 -18.461 3.833 -1.700 1.00 0.00 C ATOM 503 NH1 ARG A 32 -18.434 4.892 -2.497 1.00 0.00 N ATOM 504 NH2 ARG A 32 -19.601 3.205 -1.489 1.00 0.00 N ATOM 0 H ARG A 32 -12.861 0.564 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.877 1.268 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.853 2.401 -3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.911 1.410 -2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.967 2.476 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.932 3.479 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.911 4.751 -0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.925 4.529 -2.175 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.415 2.515 -0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.551 5.368 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.296 5.231 -2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.624 2.375 -0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.460 3.549 -1.919 1.00 0.00 H new ATOM 518 N ASP A 33 -13.339 -1.320 -0.968 1.00 0.00 N ATOM 519 CA ASP A 33 -13.543 -2.413 -0.007 1.00 0.00 C ATOM 520 C ASP A 33 -12.434 -3.469 -0.195 1.00 0.00 C ATOM 521 O ASP A 33 -12.568 -4.383 -1.017 1.00 0.00 O ATOM 522 CB ASP A 33 -14.959 -3.038 -0.151 1.00 0.00 C ATOM 523 CG ASP A 33 -15.194 -4.202 0.823 1.00 0.00 C ATOM 524 OD1 ASP A 33 -15.245 -3.958 2.046 1.00 0.00 O ATOM 525 OD2 ASP A 33 -15.334 -5.361 0.373 1.00 0.00 O ATOM 0 H ASP A 33 -12.584 -1.492 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.481 -2.013 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.711 -2.268 0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.093 -3.392 -1.173 1.00 0.00 H new ATOM 530 N GLY A 34 -11.309 -3.270 0.520 1.00 0.00 N ATOM 531 CA GLY A 34 -10.151 -4.166 0.440 1.00 0.00 C ATOM 532 C GLY A 34 -9.249 -3.822 -0.743 1.00 0.00 C ATOM 533 O GLY A 34 -8.347 -4.588 -1.074 1.00 0.00 O ATOM 0 H GLY A 34 -11.183 -2.488 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.578 -4.103 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.494 -5.196 0.348 1.00 0.00 H new ATOM 537 N SER A 35 -9.492 -2.635 -1.338 1.00 0.00 N ATOM 538 CA SER A 35 -8.903 -2.204 -2.614 1.00 0.00 C ATOM 539 C SER A 35 -7.505 -1.602 -2.388 1.00 0.00 C ATOM 540 O SER A 35 -7.382 -0.584 -1.704 1.00 0.00 O ATOM 541 CB SER A 35 -9.840 -1.159 -3.276 1.00 0.00 C ATOM 542 OG SER A 35 -11.192 -1.608 -3.289 1.00 0.00 O ATOM 0 H SER A 35 -10.117 -1.938 -0.932 1.00 0.00 H new ATOM 0 HA SER A 35 -8.796 -3.066 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.774 -0.215 -2.736 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.509 -0.966 -4.297 1.00 0.00 H new ATOM 0 HG SER A 35 -11.284 -2.350 -3.923 1.00 0.00 H new ATOM 548 N PHE A 36 -6.461 -2.205 -2.984 1.00 0.00 N ATOM 549 CA PHE A 36 -5.075 -1.730 -2.814 1.00 0.00 C ATOM 550 C PHE A 36 -4.431 -1.484 -4.178 1.00 0.00 C ATOM 551 O PHE A 36 -4.877 -2.019 -5.201 1.00 0.00 O ATOM 552 CB PHE A 36 -4.213 -2.744 -1.986 1.00 0.00 C ATOM 553 CG PHE A 36 -3.703 -3.989 -2.748 1.00 0.00 C ATOM 554 CD1 PHE A 36 -4.503 -5.117 -2.913 1.00 0.00 C ATOM 555 CD2 PHE A 36 -2.405 -4.028 -3.301 1.00 0.00 C ATOM 556 CE1 PHE A 36 -4.039 -6.232 -3.598 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.949 -5.145 -3.983 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.767 -6.245 -4.132 1.00 0.00 C ATOM 0 H PHE A 36 -6.550 -3.022 -3.588 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.112 -0.793 -2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.351 -2.212 -1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.805 -3.082 -1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.501 -5.125 -2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.756 -3.172 -3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.678 -7.095 -3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.952 -5.154 -4.398 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.413 -7.115 -4.665 1.00 0.00 H new ATOM 568 N LEU A 37 -3.382 -0.664 -4.171 1.00 0.00 N ATOM 569 CA LEU A 37 -2.462 -0.521 -5.302 1.00 0.00 C ATOM 570 C LEU A 37 -1.085 -0.067 -4.796 1.00 0.00 C ATOM 571 O LEU A 37 -0.939 0.386 -3.658 1.00 0.00 O ATOM 572 CB LEU A 37 -3.045 0.431 -6.412 1.00 0.00 C ATOM 573 CG LEU A 37 -3.500 1.880 -5.995 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.319 2.845 -5.731 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.472 2.479 -7.044 1.00 0.00 C ATOM 0 H LEU A 37 -3.143 -0.074 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.339 -1.492 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.290 0.532 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.903 -0.070 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.024 1.769 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.705 3.824 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.701 2.452 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.717 2.939 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.771 3.480 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.974 2.534 -8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.355 1.845 -7.126 1.00 0.00 H new ATOM 587 N VAL A 38 -0.094 -0.201 -5.665 1.00 0.00 N ATOM 588 CA VAL A 38 1.255 0.333 -5.493 1.00 0.00 C ATOM 589 C VAL A 38 1.473 1.303 -6.660 1.00 0.00 C ATOM 590 O VAL A 38 0.904 1.126 -7.741 1.00 0.00 O ATOM 591 CB VAL A 38 2.357 -0.798 -5.492 1.00 0.00 C ATOM 592 CG1 VAL A 38 3.793 -0.217 -5.344 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.067 -1.833 -4.382 1.00 0.00 C ATOM 0 H VAL A 38 -0.209 -0.704 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 38 1.347 0.827 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 38 2.313 -1.298 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.517 -1.032 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.000 0.457 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.869 0.331 -4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.836 -2.606 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.068 -1.336 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.092 -2.288 -4.555 1.00 0.00 H new ATOM 603 N ARG A 39 2.256 2.334 -6.428 1.00 0.00 N ATOM 604 CA ARG A 39 2.535 3.374 -7.415 1.00 0.00 C ATOM 605 C ARG A 39 3.901 3.984 -7.088 1.00 0.00 C ATOM 606 O ARG A 39 4.572 3.546 -6.143 1.00 0.00 O ATOM 607 CB ARG A 39 1.412 4.456 -7.359 1.00 0.00 C ATOM 608 CG ARG A 39 1.348 5.212 -6.019 1.00 0.00 C ATOM 609 CD ARG A 39 0.269 6.306 -5.986 1.00 0.00 C ATOM 610 NE ARG A 39 0.493 7.219 -4.846 1.00 0.00 N ATOM 611 CZ ARG A 39 1.211 8.354 -4.906 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.627 8.839 -6.066 1.00 0.00 N ATOM 613 NH2 ARG A 39 1.486 9.025 -3.808 1.00 0.00 N ATOM 0 H ARG A 39 2.728 2.483 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 39 2.555 2.960 -8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.571 5.174 -8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.450 3.978 -7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.157 4.499 -5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.319 5.664 -5.819 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.285 6.869 -6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.718 5.850 -5.906 1.00 0.00 H new ATOM 0 HE ARG A 39 0.073 6.971 -3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.404 8.350 -6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.171 9.702 -6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.154 8.685 -2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.031 9.886 -3.859 1.00 0.00 H new ATOM 627 N ASP A 40 4.317 4.982 -7.864 1.00 0.00 N ATOM 628 CA ASP A 40 5.436 5.847 -7.478 1.00 0.00 C ATOM 629 C ASP A 40 4.832 7.065 -6.762 1.00 0.00 C ATOM 630 O ASP A 40 3.743 7.529 -7.137 1.00 0.00 O ATOM 631 CB ASP A 40 6.287 6.285 -8.713 1.00 0.00 C ATOM 632 CG ASP A 40 5.663 7.419 -9.548 1.00 0.00 C ATOM 633 OD1 ASP A 40 4.547 7.230 -10.076 1.00 0.00 O ATOM 634 OD2 ASP A 40 6.291 8.497 -9.691 1.00 0.00 O ATOM 0 H ASP A 40 3.898 5.214 -8.764 1.00 0.00 H new ATOM 0 HA ASP A 40 6.119 5.308 -6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.270 6.604 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.442 5.419 -9.357 1.00 0.00 H new ATOM 639 N SER A 41 5.501 7.533 -5.714 1.00 0.00 N ATOM 640 CA SER A 41 5.248 8.868 -5.150 1.00 0.00 C ATOM 641 C SER A 41 5.665 9.912 -6.220 1.00 0.00 C ATOM 642 O SER A 41 6.632 9.669 -6.945 1.00 0.00 O ATOM 643 CB SER A 41 6.034 9.017 -3.827 1.00 0.00 C ATOM 644 OG SER A 41 5.654 8.020 -2.888 1.00 0.00 O ATOM 0 H SER A 41 6.229 7.008 -5.230 1.00 0.00 H new ATOM 0 HA SER A 41 4.196 9.021 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.103 8.944 -4.026 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.855 10.006 -3.404 1.00 0.00 H new ATOM 0 HG SER A 41 6.167 8.136 -2.061 1.00 0.00 H new ATOM 650 N GLU A 42 4.961 11.061 -6.296 1.00 0.00 N ATOM 651 CA GLU A 42 4.920 11.916 -7.516 1.00 0.00 C ATOM 652 C GLU A 42 6.286 12.565 -7.845 1.00 0.00 C ATOM 653 O GLU A 42 6.527 13.729 -7.495 1.00 0.00 O ATOM 654 CB GLU A 42 3.806 13.012 -7.403 1.00 0.00 C ATOM 655 CG GLU A 42 2.351 12.491 -7.267 1.00 0.00 C ATOM 656 CD GLU A 42 1.855 12.306 -5.810 1.00 0.00 C ATOM 657 OE1 GLU A 42 2.397 11.445 -5.085 1.00 0.00 O ATOM 658 OE2 GLU A 42 0.898 13.003 -5.397 1.00 0.00 O ATOM 0 H GLU A 42 4.406 11.426 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 42 4.677 11.250 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.028 13.640 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.861 13.650 -8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.683 13.185 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.273 11.535 -7.785 1.00 0.00 H new ATOM 665 N SER A 43 7.172 11.772 -8.505 1.00 0.00 N ATOM 666 CA SER A 43 8.538 12.184 -8.921 1.00 0.00 C ATOM 667 C SER A 43 9.357 12.806 -7.755 1.00 0.00 C ATOM 668 O SER A 43 10.261 13.629 -7.971 1.00 0.00 O ATOM 669 CB SER A 43 8.433 13.146 -10.132 1.00 0.00 C ATOM 670 OG SER A 43 7.719 12.545 -11.212 1.00 0.00 O ATOM 0 H SER A 43 6.952 10.811 -8.767 1.00 0.00 H new ATOM 0 HA SER A 43 9.090 11.292 -9.219 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.930 14.064 -9.827 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.433 13.425 -10.465 1.00 0.00 H new ATOM 0 HG SER A 43 7.667 13.175 -11.961 1.00 0.00 H new ATOM 676 N VAL A 44 9.071 12.335 -6.528 1.00 0.00 N ATOM 677 CA VAL A 44 9.549 12.967 -5.283 1.00 0.00 C ATOM 678 C VAL A 44 11.056 12.754 -5.043 1.00 0.00 C ATOM 679 O VAL A 44 11.766 13.707 -4.695 1.00 0.00 O ATOM 680 CB VAL A 44 8.723 12.481 -4.026 1.00 0.00 C ATOM 681 CG1 VAL A 44 7.224 12.829 -4.177 1.00 0.00 C ATOM 682 CG2 VAL A 44 8.919 10.968 -3.753 1.00 0.00 C ATOM 0 H VAL A 44 8.501 11.504 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 44 9.388 14.037 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 44 9.110 13.017 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.680 12.483 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.109 13.909 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.825 12.341 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.334 10.677 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.588 10.396 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.974 10.766 -3.566 1.00 0.00 H new ATOM 692 N ALA A 45 11.540 11.514 -5.262 1.00 0.00 N ATOM 693 CA ALA A 45 12.906 11.091 -4.876 1.00 0.00 C ATOM 694 C ALA A 45 13.223 9.665 -5.388 1.00 0.00 C ATOM 695 O ALA A 45 14.257 9.091 -5.027 1.00 0.00 O ATOM 696 CB ALA A 45 13.071 11.136 -3.336 1.00 0.00 C ATOM 0 H ALA A 45 10.997 10.777 -5.711 1.00 0.00 H new ATOM 0 HA ALA A 45 13.607 11.787 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.080 10.822 -3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.901 12.153 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.348 10.465 -2.873 1.00 0.00 H new ATOM 702 N GLY A 46 12.341 9.110 -6.241 1.00 0.00 N ATOM 703 CA GLY A 46 12.424 7.701 -6.665 1.00 0.00 C ATOM 704 C GLY A 46 11.746 6.759 -5.670 1.00 0.00 C ATOM 705 O GLY A 46 11.991 5.553 -5.671 1.00 0.00 O ATOM 0 H GLY A 46 11.559 9.620 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.958 7.590 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.471 7.418 -6.776 1.00 0.00 H new ATOM 709 N ALA A 47 10.868 7.330 -4.829 1.00 0.00 N ATOM 710 CA ALA A 47 10.139 6.599 -3.779 1.00 0.00 C ATOM 711 C ALA A 47 8.789 6.064 -4.291 1.00 0.00 C ATOM 712 O ALA A 47 8.223 6.599 -5.251 1.00 0.00 O ATOM 713 CB ALA A 47 9.933 7.540 -2.583 1.00 0.00 C ATOM 0 H ALA A 47 10.642 8.324 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 47 10.726 5.732 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.394 7.014 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.902 7.865 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.357 8.409 -2.899 1.00 0.00 H new ATOM 719 N PHE A 48 8.296 4.993 -3.639 1.00 0.00 N ATOM 720 CA PHE A 48 7.003 4.350 -3.962 1.00 0.00 C ATOM 721 C PHE A 48 5.952 4.683 -2.882 1.00 0.00 C ATOM 722 O PHE A 48 6.298 5.072 -1.766 1.00 0.00 O ATOM 723 CB PHE A 48 7.177 2.807 -4.049 1.00 0.00 C ATOM 724 CG PHE A 48 8.162 2.340 -5.125 1.00 0.00 C ATOM 725 CD1 PHE A 48 9.531 2.233 -4.853 1.00 0.00 C ATOM 726 CD2 PHE A 48 7.719 1.995 -6.405 1.00 0.00 C ATOM 727 CE1 PHE A 48 10.420 1.813 -5.826 1.00 0.00 C ATOM 728 CE2 PHE A 48 8.612 1.574 -7.377 1.00 0.00 C ATOM 729 CZ PHE A 48 9.960 1.476 -7.086 1.00 0.00 C ATOM 0 H PHE A 48 8.787 4.544 -2.866 1.00 0.00 H new ATOM 0 HA PHE A 48 6.663 4.732 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.513 2.437 -3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.205 2.354 -4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.899 2.482 -3.869 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.667 2.057 -6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.474 1.748 -5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.254 1.322 -8.364 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.653 1.137 -7.842 1.00 0.00 H new ATOM 739 N ALA A 49 4.661 4.557 -3.231 1.00 0.00 N ATOM 740 CA ALA A 49 3.556 4.623 -2.257 1.00 0.00 C ATOM 741 C ALA A 49 2.628 3.406 -2.425 1.00 0.00 C ATOM 742 O ALA A 49 2.368 2.971 -3.548 1.00 0.00 O ATOM 743 CB ALA A 49 2.778 5.940 -2.413 1.00 0.00 C ATOM 0 H ALA A 49 4.354 4.407 -4.192 1.00 0.00 H new ATOM 0 HA ALA A 49 3.972 4.598 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.966 5.971 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.450 6.782 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.366 6.002 -3.420 1.00 0.00 H new ATOM 749 N LEU A 50 2.150 2.875 -1.292 1.00 0.00 N ATOM 750 CA LEU A 50 1.206 1.750 -1.217 1.00 0.00 C ATOM 751 C LEU A 50 -0.105 2.286 -0.621 1.00 0.00 C ATOM 752 O LEU A 50 -0.166 2.587 0.570 1.00 0.00 O ATOM 753 CB LEU A 50 1.807 0.619 -0.322 1.00 0.00 C ATOM 754 CG LEU A 50 0.857 -0.578 0.037 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.390 -1.353 -1.208 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.510 -1.524 1.071 1.00 0.00 C ATOM 0 H LEU A 50 2.418 3.227 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 50 1.018 1.327 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.685 0.216 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.153 1.069 0.608 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.034 -0.144 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.264 -2.170 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.153 -0.681 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.257 -1.758 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.827 -2.342 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.436 -1.928 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.729 -0.970 1.984 1.00 0.00 H new ATOM 768 N CYS A 51 -1.142 2.424 -1.458 1.00 0.00 N ATOM 769 CA CYS A 51 -2.435 3.011 -1.059 1.00 0.00 C ATOM 770 C CYS A 51 -3.457 1.876 -0.885 1.00 0.00 C ATOM 771 O CYS A 51 -3.803 1.200 -1.856 1.00 0.00 O ATOM 772 CB CYS A 51 -2.904 4.028 -2.135 1.00 0.00 C ATOM 773 SG CYS A 51 -4.419 4.922 -1.729 1.00 0.00 S ATOM 0 H CYS A 51 -1.111 2.132 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.335 3.546 -0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.106 4.752 -2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.054 3.497 -3.075 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.712 5.741 -2.695 1.00 0.00 H new ATOM 779 N VAL A 52 -3.922 1.669 0.355 1.00 0.00 N ATOM 780 CA VAL A 52 -4.836 0.565 0.723 1.00 0.00 C ATOM 781 C VAL A 52 -6.124 1.164 1.300 1.00 0.00 C ATOM 782 O VAL A 52 -6.067 2.048 2.153 1.00 0.00 O ATOM 783 CB VAL A 52 -4.178 -0.411 1.774 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.128 -1.587 2.144 1.00 0.00 C ATOM 785 CG2 VAL A 52 -2.810 -0.928 1.264 1.00 0.00 C ATOM 0 H VAL A 52 -3.675 2.267 1.143 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.055 -0.019 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.004 0.157 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.638 -2.236 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.047 -1.190 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.365 -2.159 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.375 -1.599 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.951 -1.465 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.140 -0.084 1.101 1.00 0.00 H new ATOM 795 N LEU A 53 -7.269 0.664 0.833 1.00 0.00 N ATOM 796 CA LEU A 53 -8.604 1.184 1.153 1.00 0.00 C ATOM 797 C LEU A 53 -9.498 0.030 1.621 1.00 0.00 C ATOM 798 O LEU A 53 -9.453 -1.065 1.062 1.00 0.00 O ATOM 799 CB LEU A 53 -9.191 1.878 -0.114 1.00 0.00 C ATOM 800 CG LEU A 53 -10.731 2.205 -0.157 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.241 3.005 1.063 1.00 0.00 C ATOM 802 CD2 LEU A 53 -11.070 2.935 -1.467 1.00 0.00 C ATOM 0 H LEU A 53 -7.296 -0.138 0.203 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.548 1.918 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.651 2.814 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.964 1.245 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.252 1.248 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.310 3.189 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.060 2.434 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.713 3.957 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.136 3.159 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.502 3.864 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.812 2.300 -2.315 1.00 0.00 H new ATOM 814 N TYR A 54 -10.320 0.318 2.627 1.00 0.00 N ATOM 815 CA TYR A 54 -11.292 -0.609 3.186 1.00 0.00 C ATOM 816 C TYR A 54 -12.403 0.217 3.831 1.00 0.00 C ATOM 817 O TYR A 54 -12.135 0.948 4.779 1.00 0.00 O ATOM 818 CB TYR A 54 -10.632 -1.555 4.228 1.00 0.00 C ATOM 819 CG TYR A 54 -11.584 -2.634 4.777 1.00 0.00 C ATOM 820 CD1 TYR A 54 -12.058 -3.650 3.944 1.00 0.00 C ATOM 821 CD2 TYR A 54 -12.016 -2.628 6.106 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.922 -4.615 4.417 1.00 0.00 C ATOM 823 CE2 TYR A 54 -12.881 -3.598 6.583 1.00 0.00 C ATOM 824 CZ TYR A 54 -13.333 -4.587 5.734 1.00 0.00 C ATOM 825 OH TYR A 54 -14.205 -5.549 6.203 1.00 0.00 O ATOM 0 H TYR A 54 -10.326 1.229 3.086 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.698 -1.243 2.398 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.771 -2.042 3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.255 -0.959 5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.742 -3.680 2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.669 -1.853 6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.277 -5.393 3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -13.200 -3.581 7.615 1.00 0.00 H new ATOM 0 HH TYR A 54 -14.393 -5.386 7.151 1.00 0.00 H new ATOM 835 N GLN A 55 -13.626 0.104 3.279 1.00 0.00 N ATOM 836 CA GLN A 55 -14.854 0.755 3.793 1.00 0.00 C ATOM 837 C GLN A 55 -14.641 2.222 4.258 1.00 0.00 C ATOM 838 O GLN A 55 -14.621 2.510 5.464 1.00 0.00 O ATOM 839 CB GLN A 55 -15.474 -0.118 4.918 1.00 0.00 C ATOM 840 CG GLN A 55 -15.779 -1.565 4.480 1.00 0.00 C ATOM 841 CD GLN A 55 -16.439 -2.428 5.558 1.00 0.00 C ATOM 842 OE1 GLN A 55 -17.235 -3.308 5.247 1.00 0.00 O ATOM 843 NE2 GLN A 55 -16.085 -2.227 6.828 1.00 0.00 N ATOM 0 H GLN A 55 -13.795 -0.455 2.443 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.552 0.825 2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.791 -0.141 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.396 0.350 5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.430 -1.537 3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.849 -2.041 4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.421 -1.489 7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.478 -2.812 7.566 1.00 0.00 H new ATOM 852 N LYS A 56 -14.426 3.117 3.270 1.00 0.00 N ATOM 853 CA LYS A 56 -14.209 4.573 3.487 1.00 0.00 C ATOM 854 C LYS A 56 -12.981 4.895 4.382 1.00 0.00 C ATOM 855 O LYS A 56 -12.903 5.981 4.963 1.00 0.00 O ATOM 856 CB LYS A 56 -15.487 5.243 4.073 1.00 0.00 C ATOM 857 CG LYS A 56 -16.715 5.238 3.141 1.00 0.00 C ATOM 858 CD LYS A 56 -17.941 5.914 3.802 1.00 0.00 C ATOM 859 CE LYS A 56 -19.158 6.006 2.868 1.00 0.00 C ATOM 860 NZ LYS A 56 -20.354 6.551 3.562 1.00 0.00 N ATOM 0 H LYS A 56 -14.397 2.851 2.286 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.994 4.989 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.752 4.735 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.251 6.275 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.470 5.756 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.965 4.211 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.218 5.355 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.664 6.917 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.913 6.640 2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -19.388 5.016 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -21.151 6.596 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -20.604 5.933 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.145 7.506 3.916 1.00 0.00 H new ATOM 874 N HIS A 57 -12.014 3.967 4.453 1.00 0.00 N ATOM 875 CA HIS A 57 -10.780 4.156 5.246 1.00 0.00 C ATOM 876 C HIS A 57 -9.557 3.788 4.392 1.00 0.00 C ATOM 877 O HIS A 57 -9.291 2.610 4.145 1.00 0.00 O ATOM 878 CB HIS A 57 -10.838 3.301 6.542 1.00 0.00 C ATOM 879 CG HIS A 57 -9.637 3.447 7.444 1.00 0.00 C ATOM 880 ND1 HIS A 57 -8.652 2.485 7.550 1.00 0.00 N ATOM 881 CD2 HIS A 57 -9.270 4.446 8.280 1.00 0.00 C ATOM 882 CE1 HIS A 57 -7.733 2.890 8.404 1.00 0.00 C ATOM 883 NE2 HIS A 57 -8.081 4.074 8.863 1.00 0.00 N ATOM 0 H HIS A 57 -12.060 3.071 3.968 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.694 5.202 5.540 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.732 3.574 7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.943 2.252 6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.810 5.364 8.457 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.844 2.343 8.681 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.555 4.626 9.541 1.00 0.00 H new ATOM 892 N VAL A 58 -8.825 4.823 3.946 1.00 0.00 N ATOM 893 CA VAL A 58 -7.607 4.675 3.133 1.00 0.00 C ATOM 894 C VAL A 58 -6.388 4.925 4.013 1.00 0.00 C ATOM 895 O VAL A 58 -6.151 6.065 4.431 1.00 0.00 O ATOM 896 CB VAL A 58 -7.565 5.686 1.920 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.333 5.431 1.006 1.00 0.00 C ATOM 898 CG2 VAL A 58 -8.871 5.642 1.116 1.00 0.00 C ATOM 0 H VAL A 58 -9.065 5.795 4.142 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.606 3.663 2.728 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.462 6.689 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.337 6.145 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.418 5.552 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.379 4.417 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.812 6.348 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.024 4.636 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.706 5.910 1.763 1.00 0.00 H new ATOM 908 N HIS A 59 -5.635 3.868 4.315 1.00 0.00 N ATOM 909 CA HIS A 59 -4.343 3.987 4.988 1.00 0.00 C ATOM 910 C HIS A 59 -3.262 3.796 3.915 1.00 0.00 C ATOM 911 O HIS A 59 -3.240 2.773 3.223 1.00 0.00 O ATOM 912 CB HIS A 59 -4.214 2.941 6.138 1.00 0.00 C ATOM 913 CG HIS A 59 -3.153 3.282 7.160 1.00 0.00 C ATOM 914 ND1 HIS A 59 -2.485 2.338 7.912 1.00 0.00 N ATOM 915 CD2 HIS A 59 -2.685 4.485 7.583 1.00 0.00 C ATOM 916 CE1 HIS A 59 -1.663 2.946 8.749 1.00 0.00 C ATOM 917 NE2 HIS A 59 -1.765 4.247 8.569 1.00 0.00 N ATOM 0 H HIS A 59 -5.903 2.907 4.100 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.235 4.964 5.459 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.176 2.851 6.643 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.988 1.966 5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.984 5.453 7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.015 2.458 9.462 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.244 4.960 9.080 1.00 0.00 H new ATOM 926 N THR A 60 -2.378 4.790 3.784 1.00 0.00 N ATOM 927 CA THR A 60 -1.381 4.867 2.709 1.00 0.00 C ATOM 928 C THR A 60 0.023 4.885 3.339 1.00 0.00 C ATOM 929 O THR A 60 0.230 5.499 4.392 1.00 0.00 O ATOM 930 CB THR A 60 -1.612 6.136 1.817 1.00 0.00 C ATOM 931 OG1 THR A 60 -2.970 6.144 1.345 1.00 0.00 O ATOM 932 CG2 THR A 60 -0.652 6.199 0.604 1.00 0.00 C ATOM 0 H THR A 60 -2.333 5.577 4.432 1.00 0.00 H new ATOM 0 HA THR A 60 -1.478 3.997 2.060 1.00 0.00 H new ATOM 0 HB THR A 60 -1.409 7.009 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.011 5.728 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.858 7.098 0.023 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.379 6.223 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.800 5.320 -0.023 1.00 0.00 H new ATOM 940 N TYR A 61 0.967 4.199 2.684 1.00 0.00 N ATOM 941 CA TYR A 61 2.311 3.958 3.205 1.00 0.00 C ATOM 942 C TYR A 61 3.310 4.483 2.169 1.00 0.00 C ATOM 943 O TYR A 61 3.542 3.826 1.147 1.00 0.00 O ATOM 944 CB TYR A 61 2.506 2.427 3.445 1.00 0.00 C ATOM 945 CG TYR A 61 1.336 1.750 4.191 1.00 0.00 C ATOM 946 CD1 TYR A 61 1.218 1.842 5.572 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.341 1.042 3.502 1.00 0.00 C ATOM 948 CE1 TYR A 61 0.164 1.252 6.242 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.715 0.457 4.171 1.00 0.00 C ATOM 950 CZ TYR A 61 -0.799 0.559 5.540 1.00 0.00 C ATOM 951 OH TYR A 61 -1.852 -0.030 6.215 1.00 0.00 O ATOM 0 H TYR A 61 0.812 3.790 1.762 1.00 0.00 H new ATOM 0 HA TYR A 61 2.465 4.469 4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.642 1.934 2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.423 2.274 4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.965 2.385 6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.402 0.953 2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.094 1.334 7.317 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.474 -0.080 3.621 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.226 0.608 6.858 1.00 0.00 H new ATOM 961 N ARG A 62 3.861 5.687 2.404 1.00 0.00 N ATOM 962 CA ARG A 62 4.838 6.286 1.485 1.00 0.00 C ATOM 963 C ARG A 62 6.211 5.690 1.788 1.00 0.00 C ATOM 964 O ARG A 62 6.866 6.048 2.775 1.00 0.00 O ATOM 965 CB ARG A 62 4.873 7.822 1.618 1.00 0.00 C ATOM 966 CG ARG A 62 3.540 8.532 1.322 1.00 0.00 C ATOM 967 CD ARG A 62 3.668 10.066 1.409 1.00 0.00 C ATOM 968 NE ARG A 62 4.506 10.623 0.327 1.00 0.00 N ATOM 969 CZ ARG A 62 5.750 11.119 0.467 1.00 0.00 C ATOM 970 NH1 ARG A 62 6.377 11.078 1.640 1.00 0.00 N ATOM 971 NH2 ARG A 62 6.373 11.624 -0.582 1.00 0.00 N ATOM 0 H ARG A 62 3.646 6.260 3.220 1.00 0.00 H new ATOM 0 HA ARG A 62 4.548 6.063 0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.186 8.077 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.633 8.213 0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.195 8.253 0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.783 8.191 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.675 10.514 1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.097 10.338 2.374 1.00 0.00 H new ATOM 0 HE ARG A 62 4.106 10.633 -0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.915 10.666 2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.319 11.458 1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.912 11.637 -1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.315 12.001 -0.483 1.00 0.00 H new ATOM 985 N ILE A 63 6.575 4.705 0.982 1.00 0.00 N ATOM 986 CA ILE A 63 7.868 4.022 1.056 1.00 0.00 C ATOM 987 C ILE A 63 8.980 4.914 0.470 1.00 0.00 C ATOM 988 O ILE A 63 9.034 5.139 -0.743 1.00 0.00 O ATOM 989 CB ILE A 63 7.789 2.662 0.264 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.450 1.892 0.571 1.00 0.00 C ATOM 991 CG2 ILE A 63 9.014 1.773 0.569 1.00 0.00 C ATOM 992 CD1 ILE A 63 6.005 0.954 -0.537 1.00 0.00 C ATOM 0 H ILE A 63 5.972 4.347 0.242 1.00 0.00 H new ATOM 0 HA ILE A 63 8.105 3.818 2.100 1.00 0.00 H new ATOM 0 HB ILE A 63 7.797 2.902 -0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.576 1.318 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.660 2.619 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.935 0.841 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.925 2.296 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.048 1.554 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.076 0.463 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.844 1.523 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.775 0.202 -0.708 1.00 0.00 H new ATOM 1004 N LEU A 64 9.859 5.395 1.354 1.00 0.00 N ATOM 1005 CA LEU A 64 10.983 6.285 1.024 1.00 0.00 C ATOM 1006 C LEU A 64 12.285 5.492 1.247 1.00 0.00 C ATOM 1007 O LEU A 64 12.658 5.256 2.407 1.00 0.00 O ATOM 1008 CB LEU A 64 10.966 7.592 1.901 1.00 0.00 C ATOM 1009 CG LEU A 64 10.096 8.795 1.389 1.00 0.00 C ATOM 1010 CD1 LEU A 64 8.597 8.439 1.248 1.00 0.00 C ATOM 1011 CD2 LEU A 64 10.296 10.043 2.293 1.00 0.00 C ATOM 0 H LEU A 64 9.809 5.171 2.348 1.00 0.00 H new ATOM 0 HA LEU A 64 10.904 6.609 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.616 7.324 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.993 7.940 2.006 1.00 0.00 H new ATOM 0 HG LEU A 64 10.448 9.032 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.048 9.310 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.483 7.621 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.203 8.134 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.684 10.864 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.999 9.804 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.345 10.337 2.280 1.00 0.00 H new ATOM 1023 N PRO A 65 12.958 4.999 0.154 1.00 0.00 N ATOM 1024 CA PRO A 65 14.315 4.418 0.258 1.00 0.00 C ATOM 1025 C PRO A 65 15.300 5.440 0.848 1.00 0.00 C ATOM 1026 O PRO A 65 15.912 5.185 1.896 1.00 0.00 O ATOM 1027 CB PRO A 65 14.665 4.020 -1.204 1.00 0.00 C ATOM 1028 CG PRO A 65 13.335 3.892 -1.889 1.00 0.00 C ATOM 1029 CD PRO A 65 12.443 4.926 -1.240 1.00 0.00 C ATOM 0 HA PRO A 65 14.370 3.560 0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.287 4.776 -1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.220 3.083 -1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.427 4.070 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.926 2.889 -1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.512 5.890 -1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.395 4.626 -1.266 1.00 0.00 H new ATOM 1037 N ASP A 66 15.407 6.606 0.155 1.00 0.00 N ATOM 1038 CA ASP A 66 16.188 7.783 0.610 1.00 0.00 C ATOM 1039 C ASP A 66 17.657 7.368 0.876 1.00 0.00 C ATOM 1040 O ASP A 66 18.348 7.882 1.764 1.00 0.00 O ATOM 1041 CB ASP A 66 15.489 8.441 1.848 1.00 0.00 C ATOM 1042 CG ASP A 66 16.028 9.846 2.191 1.00 0.00 C ATOM 1043 OD1 ASP A 66 16.040 10.720 1.295 1.00 0.00 O ATOM 1044 OD2 ASP A 66 16.438 10.087 3.344 1.00 0.00 O ATOM 0 H ASP A 66 14.948 6.754 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 66 16.217 8.545 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.418 8.509 1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.616 7.791 2.714 1.00 0.00 H new ATOM 1049 N GLY A 67 18.114 6.447 0.019 1.00 0.00 N ATOM 1050 CA GLY A 67 19.330 5.661 0.203 1.00 0.00 C ATOM 1051 C GLY A 67 19.192 4.343 -0.568 1.00 0.00 C ATOM 1052 O GLY A 67 18.131 4.088 -1.167 1.00 0.00 O ATOM 0 H GLY A 67 17.628 6.224 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.196 6.218 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.494 5.463 1.262 1.00 0.00 H new ATOM 1056 N GLU A 68 20.225 3.485 -0.564 1.00 0.00 N ATOM 1057 CA GLU A 68 20.226 2.229 -1.348 1.00 0.00 C ATOM 1058 C GLU A 68 20.101 1.002 -0.426 1.00 0.00 C ATOM 1059 O GLU A 68 19.839 -0.112 -0.902 1.00 0.00 O ATOM 1060 CB GLU A 68 21.524 2.146 -2.189 1.00 0.00 C ATOM 1061 CG GLU A 68 22.823 2.208 -1.358 1.00 0.00 C ATOM 1062 CD GLU A 68 24.087 2.095 -2.222 1.00 0.00 C ATOM 1063 OE1 GLU A 68 24.385 3.042 -2.974 1.00 0.00 O ATOM 1064 OE2 GLU A 68 24.782 1.058 -2.164 1.00 0.00 O ATOM 0 H GLU A 68 21.077 3.636 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 68 19.364 2.231 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.515 1.217 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 68 21.529 2.963 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 68 22.850 3.146 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 68 22.818 1.403 -0.623 1.00 0.00 H new ATOM 1071 N ASP A 69 20.294 1.225 0.891 1.00 0.00 N ATOM 1072 CA ASP A 69 20.328 0.154 1.898 1.00 0.00 C ATOM 1073 C ASP A 69 18.949 -0.537 2.016 1.00 0.00 C ATOM 1074 O ASP A 69 18.723 -1.567 1.377 1.00 0.00 O ATOM 1075 CB ASP A 69 20.842 0.726 3.253 1.00 0.00 C ATOM 1076 CG ASP A 69 20.847 -0.292 4.405 1.00 0.00 C ATOM 1077 OD1 ASP A 69 21.646 -1.257 4.361 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.065 -0.123 5.364 1.00 0.00 O ATOM 0 H ASP A 69 20.431 2.157 1.283 1.00 0.00 H new ATOM 0 HA ASP A 69 21.027 -0.622 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.854 1.105 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.220 1.575 3.536 1.00 0.00 H new ATOM 1083 N PHE A 70 18.032 0.019 2.826 1.00 0.00 N ATOM 1084 CA PHE A 70 16.651 -0.493 2.941 1.00 0.00 C ATOM 1085 C PHE A 70 15.611 0.635 2.812 1.00 0.00 C ATOM 1086 O PHE A 70 15.902 1.814 3.036 1.00 0.00 O ATOM 1087 CB PHE A 70 16.457 -1.280 4.275 1.00 0.00 C ATOM 1088 CG PHE A 70 17.176 -2.644 4.312 1.00 0.00 C ATOM 1089 CD1 PHE A 70 16.656 -3.737 3.620 1.00 0.00 C ATOM 1090 CD2 PHE A 70 18.362 -2.832 5.020 1.00 0.00 C ATOM 1091 CE1 PHE A 70 17.293 -4.963 3.634 1.00 0.00 C ATOM 1092 CE2 PHE A 70 19.000 -4.063 5.034 1.00 0.00 C ATOM 1093 CZ PHE A 70 18.463 -5.125 4.340 1.00 0.00 C ATOM 0 H PHE A 70 18.222 0.829 3.416 1.00 0.00 H new ATOM 0 HA PHE A 70 16.489 -1.181 2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 70 16.819 -0.668 5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 70 15.391 -1.439 4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.738 -3.623 3.063 1.00 0.00 H new ATOM 0 HD2 PHE A 70 18.791 -2.005 5.567 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.872 -5.796 3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 70 19.918 -4.189 5.589 1.00 0.00 H new ATOM 0 HZ PHE A 70 18.960 -6.084 4.350 1.00 0.00 H new ATOM 1103 N LEU A 71 14.409 0.225 2.400 1.00 0.00 N ATOM 1104 CA LEU A 71 13.180 1.023 2.396 1.00 0.00 C ATOM 1105 C LEU A 71 12.147 0.294 3.286 1.00 0.00 C ATOM 1106 O LEU A 71 11.658 -0.790 2.942 1.00 0.00 O ATOM 1107 CB LEU A 71 12.643 1.229 0.935 1.00 0.00 C ATOM 1108 CG LEU A 71 12.778 0.024 -0.080 1.00 0.00 C ATOM 1109 CD1 LEU A 71 11.680 0.071 -1.166 1.00 0.00 C ATOM 1110 CD2 LEU A 71 14.186 -0.016 -0.740 1.00 0.00 C ATOM 0 H LEU A 71 14.259 -0.718 2.043 1.00 0.00 H new ATOM 0 HA LEU A 71 13.373 2.020 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.588 1.494 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.161 2.087 0.506 1.00 0.00 H new ATOM 0 HG LEU A 71 12.648 -0.890 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.804 -0.772 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.699 0.015 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.761 1.003 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.240 -0.857 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.359 0.912 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.947 -0.131 0.032 1.00 0.00 H new ATOM 1122 N ALA A 72 11.830 0.893 4.443 1.00 0.00 N ATOM 1123 CA ALA A 72 10.942 0.283 5.450 1.00 0.00 C ATOM 1124 C ALA A 72 9.509 0.813 5.298 1.00 0.00 C ATOM 1125 O ALA A 72 9.293 2.024 5.184 1.00 0.00 O ATOM 1126 CB ALA A 72 11.484 0.561 6.862 1.00 0.00 C ATOM 0 H ALA A 72 12.180 1.813 4.709 1.00 0.00 H new ATOM 0 HA ALA A 72 10.918 -0.795 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.823 0.108 7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.483 0.135 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.530 1.637 7.029 1.00 0.00 H new ATOM 1132 N VAL A 73 8.538 -0.113 5.290 1.00 0.00 N ATOM 1133 CA VAL A 73 7.109 0.205 5.099 1.00 0.00 C ATOM 1134 C VAL A 73 6.420 0.233 6.470 1.00 0.00 C ATOM 1135 O VAL A 73 6.303 -0.805 7.124 1.00 0.00 O ATOM 1136 CB VAL A 73 6.413 -0.838 4.154 1.00 0.00 C ATOM 1137 CG1 VAL A 73 4.937 -0.442 3.845 1.00 0.00 C ATOM 1138 CG2 VAL A 73 7.244 -1.030 2.860 1.00 0.00 C ATOM 0 H VAL A 73 8.720 -1.109 5.416 1.00 0.00 H new ATOM 0 HA VAL A 73 7.023 1.181 4.622 1.00 0.00 H new ATOM 0 HB VAL A 73 6.373 -1.795 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.490 -1.188 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.371 -0.392 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.916 0.531 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.750 -1.756 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.328 -0.077 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.239 -1.392 3.117 1.00 0.00 H new ATOM 1148 N GLN A 74 5.972 1.419 6.894 1.00 0.00 N ATOM 1149 CA GLN A 74 5.486 1.652 8.264 1.00 0.00 C ATOM 1150 C GLN A 74 3.971 1.393 8.334 1.00 0.00 C ATOM 1151 O GLN A 74 3.173 2.272 8.009 1.00 0.00 O ATOM 1152 CB GLN A 74 5.832 3.103 8.703 1.00 0.00 C ATOM 1153 CG GLN A 74 7.300 3.508 8.437 1.00 0.00 C ATOM 1154 CD GLN A 74 8.350 2.619 9.125 1.00 0.00 C ATOM 1155 OE1 GLN A 74 9.429 2.405 8.582 1.00 0.00 O ATOM 1156 NE2 GLN A 74 8.076 2.148 10.342 1.00 0.00 N ATOM 0 H GLN A 74 5.935 2.247 6.299 1.00 0.00 H new ATOM 0 HA GLN A 74 5.978 0.962 8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.174 3.797 8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.624 3.209 9.768 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.478 3.490 7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.444 4.537 8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.171 2.340 10.771 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.771 1.596 10.844 1.00 0.00 H new ATOM 1165 N THR A 75 3.605 0.162 8.725 1.00 0.00 N ATOM 1166 CA THR A 75 2.194 -0.279 8.833 1.00 0.00 C ATOM 1167 C THR A 75 1.425 0.475 9.935 1.00 0.00 C ATOM 1168 O THR A 75 0.203 0.634 9.859 1.00 0.00 O ATOM 1169 CB THR A 75 2.124 -1.808 9.120 1.00 0.00 C ATOM 1170 OG1 THR A 75 2.855 -2.116 10.319 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.685 -2.635 7.964 1.00 0.00 C ATOM 0 H THR A 75 4.277 -0.562 8.977 1.00 0.00 H new ATOM 0 HA THR A 75 1.722 -0.053 7.877 1.00 0.00 H new ATOM 0 HB THR A 75 1.072 -2.067 9.242 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.476 -2.918 10.736 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.616 -3.695 8.208 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.111 -2.433 7.060 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.729 -2.368 7.799 1.00 0.00 H new ATOM 1179 N SER A 76 2.167 0.923 10.954 1.00 0.00 N ATOM 1180 CA SER A 76 1.617 1.583 12.139 1.00 0.00 C ATOM 1181 C SER A 76 2.557 2.727 12.585 1.00 0.00 C ATOM 1182 O SER A 76 3.487 3.094 11.848 1.00 0.00 O ATOM 1183 CB SER A 76 1.411 0.505 13.240 1.00 0.00 C ATOM 1184 OG SER A 76 0.739 1.011 14.379 1.00 0.00 O ATOM 0 H SER A 76 3.183 0.835 10.977 1.00 0.00 H new ATOM 0 HA SER A 76 0.651 2.042 11.927 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.841 -0.327 12.826 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.381 0.109 13.541 1.00 0.00 H new ATOM 0 HG SER A 76 0.632 0.296 15.040 1.00 0.00 H new ATOM 1190 N GLN A 77 2.286 3.287 13.784 1.00 0.00 N ATOM 1191 CA GLN A 77 2.974 4.479 14.326 1.00 0.00 C ATOM 1192 C GLN A 77 4.503 4.310 14.356 1.00 0.00 C ATOM 1193 O GLN A 77 5.240 5.133 13.793 1.00 0.00 O ATOM 1194 CB GLN A 77 2.420 4.791 15.745 1.00 0.00 C ATOM 1195 CG GLN A 77 3.055 5.999 16.464 1.00 0.00 C ATOM 1196 CD GLN A 77 2.463 6.248 17.856 1.00 0.00 C ATOM 1197 OE1 GLN A 77 2.932 5.697 18.852 1.00 0.00 O ATOM 1198 NE2 GLN A 77 1.427 7.069 17.930 1.00 0.00 N ATOM 0 H GLN A 77 1.572 2.918 14.412 1.00 0.00 H new ATOM 0 HA GLN A 77 2.772 5.319 13.662 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.347 4.963 15.665 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.556 3.908 16.370 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.129 5.836 16.556 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.919 6.891 15.853 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.063 7.509 17.085 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.992 7.262 18.832 1.00 0.00 H new ATOM 1207 N GLY A 78 4.959 3.241 15.011 1.00 0.00 N ATOM 1208 CA GLY A 78 6.378 2.907 15.065 1.00 0.00 C ATOM 1209 C GLY A 78 6.612 1.553 15.680 1.00 0.00 C ATOM 1210 O GLY A 78 7.513 1.378 16.508 1.00 0.00 O ATOM 0 H GLY A 78 4.358 2.589 15.515 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.794 2.925 14.058 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.908 3.665 15.642 1.00 0.00 H new ATOM 1214 N VAL A 79 5.791 0.579 15.264 1.00 0.00 N ATOM 1215 CA VAL A 79 5.899 -0.827 15.719 1.00 0.00 C ATOM 1216 C VAL A 79 7.181 -1.508 15.157 1.00 0.00 C ATOM 1217 O VAL A 79 7.811 -0.961 14.241 1.00 0.00 O ATOM 1218 CB VAL A 79 4.620 -1.635 15.269 1.00 0.00 C ATOM 1219 CG1 VAL A 79 3.337 -1.081 15.946 1.00 0.00 C ATOM 1220 CG2 VAL A 79 4.492 -1.658 13.720 1.00 0.00 C ATOM 0 H VAL A 79 5.031 0.737 14.602 1.00 0.00 H new ATOM 0 HA VAL A 79 5.967 -0.826 16.807 1.00 0.00 H new ATOM 0 HB VAL A 79 4.739 -2.666 15.602 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.473 -1.658 15.616 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.434 -1.160 17.029 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.202 -0.035 15.669 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.603 -2.221 13.437 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.410 -0.637 13.347 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.374 -2.132 13.289 1.00 0.00 H new ATOM 1230 N PRO A 80 7.603 -2.712 15.691 1.00 0.00 N ATOM 1231 CA PRO A 80 8.643 -3.568 15.042 1.00 0.00 C ATOM 1232 C PRO A 80 8.134 -4.240 13.726 1.00 0.00 C ATOM 1233 O PRO A 80 8.159 -5.469 13.575 1.00 0.00 O ATOM 1234 CB PRO A 80 8.986 -4.613 16.143 1.00 0.00 C ATOM 1235 CG PRO A 80 7.743 -4.701 16.974 1.00 0.00 C ATOM 1236 CD PRO A 80 7.173 -3.296 16.998 1.00 0.00 C ATOM 0 HA PRO A 80 9.511 -2.995 14.717 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.242 -5.579 15.708 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.841 -4.295 16.740 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.032 -5.406 16.543 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.968 -5.051 17.982 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.087 -3.307 17.093 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.561 -2.722 17.839 1.00 0.00 H new ATOM 1244 N VAL A 81 7.609 -3.402 12.811 1.00 0.00 N ATOM 1245 CA VAL A 81 7.400 -3.715 11.389 1.00 0.00 C ATOM 1246 C VAL A 81 8.721 -4.171 10.690 1.00 0.00 C ATOM 1247 O VAL A 81 9.797 -4.163 11.300 1.00 0.00 O ATOM 1248 CB VAL A 81 6.766 -2.447 10.687 1.00 0.00 C ATOM 1249 CG1 VAL A 81 7.813 -1.338 10.392 1.00 0.00 C ATOM 1250 CG2 VAL A 81 5.949 -2.825 9.441 1.00 0.00 C ATOM 0 H VAL A 81 7.310 -2.457 13.052 1.00 0.00 H new ATOM 0 HA VAL A 81 6.715 -4.558 11.301 1.00 0.00 H new ATOM 0 HB VAL A 81 6.066 -2.017 11.404 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.322 -0.493 9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.268 -1.009 11.326 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.585 -1.733 9.732 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.533 -1.923 8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.596 -3.325 8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.139 -3.495 9.727 1.00 0.00 H new ATOM 1260 N ARG A 82 8.642 -4.555 9.405 1.00 0.00 N ATOM 1261 CA ARG A 82 9.743 -5.218 8.698 1.00 0.00 C ATOM 1262 C ARG A 82 10.339 -4.239 7.669 1.00 0.00 C ATOM 1263 O ARG A 82 9.607 -3.465 7.032 1.00 0.00 O ATOM 1264 CB ARG A 82 9.223 -6.508 8.010 1.00 0.00 C ATOM 1265 CG ARG A 82 8.578 -7.539 8.972 1.00 0.00 C ATOM 1266 CD ARG A 82 9.555 -8.088 10.029 1.00 0.00 C ATOM 1267 NE ARG A 82 10.728 -8.737 9.410 1.00 0.00 N ATOM 1268 CZ ARG A 82 10.902 -10.063 9.230 1.00 0.00 C ATOM 1269 NH1 ARG A 82 9.983 -10.945 9.622 1.00 0.00 N ATOM 1270 NH2 ARG A 82 12.008 -10.488 8.642 1.00 0.00 N ATOM 0 H ARG A 82 7.812 -4.413 8.830 1.00 0.00 H new ATOM 0 HA ARG A 82 10.524 -5.505 9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.490 -6.230 7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.053 -6.986 7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.732 -7.073 9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.182 -8.370 8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.888 -7.274 10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.036 -8.806 10.665 1.00 0.00 H new ATOM 0 HE ARG A 82 11.478 -8.125 9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.125 -10.623 10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.138 -11.942 9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.712 -9.817 8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.157 -11.487 8.497 1.00 0.00 H new ATOM 1284 N ARG A 83 11.673 -4.257 7.544 1.00 0.00 N ATOM 1285 CA ARG A 83 12.410 -3.401 6.610 1.00 0.00 C ATOM 1286 C ARG A 83 12.658 -4.193 5.317 1.00 0.00 C ATOM 1287 O ARG A 83 13.205 -5.296 5.362 1.00 0.00 O ATOM 1288 CB ARG A 83 13.757 -2.955 7.241 1.00 0.00 C ATOM 1289 CG ARG A 83 13.615 -2.303 8.641 1.00 0.00 C ATOM 1290 CD ARG A 83 14.972 -1.944 9.270 1.00 0.00 C ATOM 1291 NE ARG A 83 14.835 -1.441 10.651 1.00 0.00 N ATOM 1292 CZ ARG A 83 15.612 -0.503 11.211 1.00 0.00 C ATOM 1293 NH1 ARG A 83 16.547 0.124 10.507 1.00 0.00 N ATOM 1294 NH2 ARG A 83 15.447 -0.197 12.480 1.00 0.00 N ATOM 0 H ARG A 83 12.274 -4.872 8.093 1.00 0.00 H new ATOM 0 HA ARG A 83 11.830 -2.505 6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.413 -3.822 7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.244 -2.247 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.008 -1.401 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.082 -2.986 9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.615 -2.824 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.465 -1.189 8.658 1.00 0.00 H new ATOM 0 HE ARG A 83 14.091 -1.838 11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.684 -0.105 9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.128 0.835 10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 83 14.732 -0.672 13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 83 16.034 0.516 12.913 1.00 0.00 H new ATOM 1308 N PHE A 84 12.262 -3.617 4.186 1.00 0.00 N ATOM 1309 CA PHE A 84 12.346 -4.290 2.873 1.00 0.00 C ATOM 1310 C PHE A 84 13.379 -3.597 2.003 1.00 0.00 C ATOM 1311 O PHE A 84 13.856 -2.522 2.331 1.00 0.00 O ATOM 1312 CB PHE A 84 10.966 -4.293 2.173 1.00 0.00 C ATOM 1313 CG PHE A 84 9.880 -4.983 2.984 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.856 -6.372 3.106 1.00 0.00 C ATOM 1315 CD2 PHE A 84 8.909 -4.250 3.649 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.885 -6.999 3.858 1.00 0.00 C ATOM 1317 CE2 PHE A 84 7.945 -4.876 4.401 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.929 -6.250 4.508 1.00 0.00 C ATOM 0 H PHE A 84 11.874 -2.675 4.143 1.00 0.00 H new ATOM 0 HA PHE A 84 12.651 -5.325 3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.664 -3.264 1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 84 11.058 -4.789 1.207 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.608 -6.964 2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.911 -3.173 3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.874 -8.076 3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.196 -4.289 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.169 -6.738 5.100 1.00 0.00 H new ATOM 1328 N GLN A 85 13.761 -4.257 0.925 1.00 0.00 N ATOM 1329 CA GLN A 85 14.582 -3.667 -0.150 1.00 0.00 C ATOM 1330 C GLN A 85 13.940 -4.003 -1.516 1.00 0.00 C ATOM 1331 O GLN A 85 14.363 -3.498 -2.563 1.00 0.00 O ATOM 1332 CB GLN A 85 16.041 -4.194 -0.043 1.00 0.00 C ATOM 1333 CG GLN A 85 17.090 -3.451 -0.900 1.00 0.00 C ATOM 1334 CD GLN A 85 18.505 -4.024 -0.768 1.00 0.00 C ATOM 1335 OE1 GLN A 85 18.689 -5.221 -0.548 1.00 0.00 O ATOM 1336 NE2 GLN A 85 19.518 -3.174 -0.878 1.00 0.00 N ATOM 0 H GLN A 85 13.513 -5.232 0.757 1.00 0.00 H new ATOM 0 HA GLN A 85 14.620 -2.582 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.350 -4.142 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.048 -5.247 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.787 -3.491 -1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.104 -2.400 -0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.338 -2.187 -1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.477 -3.508 -0.780 1.00 0.00 H new ATOM 1345 N THR A 86 12.867 -4.820 -1.481 1.00 0.00 N ATOM 1346 CA THR A 86 12.209 -5.376 -2.671 1.00 0.00 C ATOM 1347 C THR A 86 10.682 -5.399 -2.456 1.00 0.00 C ATOM 1348 O THR A 86 10.206 -5.785 -1.375 1.00 0.00 O ATOM 1349 CB THR A 86 12.745 -6.824 -2.960 1.00 0.00 C ATOM 1350 OG1 THR A 86 14.166 -6.782 -3.162 1.00 0.00 O ATOM 1351 CG2 THR A 86 12.088 -7.477 -4.191 1.00 0.00 C ATOM 0 H THR A 86 12.430 -5.114 -0.608 1.00 0.00 H new ATOM 0 HA THR A 86 12.435 -4.748 -3.532 1.00 0.00 H new ATOM 0 HB THR A 86 12.490 -7.430 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.498 -7.687 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.501 -8.475 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.012 -7.549 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.286 -6.870 -5.074 1.00 0.00 H new ATOM 1359 N LEU A 87 9.937 -4.981 -3.500 1.00 0.00 N ATOM 1360 CA LEU A 87 8.463 -4.925 -3.489 1.00 0.00 C ATOM 1361 C LEU A 87 7.852 -6.343 -3.402 1.00 0.00 C ATOM 1362 O LEU A 87 6.757 -6.508 -2.882 1.00 0.00 O ATOM 1363 CB LEU A 87 7.946 -4.182 -4.756 1.00 0.00 C ATOM 1364 CG LEU A 87 8.443 -2.706 -4.935 1.00 0.00 C ATOM 1365 CD1 LEU A 87 8.018 -2.130 -6.306 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.957 -1.799 -3.772 1.00 0.00 C ATOM 0 H LEU A 87 10.346 -4.671 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 87 8.148 -4.372 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.243 -4.754 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.856 -4.177 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 87 9.532 -2.724 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.378 -1.105 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.445 -2.738 -7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.931 -2.140 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.319 -0.783 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.867 -1.796 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.343 -2.181 -2.827 1.00 0.00 H new ATOM 1378 N GLY A 88 8.578 -7.352 -3.921 1.00 0.00 N ATOM 1379 CA GLY A 88 8.168 -8.764 -3.810 1.00 0.00 C ATOM 1380 C GLY A 88 7.977 -9.256 -2.373 1.00 0.00 C ATOM 1381 O GLY A 88 6.966 -9.896 -2.056 1.00 0.00 O ATOM 0 H GLY A 88 9.455 -7.214 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.235 -8.903 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.918 -9.387 -4.298 1.00 0.00 H new ATOM 1385 N GLU A 89 8.957 -8.936 -1.511 1.00 0.00 N ATOM 1386 CA GLU A 89 8.923 -9.277 -0.068 1.00 0.00 C ATOM 1387 C GLU A 89 7.782 -8.525 0.652 1.00 0.00 C ATOM 1388 O GLU A 89 7.152 -9.059 1.578 1.00 0.00 O ATOM 1389 CB GLU A 89 10.283 -8.919 0.585 1.00 0.00 C ATOM 1390 CG GLU A 89 11.506 -9.633 -0.027 1.00 0.00 C ATOM 1391 CD GLU A 89 11.505 -11.158 0.184 1.00 0.00 C ATOM 1392 OE1 GLU A 89 12.044 -11.629 1.211 1.00 0.00 O ATOM 1393 OE2 GLU A 89 10.971 -11.897 -0.677 1.00 0.00 O ATOM 0 H GLU A 89 9.799 -8.433 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 89 8.741 -10.347 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.434 -7.842 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.234 -9.160 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.540 -9.424 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.414 -9.216 0.408 1.00 0.00 H new ATOM 1400 N LEU A 90 7.556 -7.279 0.205 1.00 0.00 N ATOM 1401 CA LEU A 90 6.500 -6.382 0.705 1.00 0.00 C ATOM 1402 C LEU A 90 5.110 -7.018 0.495 1.00 0.00 C ATOM 1403 O LEU A 90 4.404 -7.304 1.461 1.00 0.00 O ATOM 1404 CB LEU A 90 6.646 -5.015 -0.043 1.00 0.00 C ATOM 1405 CG LEU A 90 5.764 -3.785 0.385 1.00 0.00 C ATOM 1406 CD1 LEU A 90 6.319 -2.502 -0.256 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.265 -3.925 0.013 1.00 0.00 C ATOM 0 H LEU A 90 8.118 -6.856 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 90 6.602 -6.216 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.689 -4.710 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.451 -5.201 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 90 5.817 -3.741 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.706 -1.652 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.345 -2.344 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.300 -2.600 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.724 -3.037 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.167 -4.031 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.849 -4.805 0.503 1.00 0.00 H new ATOM 1419 N ILE A 91 4.746 -7.224 -0.787 1.00 0.00 N ATOM 1420 CA ILE A 91 3.425 -7.739 -1.203 1.00 0.00 C ATOM 1421 C ILE A 91 3.173 -9.135 -0.621 1.00 0.00 C ATOM 1422 O ILE A 91 2.080 -9.417 -0.116 1.00 0.00 O ATOM 1423 CB ILE A 91 3.299 -7.783 -2.777 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.626 -6.387 -3.407 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.895 -8.278 -3.224 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.651 -5.275 -3.075 1.00 0.00 C ATOM 0 H ILE A 91 5.369 -7.035 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 91 2.671 -7.055 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 91 4.033 -8.501 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.620 -6.084 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.668 -6.498 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.845 -8.295 -4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.723 -9.282 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.131 -7.604 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.971 -4.353 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.656 -5.546 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.624 -5.125 -1.996 1.00 0.00 H new ATOM 1438 N GLY A 92 4.214 -9.981 -0.690 1.00 0.00 N ATOM 1439 CA GLY A 92 4.165 -11.340 -0.154 1.00 0.00 C ATOM 1440 C GLY A 92 3.769 -11.399 1.321 1.00 0.00 C ATOM 1441 O GLY A 92 2.898 -12.192 1.700 1.00 0.00 O ATOM 0 H GLY A 92 5.107 -9.738 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.455 -11.927 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.142 -11.807 -0.279 1.00 0.00 H new ATOM 1445 N LEU A 93 4.424 -10.569 2.147 1.00 0.00 N ATOM 1446 CA LEU A 93 4.115 -10.471 3.584 1.00 0.00 C ATOM 1447 C LEU A 93 2.710 -9.868 3.779 1.00 0.00 C ATOM 1448 O LEU A 93 1.829 -10.523 4.319 1.00 0.00 O ATOM 1449 CB LEU A 93 5.205 -9.619 4.321 1.00 0.00 C ATOM 1450 CG LEU A 93 5.332 -9.802 5.886 1.00 0.00 C ATOM 1451 CD1 LEU A 93 6.632 -9.165 6.414 1.00 0.00 C ATOM 1452 CD2 LEU A 93 4.114 -9.257 6.684 1.00 0.00 C ATOM 0 H LEU A 93 5.176 -9.951 1.843 1.00 0.00 H new ATOM 0 HA LEU A 93 4.122 -11.470 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.172 -9.850 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.004 -8.567 4.120 1.00 0.00 H new ATOM 0 HG LEU A 93 5.357 -10.879 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.694 -9.305 7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.490 -9.639 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.633 -8.099 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.275 -9.419 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.001 -8.190 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.210 -9.780 6.370 1.00 0.00 H new ATOM 1464 N TYR A 94 2.510 -8.639 3.277 1.00 0.00 N ATOM 1465 CA TYR A 94 1.333 -7.799 3.607 1.00 0.00 C ATOM 1466 C TYR A 94 0.020 -8.292 2.982 1.00 0.00 C ATOM 1467 O TYR A 94 -1.047 -7.734 3.268 1.00 0.00 O ATOM 1468 CB TYR A 94 1.614 -6.330 3.218 1.00 0.00 C ATOM 1469 CG TYR A 94 2.718 -5.657 4.042 1.00 0.00 C ATOM 1470 CD1 TYR A 94 2.946 -6.015 5.373 1.00 0.00 C ATOM 1471 CD2 TYR A 94 3.493 -4.638 3.507 1.00 0.00 C ATOM 1472 CE1 TYR A 94 3.918 -5.396 6.126 1.00 0.00 C ATOM 1473 CE2 TYR A 94 4.468 -4.016 4.256 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.673 -4.391 5.570 1.00 0.00 C ATOM 1475 OH TYR A 94 5.651 -3.769 6.326 1.00 0.00 O ATOM 0 H TYR A 94 3.158 -8.193 2.628 1.00 0.00 H new ATOM 0 HA TYR A 94 1.186 -7.876 4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.890 -6.292 2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.694 -5.756 3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 94 2.347 -6.794 5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.329 -4.327 2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.087 -5.699 7.149 1.00 0.00 H new ATOM 0 HE2 TYR A 94 5.072 -3.236 3.816 1.00 0.00 H new ATOM 0 HH TYR A 94 5.478 -2.805 6.355 1.00 0.00 H new ATOM 1485 N ALA A 95 0.102 -9.329 2.127 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.075 -10.112 1.694 1.00 0.00 C ATOM 1487 C ALA A 95 -1.801 -10.777 2.895 1.00 0.00 C ATOM 1488 O ALA A 95 -2.949 -11.204 2.765 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.642 -11.164 0.663 1.00 0.00 C ATOM 0 H ALA A 95 0.980 -9.648 1.718 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.789 -9.430 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.511 -11.741 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.200 -10.667 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.093 -11.833 1.112 1.00 0.00 H new ATOM 1495 N GLN A 96 -1.119 -10.854 4.061 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.722 -11.328 5.325 1.00 0.00 C ATOM 1497 C GLN A 96 -2.305 -10.103 6.077 1.00 0.00 C ATOM 1498 O GLN A 96 -1.777 -8.989 5.944 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.668 -12.067 6.208 1.00 0.00 C ATOM 1500 CG GLN A 96 0.324 -11.151 6.965 1.00 0.00 C ATOM 1501 CD GLN A 96 1.476 -11.896 7.638 1.00 0.00 C ATOM 1502 OE1 GLN A 96 1.938 -12.923 7.141 1.00 0.00 O ATOM 1503 NE2 GLN A 96 1.943 -11.391 8.771 1.00 0.00 N ATOM 0 H GLN A 96 -0.138 -10.590 4.150 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.515 -12.043 5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.196 -12.682 6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.098 -12.745 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.736 -10.424 6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.223 -10.590 7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.537 -10.538 9.155 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.709 -11.856 9.259 1.00 0.00 H new ATOM 1512 N PRO A 97 -3.433 -10.258 6.827 1.00 0.00 N ATOM 1513 CA PRO A 97 -3.970 -9.193 7.699 1.00 0.00 C ATOM 1514 C PRO A 97 -3.420 -9.295 9.142 1.00 0.00 C ATOM 1515 O PRO A 97 -2.467 -10.053 9.396 1.00 0.00 O ATOM 1516 CB PRO A 97 -5.485 -9.482 7.615 1.00 0.00 C ATOM 1517 CG PRO A 97 -5.570 -10.981 7.586 1.00 0.00 C ATOM 1518 CD PRO A 97 -4.313 -11.462 6.860 1.00 0.00 C ATOM 0 HA PRO A 97 -3.698 -8.181 7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.018 -9.069 8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.926 -9.040 6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.617 -11.388 8.596 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.470 -11.311 7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.839 -12.289 7.388 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.543 -11.816 5.855 1.00 0.00 H new ATOM 1526 N ASN A 98 -4.043 -8.522 10.057 1.00 0.00 N ATOM 1527 CA ASN A 98 -3.735 -8.511 11.508 1.00 0.00 C ATOM 1528 C ASN A 98 -2.219 -8.286 11.777 1.00 0.00 C ATOM 1529 O ASN A 98 -1.525 -9.149 12.332 1.00 0.00 O ATOM 1530 CB ASN A 98 -4.288 -9.806 12.182 1.00 0.00 C ATOM 1531 CG ASN A 98 -4.210 -9.814 13.713 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -4.271 -8.766 14.362 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -4.072 -10.991 14.300 1.00 0.00 N ATOM 0 H ASN A 98 -4.790 -7.874 9.805 1.00 0.00 H new ATOM 0 HA ASN A 98 -4.241 -7.661 11.966 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -5.328 -9.939 11.884 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -3.735 -10.663 11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -4.013 -11.050 15.317 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -4.025 -11.840 13.736 1.00 0.00 H new ATOM 1540 N GLN A 99 -1.741 -7.100 11.340 1.00 0.00 N ATOM 1541 CA GLN A 99 -0.321 -6.669 11.462 1.00 0.00 C ATOM 1542 C GLN A 99 -0.117 -5.206 10.996 1.00 0.00 C ATOM 1543 O GLN A 99 1.021 -4.719 10.949 1.00 0.00 O ATOM 1544 CB GLN A 99 0.671 -7.649 10.725 1.00 0.00 C ATOM 1545 CG GLN A 99 0.351 -8.007 9.243 1.00 0.00 C ATOM 1546 CD GLN A 99 0.666 -6.924 8.205 1.00 0.00 C ATOM 1547 OE1 GLN A 99 1.551 -6.093 8.394 1.00 0.00 O ATOM 1548 NE2 GLN A 99 -0.028 -6.962 7.080 1.00 0.00 N ATOM 0 H GLN A 99 -2.333 -6.404 10.887 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.080 -6.711 12.524 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.667 -7.208 10.758 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.714 -8.577 11.295 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.907 -8.907 8.980 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.708 -8.254 9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.757 -7.665 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.165 -6.289 6.339 1.00 0.00 H new ATOM 1557 N GLY A 100 -1.220 -4.506 10.675 1.00 0.00 N ATOM 1558 CA GLY A 100 -1.177 -3.103 10.229 1.00 0.00 C ATOM 1559 C GLY A 100 -1.992 -2.876 8.964 1.00 0.00 C ATOM 1560 O GLY A 100 -2.536 -1.785 8.748 1.00 0.00 O ATOM 0 H GLY A 100 -2.162 -4.895 10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.555 -2.459 11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.142 -2.812 10.049 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.064 -3.909 8.100 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.866 -3.868 6.867 1.00 0.00 C ATOM 1566 C LEU A 101 -4.333 -4.217 7.196 1.00 0.00 C ATOM 1567 O LEU A 101 -4.688 -5.393 7.331 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.259 -4.814 5.781 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.068 -4.250 4.935 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.540 -3.170 3.952 1.00 0.00 C ATOM 1571 CD2 LEU A 101 0.075 -3.729 5.821 1.00 0.00 C ATOM 0 H LEU A 101 -1.569 -4.790 8.239 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.846 -2.861 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.922 -5.725 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.057 -5.099 5.095 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.672 -5.083 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.688 -2.800 3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.277 -3.595 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.991 -2.346 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.879 -3.348 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.296 -2.928 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.454 -4.541 6.441 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.133 -3.148 7.356 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.560 -3.177 7.769 1.00 0.00 C ATOM 1585 C VAL A 102 -7.429 -4.224 7.016 1.00 0.00 C ATOM 1586 O VAL A 102 -8.362 -4.791 7.590 1.00 0.00 O ATOM 1587 CB VAL A 102 -7.200 -1.744 7.630 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.534 -0.737 8.609 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -7.136 -1.225 6.160 1.00 0.00 C ATOM 0 H VAL A 102 -4.796 -2.199 7.196 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.554 -3.491 8.813 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.253 -1.829 7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.995 0.244 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.670 -1.082 9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.469 -0.666 8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.587 -0.234 6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.096 -1.169 5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.680 -1.909 5.509 1.00 0.00 H new ATOM 1599 N CYS A 103 -7.102 -4.476 5.741 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.839 -5.445 4.894 1.00 0.00 C ATOM 1601 C CYS A 103 -6.889 -6.422 4.191 1.00 0.00 C ATOM 1602 O CYS A 103 -7.348 -7.250 3.386 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.654 -4.671 3.847 1.00 0.00 C ATOM 1604 SG CYS A 103 -7.669 -3.575 2.807 1.00 0.00 S ATOM 0 H CYS A 103 -6.325 -4.021 5.263 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.499 -6.030 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.178 -5.384 3.210 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.415 -4.082 4.358 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.622 -4.213 2.374 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.573 -6.297 4.493 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.487 -7.008 3.788 1.00 0.00 C ATOM 1612 C ALA A 104 -4.376 -6.513 2.330 1.00 0.00 C ATOM 1613 O ALA A 104 -5.100 -5.599 1.908 1.00 0.00 O ATOM 1614 CB ALA A 104 -4.652 -8.542 3.861 1.00 0.00 C ATOM 0 H ALA A 104 -5.236 -5.692 5.242 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.552 -6.776 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.831 -9.022 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.644 -8.860 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.598 -8.828 3.402 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.429 -7.077 1.578 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.368 -6.896 0.126 1.00 0.00 C ATOM 1622 C LEU A 105 -4.188 -8.022 -0.522 1.00 0.00 C ATOM 1623 O LEU A 105 -3.651 -9.074 -0.885 1.00 0.00 O ATOM 1624 CB LEU A 105 -1.893 -6.866 -0.365 1.00 0.00 C ATOM 1625 CG LEU A 105 -0.971 -5.815 0.337 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.441 -5.823 -0.262 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.580 -4.394 0.321 1.00 0.00 C ATOM 0 H LEU A 105 -2.688 -7.668 1.955 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.796 -5.937 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.460 -7.856 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.889 -6.668 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.894 -6.113 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.057 -5.082 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.884 -6.811 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.387 -5.582 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.902 -3.702 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.731 -4.074 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.538 -4.403 0.842 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.518 -7.801 -0.588 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.502 -8.832 -0.996 1.00 0.00 C ATOM 1641 C LEU A 106 -7.115 -8.503 -2.376 1.00 0.00 C ATOM 1642 O LEU A 106 -6.915 -9.256 -3.336 1.00 0.00 O ATOM 1643 CB LEU A 106 -7.610 -9.002 0.091 1.00 0.00 C ATOM 1644 CG LEU A 106 -8.547 -10.244 -0.095 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -7.753 -11.569 -0.041 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -9.706 -10.231 0.930 1.00 0.00 C ATOM 0 H LEU A 106 -5.943 -6.902 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.976 -9.782 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.130 -9.073 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.225 -8.102 0.103 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.989 -10.176 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.436 -12.408 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.007 -11.579 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.255 -11.656 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.338 -11.105 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.298 -10.252 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.299 -9.326 0.797 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.834 -7.367 -2.473 1.00 0.00 N ATOM 1659 CA LEU A 107 -8.490 -6.931 -3.732 1.00 0.00 C ATOM 1660 C LEU A 107 -7.653 -5.811 -4.347 1.00 0.00 C ATOM 1661 O LEU A 107 -7.519 -4.776 -3.717 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.948 -6.406 -3.510 1.00 0.00 C ATOM 1663 CG LEU A 107 -10.990 -7.415 -2.921 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.878 -7.538 -1.385 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -12.431 -7.060 -3.354 1.00 0.00 C ATOM 0 H LEU A 107 -7.978 -6.728 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.555 -7.798 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.899 -5.544 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.328 -6.049 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.751 -8.394 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.620 -8.249 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.880 -7.888 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.054 -6.564 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -13.127 -7.781 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.682 -6.060 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -12.501 -7.088 -4.441 1.00 0.00 H new ATOM 1677 N PRO A 108 -7.037 -5.987 -5.554 1.00 0.00 N ATOM 1678 CA PRO A 108 -6.334 -4.888 -6.233 1.00 0.00 C ATOM 1679 C PRO A 108 -7.359 -3.852 -6.771 1.00 0.00 C ATOM 1680 O PRO A 108 -7.763 -2.950 -6.021 1.00 0.00 O ATOM 1681 CB PRO A 108 -5.492 -5.600 -7.338 1.00 0.00 C ATOM 1682 CG PRO A 108 -5.652 -7.079 -7.079 1.00 0.00 C ATOM 1683 CD PRO A 108 -6.965 -7.233 -6.342 1.00 0.00 C ATOM 0 HA PRO A 108 -5.681 -4.302 -5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -5.848 -5.335 -8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.444 -5.304 -7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.661 -7.640 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -4.823 -7.463 -6.484 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -7.807 -7.329 -7.028 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.971 -8.117 -5.705 1.00 0.00 H new ATOM 1691 N VAL A 109 -7.822 -4.029 -8.030 1.00 0.00 N ATOM 1692 CA VAL A 109 -8.906 -3.237 -8.644 1.00 0.00 C ATOM 1693 C VAL A 109 -9.602 -4.156 -9.683 1.00 0.00 C ATOM 1694 O VAL A 109 -9.036 -4.359 -10.784 1.00 0.00 O ATOM 1695 CB VAL A 109 -8.424 -1.883 -9.341 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -9.591 -1.217 -10.112 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -7.807 -0.875 -8.334 1.00 0.00 C ATOM 1698 OXT VAL A 109 -10.688 -4.703 -9.387 1.00 0.00 O ATOM 0 H VAL A 109 -7.444 -4.740 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.581 -2.914 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.638 -2.160 -10.043 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.240 -0.297 -10.579 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -9.955 -1.898 -10.881 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -10.400 -0.987 -9.419 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.498 0.026 -8.864 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.549 -0.615 -7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.941 -1.327 -7.851 1.00 0.00 H new