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= 0.607 K(o=1.5,f=-0.79) USER MOD Set 1.2: A 61 TYR OH : rot 43:sc= 0.891 USER MOD Set 2.1: A 51 CYS SG : rot -138:sc= -2.54! USER MOD Set 2.2: A 60 THR OG1 : rot -72:sc= 0.23 USER MOD Single : A 12 SER OG : rot -64:sc= 0.0799 USER MOD Single : A 14 TYR OH : rot 165:sc= -0.311 USER MOD Single : A 15 HIS : no HD1:sc= -0.0788 K(o=-0.079,f=-0.6) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 177:sc= 0.31 USER MOD Single : A 41 SER OG : rot -150: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= -0.065 X(o=-0.065,f=-0.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 74 GLN : amide:sc= -2.12 K(o=-2.1,f=-3.9!) USER MOD Single : A 75 THR OG1 : rot 145:sc= 0.356 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 94 TYR OH : rot 30:sc= -0.851 USER MOD Single : A 96 GLN : amide:sc= -0.0651 X(o=-0.065,f=-0.065) USER MOD Single : A 98 ASN : amide:sc= 0.0105 X(o=0.011,f=0) USER MOD Single : A 99 GLN : amide:sc= -2.72! C(o=-2.7!,f=-3!) USER MOD Single : A 103 CYS SG : rot -48:sc= -0.285 USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -0.707 -4.839 -12.310 1.00 0.00 N ATOM 182 CA SER A 12 0.167 -3.738 -11.934 1.00 0.00 C ATOM 183 C SER A 12 -0.574 -2.846 -10.940 1.00 0.00 C ATOM 184 O SER A 12 -1.432 -2.044 -11.334 1.00 0.00 O ATOM 185 CB SER A 12 0.586 -2.935 -13.197 1.00 0.00 C ATOM 186 OG SER A 12 1.492 -1.890 -12.878 1.00 0.00 O ATOM 0 HA SER A 12 1.074 -4.121 -11.467 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.047 -3.608 -13.920 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.301 -2.515 -13.672 1.00 0.00 H new ATOM 0 HG SER A 12 1.045 -1.234 -12.303 1.00 0.00 H new ATOM 192 N TRP A 13 -0.284 -3.016 -9.643 1.00 0.00 N ATOM 193 CA TRP A 13 -0.789 -2.124 -8.580 1.00 0.00 C ATOM 194 C TRP A 13 0.130 -0.892 -8.491 1.00 0.00 C ATOM 195 O TRP A 13 -0.315 0.205 -8.160 1.00 0.00 O ATOM 196 CB TRP A 13 -0.901 -2.880 -7.199 1.00 0.00 C ATOM 197 CG TRP A 13 -0.106 -4.171 -7.097 1.00 0.00 C ATOM 198 CD1 TRP A 13 -0.612 -5.444 -7.132 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.320 -4.323 -6.983 1.00 0.00 C ATOM 200 NE1 TRP A 13 0.397 -6.357 -7.025 1.00 0.00 N ATOM 201 CE2 TRP A 13 1.591 -5.700 -6.948 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.390 -3.432 -6.917 1.00 0.00 C ATOM 203 CZ2 TRP A 13 2.875 -6.207 -6.835 1.00 0.00 C ATOM 204 CZ3 TRP A 13 3.672 -3.931 -6.808 1.00 0.00 C ATOM 205 CH2 TRP A 13 3.910 -5.310 -6.775 1.00 0.00 C ATOM 0 H TRP A 13 0.306 -3.773 -9.297 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.798 -1.795 -8.828 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.572 -2.207 -6.408 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.951 -3.104 -7.011 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.659 -5.690 -7.230 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.278 -7.370 -7.006 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.218 -2.366 -6.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.054 -7.271 -6.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.505 -3.246 -6.747 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.925 -5.673 -6.701 1.00 0.00 H new ATOM 216 N TYR A 14 1.416 -1.090 -8.847 1.00 0.00 N ATOM 217 CA TYR A 14 2.406 -0.010 -8.859 1.00 0.00 C ATOM 218 C TYR A 14 2.145 0.880 -10.073 1.00 0.00 C ATOM 219 O TYR A 14 2.120 0.394 -11.210 1.00 0.00 O ATOM 220 CB TYR A 14 3.872 -0.525 -8.883 1.00 0.00 C ATOM 221 CG TYR A 14 4.897 0.631 -8.952 1.00 0.00 C ATOM 222 CD1 TYR A 14 5.178 1.407 -7.826 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.534 0.981 -10.151 1.00 0.00 C ATOM 224 CE1 TYR A 14 6.052 2.475 -7.895 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.412 2.048 -10.215 1.00 0.00 C ATOM 226 CZ TYR A 14 6.665 2.790 -9.085 1.00 0.00 C ATOM 227 OH TYR A 14 7.544 3.853 -9.145 1.00 0.00 O ATOM 0 H TYR A 14 1.788 -1.996 -9.131 1.00 0.00 H new ATOM 0 HA TYR A 14 2.294 0.552 -7.932 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.060 -1.122 -7.991 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.010 -1.182 -9.741 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.704 1.169 -6.885 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.335 0.406 -11.043 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.254 3.064 -7.012 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.896 2.297 -11.148 1.00 0.00 H new ATOM 0 HH TYR A 14 8.067 3.799 -9.972 1.00 0.00 H new ATOM 237 N HIS A 15 1.926 2.171 -9.824 1.00 0.00 N ATOM 238 CA HIS A 15 1.733 3.164 -10.866 1.00 0.00 C ATOM 239 C HIS A 15 2.495 4.447 -10.496 1.00 0.00 C ATOM 240 O HIS A 15 2.005 5.274 -9.721 1.00 0.00 O ATOM 241 CB HIS A 15 0.224 3.464 -11.086 1.00 0.00 C ATOM 242 CG HIS A 15 -0.591 2.314 -11.622 1.00 0.00 C ATOM 243 ND1 HIS A 15 -0.362 1.745 -12.856 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.634 1.630 -11.091 1.00 0.00 C ATOM 245 CE1 HIS A 15 -1.226 0.771 -13.063 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.009 0.681 -12.008 1.00 0.00 N ATOM 0 H HIS A 15 1.878 2.555 -8.880 1.00 0.00 H new ATOM 0 HA HIS A 15 2.126 2.770 -11.803 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.208 3.783 -10.137 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.134 4.304 -11.775 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.086 1.801 -10.125 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.282 0.153 -13.947 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.771 0.013 -11.891 1.00 0.00 H new ATOM 255 N ARG A 16 3.737 4.542 -10.995 1.00 0.00 N ATOM 256 CA ARG A 16 4.439 5.827 -11.173 1.00 0.00 C ATOM 257 C ARG A 16 3.641 6.668 -12.191 1.00 0.00 C ATOM 258 O ARG A 16 2.993 6.075 -13.065 1.00 0.00 O ATOM 259 CB ARG A 16 5.887 5.565 -11.686 1.00 0.00 C ATOM 260 CG ARG A 16 6.688 6.828 -12.090 1.00 0.00 C ATOM 261 CD ARG A 16 8.067 6.493 -12.680 1.00 0.00 C ATOM 262 NE ARG A 16 8.703 7.680 -13.282 1.00 0.00 N ATOM 263 CZ ARG A 16 9.460 7.677 -14.391 1.00 0.00 C ATOM 264 NH1 ARG A 16 9.682 6.556 -15.067 1.00 0.00 N ATOM 265 NH2 ARG A 16 9.990 8.808 -14.820 1.00 0.00 N ATOM 0 H ARG A 16 4.284 3.732 -11.287 1.00 0.00 H new ATOM 0 HA ARG A 16 4.509 6.365 -10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.440 5.038 -10.908 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.834 4.898 -12.547 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.114 7.399 -12.820 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.817 7.466 -11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.711 6.092 -11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.961 5.714 -13.435 1.00 0.00 H new ATOM 0 HE ARG A 16 8.556 8.576 -12.818 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.275 5.678 -14.746 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.260 6.573 -15.907 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.823 9.675 -14.310 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.566 8.814 -15.662 1.00 0.00 H new ATOM 279 N ASP A 17 3.669 8.024 -12.058 1.00 0.00 N ATOM 280 CA ASP A 17 2.913 8.967 -12.922 1.00 0.00 C ATOM 281 C ASP A 17 1.429 9.101 -12.469 1.00 0.00 C ATOM 282 O ASP A 17 0.732 10.032 -12.882 1.00 0.00 O ATOM 283 CB ASP A 17 3.066 8.629 -14.446 1.00 0.00 C ATOM 284 CG ASP A 17 2.345 9.590 -15.406 1.00 0.00 C ATOM 285 OD1 ASP A 17 2.907 10.654 -15.732 1.00 0.00 O ATOM 286 OD2 ASP A 17 1.221 9.271 -15.855 1.00 0.00 O ATOM 0 H ASP A 17 4.222 8.494 -11.341 1.00 0.00 H new ATOM 0 HA ASP A 17 3.360 9.953 -12.794 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.127 8.621 -14.695 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.690 7.620 -14.617 1.00 0.00 H new ATOM 291 N LEU A 18 0.978 8.213 -11.563 1.00 0.00 N ATOM 292 CA LEU A 18 -0.388 8.262 -10.995 1.00 0.00 C ATOM 293 C LEU A 18 -0.372 9.118 -9.716 1.00 0.00 C ATOM 294 O LEU A 18 0.371 8.812 -8.772 1.00 0.00 O ATOM 295 CB LEU A 18 -0.916 6.829 -10.694 1.00 0.00 C ATOM 296 CG LEU A 18 -2.376 6.724 -10.131 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.404 7.316 -11.118 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.731 5.267 -9.755 1.00 0.00 C ATOM 0 H LEU A 18 1.544 7.444 -11.204 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.063 8.713 -11.722 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.862 6.246 -11.613 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.240 6.360 -9.979 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.418 7.318 -9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.405 7.227 -10.697 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.176 8.367 -11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.358 6.772 -12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.749 5.229 -9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.655 4.634 -10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.039 4.909 -8.992 1.00 0.00 H new ATOM 310 N SER A 19 -1.196 10.177 -9.684 1.00 0.00 N ATOM 311 CA SER A 19 -1.271 11.097 -8.538 1.00 0.00 C ATOM 312 C SER A 19 -2.208 10.519 -7.465 1.00 0.00 C ATOM 313 O SER A 19 -3.060 9.685 -7.782 1.00 0.00 O ATOM 314 CB SER A 19 -1.751 12.483 -9.009 1.00 0.00 C ATOM 315 OG SER A 19 -0.863 13.042 -9.962 1.00 0.00 O ATOM 0 H SER A 19 -1.827 10.419 -10.448 1.00 0.00 H new ATOM 0 HA SER A 19 -0.280 11.213 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.747 12.396 -9.444 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.835 13.151 -8.152 1.00 0.00 H new ATOM 0 HG SER A 19 -1.195 13.920 -10.243 1.00 0.00 H new ATOM 321 N ARG A 20 -2.042 10.974 -6.211 1.00 0.00 N ATOM 322 CA ARG A 20 -2.731 10.401 -5.041 1.00 0.00 C ATOM 323 C ARG A 20 -4.269 10.538 -5.112 1.00 0.00 C ATOM 324 O ARG A 20 -4.973 9.556 -4.880 1.00 0.00 O ATOM 325 CB ARG A 20 -2.153 11.008 -3.731 1.00 0.00 C ATOM 326 CG ARG A 20 -2.173 12.547 -3.641 1.00 0.00 C ATOM 327 CD ARG A 20 -1.498 13.064 -2.363 1.00 0.00 C ATOM 328 NE ARG A 20 -1.539 14.529 -2.264 1.00 0.00 N ATOM 329 CZ ARG A 20 -1.130 15.238 -1.201 1.00 0.00 C ATOM 330 NH1 ARG A 20 -0.675 14.625 -0.113 1.00 0.00 N ATOM 331 NH2 ARG A 20 -1.175 16.563 -1.234 1.00 0.00 N ATOM 0 H ARG A 20 -1.424 11.752 -5.979 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.538 9.328 -5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.714 10.606 -2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.123 10.669 -3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.668 12.966 -4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.205 12.897 -3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.991 12.629 -1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.461 12.730 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.906 15.046 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.634 13.606 -0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.366 15.173 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.520 17.041 -2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.865 17.104 -0.427 1.00 0.00 H new ATOM 345 N ALA A 21 -4.772 11.741 -5.453 1.00 0.00 N ATOM 346 CA ALA A 21 -6.227 12.004 -5.617 1.00 0.00 C ATOM 347 C ALA A 21 -6.858 11.048 -6.654 1.00 0.00 C ATOM 348 O ALA A 21 -7.918 10.464 -6.409 1.00 0.00 O ATOM 349 CB ALA A 21 -6.473 13.472 -6.009 1.00 0.00 C ATOM 0 H ALA A 21 -4.188 12.560 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.709 11.818 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.543 13.643 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.082 14.127 -5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.968 13.687 -6.951 1.00 0.00 H new ATOM 355 N ALA A 22 -6.165 10.885 -7.794 1.00 0.00 N ATOM 356 CA ALA A 22 -6.588 9.968 -8.881 1.00 0.00 C ATOM 357 C ALA A 22 -6.496 8.489 -8.453 1.00 0.00 C ATOM 358 O ALA A 22 -7.315 7.663 -8.866 1.00 0.00 O ATOM 359 CB ALA A 22 -5.737 10.197 -10.133 1.00 0.00 C ATOM 0 H ALA A 22 -5.297 11.382 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.632 10.190 -9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.059 9.517 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.856 11.227 -10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.689 10.011 -9.899 1.00 0.00 H new ATOM 365 N ALA A 23 -5.492 8.184 -7.624 1.00 0.00 N ATOM 366 CA ALA A 23 -5.209 6.818 -7.148 1.00 0.00 C ATOM 367 C ALA A 23 -6.335 6.294 -6.247 1.00 0.00 C ATOM 368 O ALA A 23 -6.917 5.237 -6.506 1.00 0.00 O ATOM 369 CB ALA A 23 -3.873 6.804 -6.395 1.00 0.00 C ATOM 0 H ALA A 23 -4.844 8.882 -7.259 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.146 6.158 -8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.664 5.794 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.075 7.128 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.929 7.481 -5.542 1.00 0.00 H new ATOM 375 N GLU A 24 -6.626 7.062 -5.189 1.00 0.00 N ATOM 376 CA GLU A 24 -7.686 6.763 -4.203 1.00 0.00 C ATOM 377 C GLU A 24 -9.088 6.800 -4.852 1.00 0.00 C ATOM 378 O GLU A 24 -10.007 6.110 -4.404 1.00 0.00 O ATOM 379 CB GLU A 24 -7.595 7.798 -3.059 1.00 0.00 C ATOM 380 CG GLU A 24 -6.185 7.952 -2.452 1.00 0.00 C ATOM 381 CD GLU A 24 -6.028 9.221 -1.598 1.00 0.00 C ATOM 382 OE1 GLU A 24 -6.278 10.331 -2.126 1.00 0.00 O ATOM 383 OE2 GLU A 24 -5.651 9.130 -0.408 1.00 0.00 O ATOM 0 H GLU A 24 -6.124 7.927 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.538 5.756 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.924 8.767 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.288 7.510 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.964 7.079 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.450 7.970 -3.257 1.00 0.00 H new ATOM 390 N GLU A 25 -9.221 7.626 -5.912 1.00 0.00 N ATOM 391 CA GLU A 25 -10.440 7.693 -6.745 1.00 0.00 C ATOM 392 C GLU A 25 -10.675 6.325 -7.422 1.00 0.00 C ATOM 393 O GLU A 25 -11.765 5.747 -7.332 1.00 0.00 O ATOM 394 CB GLU A 25 -10.310 8.811 -7.821 1.00 0.00 C ATOM 395 CG GLU A 25 -11.561 9.045 -8.702 1.00 0.00 C ATOM 396 CD GLU A 25 -12.755 9.652 -7.942 1.00 0.00 C ATOM 397 OE1 GLU A 25 -12.723 10.868 -7.650 1.00 0.00 O ATOM 398 OE2 GLU A 25 -13.725 8.926 -7.635 1.00 0.00 O ATOM 0 H GLU A 25 -8.486 8.265 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.291 7.933 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.062 9.746 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.471 8.567 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.294 9.706 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.867 8.095 -9.141 1.00 0.00 H new ATOM 405 N LEU A 26 -9.611 5.814 -8.076 1.00 0.00 N ATOM 406 CA LEU A 26 -9.605 4.497 -8.753 1.00 0.00 C ATOM 407 C LEU A 26 -9.729 3.330 -7.752 1.00 0.00 C ATOM 408 O LEU A 26 -10.228 2.261 -8.115 1.00 0.00 O ATOM 409 CB LEU A 26 -8.319 4.318 -9.611 1.00 0.00 C ATOM 410 CG LEU A 26 -8.154 5.289 -10.822 1.00 0.00 C ATOM 411 CD1 LEU A 26 -6.804 5.056 -11.544 1.00 0.00 C ATOM 412 CD2 LEU A 26 -9.352 5.183 -11.796 1.00 0.00 C ATOM 0 H LEU A 26 -8.722 6.308 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.478 4.476 -9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.454 4.435 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.299 3.295 -9.987 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.144 6.308 -10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.716 5.746 -12.383 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.984 5.227 -10.846 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.760 4.031 -11.911 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.206 5.872 -12.628 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.423 4.164 -12.176 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.272 5.439 -11.270 1.00 0.00 H new ATOM 424 N LEU A 27 -9.256 3.513 -6.503 1.00 0.00 N ATOM 425 CA LEU A 27 -9.459 2.516 -5.430 1.00 0.00 C ATOM 426 C LEU A 27 -10.938 2.447 -5.047 1.00 0.00 C ATOM 427 O LEU A 27 -11.484 1.368 -4.893 1.00 0.00 O ATOM 428 CB LEU A 27 -8.615 2.837 -4.164 1.00 0.00 C ATOM 429 CG LEU A 27 -7.079 2.661 -4.306 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.347 3.041 -3.000 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.730 1.228 -4.760 1.00 0.00 C ATOM 0 H LEU A 27 -8.732 4.339 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.128 1.554 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.817 3.867 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.960 2.199 -3.350 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.731 3.346 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.273 2.907 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.555 4.083 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.695 2.402 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.648 1.129 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.098 0.513 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.196 1.028 -5.725 1.00 0.00 H new ATOM 443 N ALA A 28 -11.556 3.625 -4.895 1.00 0.00 N ATOM 444 CA ALA A 28 -12.975 3.761 -4.508 1.00 0.00 C ATOM 445 C ALA A 28 -13.910 3.332 -5.656 1.00 0.00 C ATOM 446 O ALA A 28 -15.046 2.913 -5.419 1.00 0.00 O ATOM 447 CB ALA A 28 -13.266 5.210 -4.079 1.00 0.00 C ATOM 0 H ALA A 28 -11.087 4.519 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.166 3.099 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.314 5.302 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.636 5.471 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.054 5.885 -4.909 1.00 0.00 H new ATOM 453 N ARG A 29 -13.421 3.452 -6.902 1.00 0.00 N ATOM 454 CA ARG A 29 -14.198 3.133 -8.111 1.00 0.00 C ATOM 455 C ARG A 29 -14.105 1.635 -8.463 1.00 0.00 C ATOM 456 O ARG A 29 -15.116 0.922 -8.463 1.00 0.00 O ATOM 457 CB ARG A 29 -13.681 4.008 -9.294 1.00 0.00 C ATOM 458 CG ARG A 29 -14.380 3.766 -10.647 1.00 0.00 C ATOM 459 CD ARG A 29 -15.882 4.090 -10.615 1.00 0.00 C ATOM 460 NE ARG A 29 -16.562 3.625 -11.839 1.00 0.00 N ATOM 461 CZ ARG A 29 -17.788 3.981 -12.244 1.00 0.00 C ATOM 462 NH1 ARG A 29 -18.526 4.838 -11.541 1.00 0.00 N ATOM 463 NH2 ARG A 29 -18.273 3.470 -13.364 1.00 0.00 N ATOM 0 H ARG A 29 -12.473 3.774 -7.099 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.248 3.355 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.798 5.058 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.613 3.828 -9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.899 4.375 -11.412 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.245 2.724 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -16.338 3.620 -9.743 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.021 5.166 -10.507 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.051 2.971 -12.432 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.160 5.237 -10.676 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -19.457 5.096 -11.867 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.714 2.813 -13.908 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -19.205 3.733 -13.683 1.00 0.00 H new ATOM 477 N ALA A 30 -12.874 1.174 -8.719 1.00 0.00 N ATOM 478 CA ALA A 30 -12.605 -0.139 -9.339 1.00 0.00 C ATOM 479 C ALA A 30 -12.717 -1.295 -8.332 1.00 0.00 C ATOM 480 O ALA A 30 -13.468 -2.250 -8.564 1.00 0.00 O ATOM 481 CB ALA A 30 -11.220 -0.134 -10.003 1.00 0.00 C ATOM 0 H ALA A 30 -12.028 1.701 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.369 -0.305 -10.098 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.031 -1.107 -10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.188 0.638 -10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.457 0.070 -9.252 1.00 0.00 H new ATOM 487 N GLY A 31 -11.966 -1.209 -7.223 1.00 0.00 N ATOM 488 CA GLY A 31 -12.001 -2.243 -6.178 1.00 0.00 C ATOM 489 C GLY A 31 -13.104 -1.968 -5.160 1.00 0.00 C ATOM 490 O GLY A 31 -13.699 -2.886 -4.606 1.00 0.00 O ATOM 0 H GLY A 31 -11.329 -0.437 -7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.161 -3.219 -6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.037 -2.283 -5.671 1.00 0.00 H new ATOM 494 N ARG A 32 -13.327 -0.665 -4.920 1.00 0.00 N ATOM 495 CA ARG A 32 -14.408 -0.097 -4.081 1.00 0.00 C ATOM 496 C ARG A 32 -14.385 -0.550 -2.587 1.00 0.00 C ATOM 497 O ARG A 32 -15.221 -0.103 -1.790 1.00 0.00 O ATOM 498 CB ARG A 32 -15.776 -0.360 -4.779 1.00 0.00 C ATOM 499 CG ARG A 32 -16.956 0.507 -4.288 1.00 0.00 C ATOM 500 CD ARG A 32 -18.212 0.352 -5.160 1.00 0.00 C ATOM 501 NE ARG A 32 -17.962 0.763 -6.553 1.00 0.00 N ATOM 502 CZ ARG A 32 -18.771 1.520 -7.297 1.00 0.00 C ATOM 503 NH1 ARG A 32 -19.905 2.009 -6.800 1.00 0.00 N ATOM 504 NH2 ARG A 32 -18.429 1.815 -8.533 1.00 0.00 N ATOM 0 H ARG A 32 -12.733 0.060 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.238 0.977 -4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.653 -0.201 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.038 -1.409 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.197 0.236 -3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.653 1.554 -4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.543 -0.686 -5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.021 0.952 -4.743 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.096 0.441 -6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.168 1.807 -5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.511 2.586 -7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.551 1.466 -8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.042 2.393 -9.108 1.00 0.00 H new ATOM 518 N ASP A 33 -13.350 -1.332 -2.199 1.00 0.00 N ATOM 519 CA ASP A 33 -13.236 -2.007 -0.877 1.00 0.00 C ATOM 520 C ASP A 33 -12.145 -3.076 -0.990 1.00 0.00 C ATOM 521 O ASP A 33 -12.130 -3.822 -1.979 1.00 0.00 O ATOM 522 CB ASP A 33 -14.565 -2.690 -0.414 1.00 0.00 C ATOM 523 CG ASP A 33 -14.456 -3.310 0.996 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.267 -2.549 1.960 1.00 0.00 O ATOM 525 OD2 ASP A 33 -14.534 -4.557 1.140 1.00 0.00 O ATOM 0 H ASP A 33 -12.552 -1.517 -2.807 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.997 -1.246 -0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.369 -1.954 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.837 -3.467 -1.128 1.00 0.00 H new ATOM 530 N GLY A 34 -11.228 -3.145 -0.009 1.00 0.00 N ATOM 531 CA GLY A 34 -10.139 -4.130 -0.024 1.00 0.00 C ATOM 532 C GLY A 34 -9.017 -3.787 -1.006 1.00 0.00 C ATOM 533 O GLY A 34 -7.997 -4.487 -1.053 1.00 0.00 O ATOM 0 H GLY A 34 -11.222 -2.529 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.720 -4.212 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.548 -5.108 -0.279 1.00 0.00 H new ATOM 537 N SER A 35 -9.193 -2.673 -1.750 1.00 0.00 N ATOM 538 CA SER A 35 -8.350 -2.297 -2.898 1.00 0.00 C ATOM 539 C SER A 35 -7.059 -1.589 -2.456 1.00 0.00 C ATOM 540 O SER A 35 -7.118 -0.625 -1.700 1.00 0.00 O ATOM 541 CB SER A 35 -9.150 -1.389 -3.878 1.00 0.00 C ATOM 542 OG SER A 35 -10.042 -0.525 -3.186 1.00 0.00 O ATOM 0 H SER A 35 -9.938 -2.001 -1.564 1.00 0.00 H new ATOM 0 HA SER A 35 -8.063 -3.216 -3.408 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.456 -0.795 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.713 -2.012 -4.573 1.00 0.00 H new ATOM 0 HG SER A 35 -10.492 0.063 -3.828 1.00 0.00 H new ATOM 548 N PHE A 36 -5.908 -2.040 -2.970 1.00 0.00 N ATOM 549 CA PHE A 36 -4.612 -1.380 -2.738 1.00 0.00 C ATOM 550 C PHE A 36 -3.913 -1.102 -4.080 1.00 0.00 C ATOM 551 O PHE A 36 -4.105 -1.828 -5.062 1.00 0.00 O ATOM 552 CB PHE A 36 -3.697 -2.242 -1.818 1.00 0.00 C ATOM 553 CG PHE A 36 -3.172 -3.551 -2.440 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.902 -4.733 -2.359 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.945 -3.592 -3.112 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.432 -5.907 -2.926 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.483 -4.764 -3.676 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.224 -5.919 -3.583 1.00 0.00 C ATOM 0 H PHE A 36 -5.846 -2.871 -3.558 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.799 -0.433 -2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.843 -1.636 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.251 -2.488 -0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.852 -4.735 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.351 -2.693 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.015 -6.813 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.535 -4.774 -4.193 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.858 -6.834 -4.025 1.00 0.00 H new ATOM 568 N LEU A 37 -3.086 -0.058 -4.097 1.00 0.00 N ATOM 569 CA LEU A 37 -2.128 0.199 -5.167 1.00 0.00 C ATOM 570 C LEU A 37 -0.865 0.815 -4.567 1.00 0.00 C ATOM 571 O LEU A 37 -0.880 1.340 -3.449 1.00 0.00 O ATOM 572 CB LEU A 37 -2.761 1.057 -6.323 1.00 0.00 C ATOM 573 CG LEU A 37 -3.497 2.394 -5.957 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.554 3.491 -5.430 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.336 2.906 -7.156 1.00 0.00 C ATOM 0 H LEU A 37 -3.064 0.643 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.845 -0.740 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.965 1.301 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.472 0.423 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.168 2.157 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.131 4.386 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.053 3.138 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.809 3.727 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.837 3.834 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.680 3.088 -8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.081 2.157 -7.425 1.00 0.00 H new ATOM 587 N VAL A 38 0.220 0.742 -5.320 1.00 0.00 N ATOM 588 CA VAL A 38 1.505 1.343 -4.964 1.00 0.00 C ATOM 589 C VAL A 38 1.788 2.483 -5.959 1.00 0.00 C ATOM 590 O VAL A 38 1.259 2.480 -7.070 1.00 0.00 O ATOM 591 CB VAL A 38 2.635 0.253 -4.983 1.00 0.00 C ATOM 592 CG1 VAL A 38 3.980 0.799 -4.436 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.174 -1.008 -4.208 1.00 0.00 C ATOM 0 H VAL A 38 0.238 0.254 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 38 1.477 1.751 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 38 2.815 -0.026 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.732 0.011 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.308 1.639 -5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.846 1.131 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.966 -1.757 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.954 -0.740 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.278 -1.415 -4.676 1.00 0.00 H new ATOM 603 N ARG A 39 2.580 3.478 -5.542 1.00 0.00 N ATOM 604 CA ARG A 39 2.896 4.673 -6.344 1.00 0.00 C ATOM 605 C ARG A 39 4.371 5.041 -6.161 1.00 0.00 C ATOM 606 O ARG A 39 5.073 4.490 -5.302 1.00 0.00 O ATOM 607 CB ARG A 39 2.030 5.898 -5.926 1.00 0.00 C ATOM 608 CG ARG A 39 0.504 5.721 -6.054 1.00 0.00 C ATOM 609 CD ARG A 39 -0.267 7.008 -5.718 1.00 0.00 C ATOM 610 NE ARG A 39 0.141 7.566 -4.410 1.00 0.00 N ATOM 611 CZ ARG A 39 -0.649 7.766 -3.347 1.00 0.00 C ATOM 612 NH1 ARG A 39 -1.926 7.368 -3.351 1.00 0.00 N ATOM 613 NH2 ARG A 39 -0.142 8.348 -2.271 1.00 0.00 N ATOM 0 H ARG A 39 3.027 3.479 -4.625 1.00 0.00 H new ATOM 0 HA ARG A 39 2.681 4.432 -7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.262 6.145 -4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.329 6.753 -6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.261 5.410 -7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.177 4.921 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.096 7.749 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.337 6.799 -5.706 1.00 0.00 H new ATOM 0 HE ARG A 39 1.122 7.824 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.313 6.904 -4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.513 7.529 -2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.836 8.636 -2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.730 8.508 -1.453 1.00 0.00 H new ATOM 627 N ASP A 40 4.813 5.981 -6.991 1.00 0.00 N ATOM 628 CA ASP A 40 6.097 6.664 -6.838 1.00 0.00 C ATOM 629 C ASP A 40 5.889 7.886 -5.921 1.00 0.00 C ATOM 630 O ASP A 40 4.900 8.614 -6.085 1.00 0.00 O ATOM 631 CB ASP A 40 6.608 7.097 -8.233 1.00 0.00 C ATOM 632 CG ASP A 40 7.946 7.848 -8.197 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.954 7.243 -7.789 1.00 0.00 O ATOM 634 OD2 ASP A 40 8.005 9.031 -8.596 1.00 0.00 O ATOM 0 H ASP A 40 4.282 6.296 -7.803 1.00 0.00 H new ATOM 0 HA ASP A 40 6.841 6.005 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.715 6.213 -8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.858 7.733 -8.703 1.00 0.00 H new ATOM 639 N SER A 41 6.798 8.086 -4.942 1.00 0.00 N ATOM 640 CA SER A 41 6.704 9.205 -3.986 1.00 0.00 C ATOM 641 C SER A 41 6.810 10.564 -4.708 1.00 0.00 C ATOM 642 O SER A 41 7.679 10.762 -5.564 1.00 0.00 O ATOM 643 CB SER A 41 7.782 9.088 -2.888 1.00 0.00 C ATOM 644 OG SER A 41 7.543 7.963 -2.056 1.00 0.00 O ATOM 0 H SER A 41 7.607 7.483 -4.795 1.00 0.00 H new ATOM 0 HA SER A 41 5.725 9.150 -3.509 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.766 9.002 -3.348 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.791 9.996 -2.284 1.00 0.00 H new ATOM 0 HG SER A 41 7.883 8.144 -1.155 1.00 0.00 H new ATOM 650 N GLU A 42 5.924 11.486 -4.317 1.00 0.00 N ATOM 651 CA GLU A 42 5.739 12.790 -4.978 1.00 0.00 C ATOM 652 C GLU A 42 6.415 13.924 -4.179 1.00 0.00 C ATOM 653 O GLU A 42 6.166 15.110 -4.433 1.00 0.00 O ATOM 654 CB GLU A 42 4.217 13.038 -5.134 1.00 0.00 C ATOM 655 CG GLU A 42 3.433 13.002 -3.805 1.00 0.00 C ATOM 656 CD GLU A 42 1.920 13.161 -3.991 1.00 0.00 C ATOM 657 OE1 GLU A 42 1.251 12.164 -4.360 1.00 0.00 O ATOM 658 OE2 GLU A 42 1.393 14.280 -3.788 1.00 0.00 O ATOM 0 H GLU A 42 5.303 11.348 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 42 6.213 12.779 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.064 14.008 -5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.804 12.287 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.633 12.058 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.798 13.796 -3.154 1.00 0.00 H new ATOM 665 N SER A 43 7.297 13.549 -3.230 1.00 0.00 N ATOM 666 CA SER A 43 7.989 14.500 -2.348 1.00 0.00 C ATOM 667 C SER A 43 9.397 13.970 -2.006 1.00 0.00 C ATOM 668 O SER A 43 10.403 14.586 -2.370 1.00 0.00 O ATOM 669 CB SER A 43 7.156 14.733 -1.061 1.00 0.00 C ATOM 670 OG SER A 43 7.774 15.674 -0.193 1.00 0.00 O ATOM 0 H SER A 43 7.547 12.575 -3.057 1.00 0.00 H new ATOM 0 HA SER A 43 8.097 15.455 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.161 15.087 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.026 13.786 -0.537 1.00 0.00 H new ATOM 0 HG SER A 43 7.219 15.796 0.606 1.00 0.00 H new ATOM 676 N VAL A 44 9.455 12.800 -1.329 1.00 0.00 N ATOM 677 CA VAL A 44 10.716 12.256 -0.764 1.00 0.00 C ATOM 678 C VAL A 44 11.479 11.353 -1.772 1.00 0.00 C ATOM 679 O VAL A 44 10.902 10.420 -2.341 1.00 0.00 O ATOM 680 CB VAL A 44 10.462 11.482 0.591 1.00 0.00 C ATOM 681 CG1 VAL A 44 9.910 12.447 1.669 1.00 0.00 C ATOM 682 CG2 VAL A 44 9.522 10.262 0.403 1.00 0.00 C ATOM 0 H VAL A 44 8.640 12.211 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 44 11.350 13.117 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 44 11.422 11.091 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.740 11.899 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.631 13.245 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.970 12.877 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.378 9.763 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.559 10.600 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.968 9.565 -0.306 1.00 0.00 H new ATOM 692 N ALA A 45 12.762 11.725 -1.985 1.00 0.00 N ATOM 693 CA ALA A 45 13.814 10.980 -2.744 1.00 0.00 C ATOM 694 C ALA A 45 13.311 9.982 -3.831 1.00 0.00 C ATOM 695 O ALA A 45 12.452 10.341 -4.645 1.00 0.00 O ATOM 696 CB ALA A 45 14.759 10.330 -1.720 1.00 0.00 C ATOM 0 H ALA A 45 13.120 12.604 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 45 14.344 11.708 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.539 9.778 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.215 11.104 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.194 9.646 -1.086 1.00 0.00 H new ATOM 702 N GLY A 46 13.877 8.748 -3.859 1.00 0.00 N ATOM 703 CA GLY A 46 13.430 7.678 -4.754 1.00 0.00 C ATOM 704 C GLY A 46 12.687 6.599 -3.988 1.00 0.00 C ATOM 705 O GLY A 46 13.069 5.421 -4.001 1.00 0.00 O ATOM 0 H GLY A 46 14.655 8.479 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.781 8.093 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.290 7.241 -5.261 1.00 0.00 H new ATOM 709 N ALA A 47 11.617 7.013 -3.302 1.00 0.00 N ATOM 710 CA ALA A 47 10.851 6.150 -2.386 1.00 0.00 C ATOM 711 C ALA A 47 9.519 5.712 -3.021 1.00 0.00 C ATOM 712 O ALA A 47 9.146 6.182 -4.106 1.00 0.00 O ATOM 713 CB ALA A 47 10.619 6.894 -1.058 1.00 0.00 C ATOM 0 H ALA A 47 11.252 7.963 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 47 11.424 5.244 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.052 6.257 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.580 7.141 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.060 7.811 -1.247 1.00 0.00 H new ATOM 719 N PHE A 48 8.804 4.828 -2.320 1.00 0.00 N ATOM 720 CA PHE A 48 7.496 4.294 -2.756 1.00 0.00 C ATOM 721 C PHE A 48 6.393 4.754 -1.783 1.00 0.00 C ATOM 722 O PHE A 48 6.689 5.143 -0.633 1.00 0.00 O ATOM 723 CB PHE A 48 7.526 2.740 -2.822 1.00 0.00 C ATOM 724 CG PHE A 48 8.558 2.154 -3.782 1.00 0.00 C ATOM 725 CD1 PHE A 48 9.885 1.971 -3.385 1.00 0.00 C ATOM 726 CD2 PHE A 48 8.202 1.778 -5.073 1.00 0.00 C ATOM 727 CE1 PHE A 48 10.818 1.436 -4.255 1.00 0.00 C ATOM 728 CE2 PHE A 48 9.134 1.242 -5.940 1.00 0.00 C ATOM 729 CZ PHE A 48 10.441 1.072 -5.534 1.00 0.00 C ATOM 0 H PHE A 48 9.114 4.454 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 48 7.283 4.677 -3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.721 2.353 -1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.538 2.385 -3.114 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.186 2.251 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.182 1.907 -5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.841 1.303 -3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.839 0.955 -6.938 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.169 0.655 -6.214 1.00 0.00 H new ATOM 739 N ALA A 49 5.133 4.733 -2.271 1.00 0.00 N ATOM 740 CA ALA A 49 3.920 4.992 -1.469 1.00 0.00 C ATOM 741 C ALA A 49 2.949 3.806 -1.621 1.00 0.00 C ATOM 742 O ALA A 49 2.815 3.271 -2.713 1.00 0.00 O ATOM 743 CB ALA A 49 3.252 6.306 -1.921 1.00 0.00 C ATOM 0 H ALA A 49 4.929 4.532 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 49 4.192 5.097 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.359 6.485 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.950 7.133 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.974 6.230 -2.972 1.00 0.00 H new ATOM 749 N LEU A 50 2.267 3.408 -0.536 1.00 0.00 N ATOM 750 CA LEU A 50 1.283 2.305 -0.545 1.00 0.00 C ATOM 751 C LEU A 50 -0.053 2.851 -0.034 1.00 0.00 C ATOM 752 O LEU A 50 -0.157 3.244 1.123 1.00 0.00 O ATOM 753 CB LEU A 50 1.746 1.116 0.351 1.00 0.00 C ATOM 754 CG LEU A 50 0.718 -0.058 0.534 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.411 -0.779 -0.802 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.180 -1.051 1.626 1.00 0.00 C ATOM 0 H LEU A 50 2.381 3.843 0.380 1.00 0.00 H new ATOM 0 HA LEU A 50 1.183 1.927 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.663 0.705 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.997 1.508 1.337 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.217 0.388 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.304 -1.583 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.011 -0.067 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.332 -1.196 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.445 -1.850 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.144 -1.477 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.277 -0.527 2.577 1.00 0.00 H new ATOM 768 N CYS A 51 -1.062 2.851 -0.902 1.00 0.00 N ATOM 769 CA CYS A 51 -2.388 3.411 -0.620 1.00 0.00 C ATOM 770 C CYS A 51 -3.400 2.255 -0.612 1.00 0.00 C ATOM 771 O CYS A 51 -3.561 1.571 -1.625 1.00 0.00 O ATOM 772 CB CYS A 51 -2.733 4.460 -1.699 1.00 0.00 C ATOM 773 SG CYS A 51 -4.272 5.346 -1.416 1.00 0.00 S ATOM 0 H CYS A 51 -0.983 2.455 -1.839 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.412 3.909 0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.919 5.182 -1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.788 3.962 -2.667 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.916 5.466 -2.539 1.00 0.00 H new ATOM 779 N VAL A 52 -4.072 2.036 0.536 1.00 0.00 N ATOM 780 CA VAL A 52 -4.927 0.847 0.762 1.00 0.00 C ATOM 781 C VAL A 52 -6.316 1.300 1.235 1.00 0.00 C ATOM 782 O VAL A 52 -6.413 2.202 2.061 1.00 0.00 O ATOM 783 CB VAL A 52 -4.323 -0.134 1.847 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.027 -1.515 1.797 1.00 0.00 C ATOM 785 CG2 VAL A 52 -2.790 -0.287 1.707 1.00 0.00 C ATOM 0 H VAL A 52 -4.040 2.674 1.331 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.988 0.310 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.511 0.312 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.594 -2.171 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.092 -1.388 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.891 -1.957 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.421 -0.969 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.553 -0.686 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.315 0.686 1.829 1.00 0.00 H new ATOM 795 N LEU A 53 -7.373 0.630 0.750 1.00 0.00 N ATOM 796 CA LEU A 53 -8.778 0.953 1.046 1.00 0.00 C ATOM 797 C LEU A 53 -9.458 -0.281 1.652 1.00 0.00 C ATOM 798 O LEU A 53 -9.241 -1.395 1.183 1.00 0.00 O ATOM 799 CB LEU A 53 -9.531 1.395 -0.248 1.00 0.00 C ATOM 800 CG LEU A 53 -11.101 1.484 -0.167 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.597 2.417 0.962 1.00 0.00 C ATOM 802 CD2 LEU A 53 -11.700 1.899 -1.524 1.00 0.00 C ATOM 0 H LEU A 53 -7.272 -0.171 0.126 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.810 1.780 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.151 2.373 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.272 0.698 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.454 0.483 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.687 2.436 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.237 2.049 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.217 3.425 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.786 1.953 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.309 2.875 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.430 1.163 -2.281 1.00 0.00 H new ATOM 814 N TYR A 54 -10.283 -0.046 2.687 1.00 0.00 N ATOM 815 CA TYR A 54 -11.142 -1.069 3.303 1.00 0.00 C ATOM 816 C TYR A 54 -12.135 -0.397 4.269 1.00 0.00 C ATOM 817 O TYR A 54 -11.724 0.430 5.076 1.00 0.00 O ATOM 818 CB TYR A 54 -10.325 -2.161 4.033 1.00 0.00 C ATOM 819 CG TYR A 54 -11.181 -3.321 4.541 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.502 -4.393 3.707 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.688 -3.331 5.841 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.291 -5.432 4.159 1.00 0.00 C ATOM 823 CE2 TYR A 54 -12.480 -4.363 6.292 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.775 -5.410 5.447 1.00 0.00 C ATOM 825 OH TYR A 54 -13.575 -6.433 5.896 1.00 0.00 O ATOM 0 H TYR A 54 -10.372 0.871 3.124 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.690 -1.569 2.504 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.565 -2.550 3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.801 -1.710 4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.128 -4.410 2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.455 -2.513 6.507 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.527 -6.258 3.505 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.867 -4.352 7.300 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.830 -6.264 6.827 1.00 0.00 H new ATOM 835 N GLN A 55 -13.409 -0.833 4.222 1.00 0.00 N ATOM 836 CA GLN A 55 -14.513 -0.324 5.079 1.00 0.00 C ATOM 837 C GLN A 55 -14.552 1.230 5.121 1.00 0.00 C ATOM 838 O GLN A 55 -14.784 1.836 6.175 1.00 0.00 O ATOM 839 CB GLN A 55 -14.381 -0.959 6.509 1.00 0.00 C ATOM 840 CG GLN A 55 -15.640 -0.872 7.401 1.00 0.00 C ATOM 841 CD GLN A 55 -16.849 -1.616 6.833 1.00 0.00 C ATOM 842 OE1 GLN A 55 -17.657 -1.041 6.094 1.00 0.00 O ATOM 843 NE2 GLN A 55 -16.970 -2.905 7.148 1.00 0.00 N ATOM 0 H GLN A 55 -13.712 -1.563 3.577 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.468 -0.625 4.648 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.110 -2.009 6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.556 -0.471 7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.405 -1.277 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.903 0.176 7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.285 -3.347 7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.748 -3.450 6.776 1.00 0.00 H new ATOM 852 N LYS A 56 -14.361 1.858 3.946 1.00 0.00 N ATOM 853 CA LYS A 56 -14.217 3.322 3.786 1.00 0.00 C ATOM 854 C LYS A 56 -13.062 3.903 4.635 1.00 0.00 C ATOM 855 O LYS A 56 -13.208 4.938 5.301 1.00 0.00 O ATOM 856 CB LYS A 56 -15.563 4.054 4.057 1.00 0.00 C ATOM 857 CG LYS A 56 -16.713 3.652 3.106 1.00 0.00 C ATOM 858 CD LYS A 56 -17.975 4.506 3.329 1.00 0.00 C ATOM 859 CE LYS A 56 -19.144 4.101 2.416 1.00 0.00 C ATOM 860 NZ LYS A 56 -20.337 4.949 2.668 1.00 0.00 N ATOM 0 H LYS A 56 -14.301 1.354 3.061 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.947 3.501 2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.871 3.854 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.400 5.129 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.382 3.758 2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.956 2.600 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.287 4.418 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.733 5.555 3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.843 4.192 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -19.396 3.054 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -21.111 4.655 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -20.636 4.842 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.100 5.945 2.483 1.00 0.00 H new ATOM 874 N HIS A 57 -11.910 3.220 4.591 1.00 0.00 N ATOM 875 CA HIS A 57 -10.655 3.706 5.176 1.00 0.00 C ATOM 876 C HIS A 57 -9.560 3.591 4.114 1.00 0.00 C ATOM 877 O HIS A 57 -9.097 2.485 3.830 1.00 0.00 O ATOM 878 CB HIS A 57 -10.242 2.884 6.437 1.00 0.00 C ATOM 879 CG HIS A 57 -11.200 2.968 7.591 1.00 0.00 C ATOM 880 ND1 HIS A 57 -11.166 3.984 8.520 1.00 0.00 N ATOM 881 CD2 HIS A 57 -12.207 2.149 7.970 1.00 0.00 C ATOM 882 CE1 HIS A 57 -12.104 3.779 9.425 1.00 0.00 C ATOM 883 NE2 HIS A 57 -12.751 2.675 9.110 1.00 0.00 N ATOM 0 H HIS A 57 -11.823 2.307 4.144 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.794 4.740 5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.132 1.838 6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.263 3.227 6.771 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -12.523 1.247 7.467 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -12.307 4.409 10.279 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -13.532 2.277 9.632 1.00 0.00 H new ATOM 892 N VAL A 58 -9.182 4.728 3.512 1.00 0.00 N ATOM 893 CA VAL A 58 -8.014 4.812 2.625 1.00 0.00 C ATOM 894 C VAL A 58 -6.843 5.350 3.454 1.00 0.00 C ATOM 895 O VAL A 58 -6.830 6.537 3.798 1.00 0.00 O ATOM 896 CB VAL A 58 -8.247 5.747 1.372 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.994 5.767 0.458 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.503 5.326 0.575 1.00 0.00 C ATOM 0 H VAL A 58 -9.676 5.613 3.626 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.814 3.816 2.229 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.417 6.758 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.178 6.417 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.139 6.141 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.783 4.757 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.632 5.991 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.384 4.301 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.380 5.388 1.219 1.00 0.00 H new ATOM 908 N HIS A 59 -5.887 4.479 3.819 1.00 0.00 N ATOM 909 CA HIS A 59 -4.684 4.876 4.562 1.00 0.00 C ATOM 910 C HIS A 59 -3.462 4.694 3.650 1.00 0.00 C ATOM 911 O HIS A 59 -3.324 3.652 2.996 1.00 0.00 O ATOM 912 CB HIS A 59 -4.546 4.033 5.863 1.00 0.00 C ATOM 913 CG HIS A 59 -3.685 4.671 6.931 1.00 0.00 C ATOM 914 ND1 HIS A 59 -3.090 3.962 7.952 1.00 0.00 N ATOM 915 CD2 HIS A 59 -3.358 5.970 7.151 1.00 0.00 C ATOM 916 CE1 HIS A 59 -2.446 4.793 8.750 1.00 0.00 C ATOM 917 NE2 HIS A 59 -2.590 6.017 8.282 1.00 0.00 N ATOM 0 H HIS A 59 -5.928 3.482 3.607 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.757 5.922 4.859 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.540 3.854 6.273 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.127 3.060 5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.651 6.813 6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.894 4.517 9.636 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.194 6.861 8.696 1.00 0.00 H new ATOM 926 N THR A 60 -2.575 5.699 3.619 1.00 0.00 N ATOM 927 CA THR A 60 -1.404 5.717 2.733 1.00 0.00 C ATOM 928 C THR A 60 -0.120 5.740 3.581 1.00 0.00 C ATOM 929 O THR A 60 -0.073 6.376 4.638 1.00 0.00 O ATOM 930 CB THR A 60 -1.452 6.949 1.763 1.00 0.00 C ATOM 931 OG1 THR A 60 -2.691 6.931 1.033 1.00 0.00 O ATOM 932 CG2 THR A 60 -0.269 6.968 0.769 1.00 0.00 C ATOM 0 H THR A 60 -2.651 6.526 4.211 1.00 0.00 H new ATOM 0 HA THR A 60 -1.411 4.816 2.120 1.00 0.00 H new ATOM 0 HB THR A 60 -1.377 7.849 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.669 6.211 0.368 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.352 7.841 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.670 7.013 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.289 6.063 0.162 1.00 0.00 H new ATOM 940 N TYR A 61 0.902 5.020 3.106 1.00 0.00 N ATOM 941 CA TYR A 61 2.197 4.869 3.779 1.00 0.00 C ATOM 942 C TYR A 61 3.297 5.300 2.805 1.00 0.00 C ATOM 943 O TYR A 61 3.092 5.273 1.591 1.00 0.00 O ATOM 944 CB TYR A 61 2.406 3.383 4.199 1.00 0.00 C ATOM 945 CG TYR A 61 1.221 2.790 4.992 1.00 0.00 C ATOM 946 CD1 TYR A 61 0.860 3.312 6.235 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.448 1.739 4.481 1.00 0.00 C ATOM 948 CE1 TYR A 61 -0.206 2.808 6.941 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.632 1.239 5.187 1.00 0.00 C ATOM 950 CZ TYR A 61 -0.950 1.774 6.415 1.00 0.00 C ATOM 951 OH TYR A 61 -2.032 1.293 7.123 1.00 0.00 O ATOM 0 H TYR A 61 0.851 4.514 2.222 1.00 0.00 H new ATOM 0 HA TYR A 61 2.230 5.488 4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.571 2.782 3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.310 3.309 4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.430 4.129 6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.699 1.312 3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.460 3.221 7.906 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.222 0.433 4.777 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.538 2.044 7.498 1.00 0.00 H new ATOM 961 N ARG A 62 4.441 5.727 3.342 1.00 0.00 N ATOM 962 CA ARG A 62 5.675 5.908 2.560 1.00 0.00 C ATOM 963 C ARG A 62 6.600 4.725 2.833 1.00 0.00 C ATOM 964 O ARG A 62 6.429 4.010 3.836 1.00 0.00 O ATOM 965 CB ARG A 62 6.359 7.264 2.848 1.00 0.00 C ATOM 966 CG ARG A 62 5.523 8.484 2.404 1.00 0.00 C ATOM 967 CD ARG A 62 6.307 9.803 2.481 1.00 0.00 C ATOM 968 NE ARG A 62 6.897 10.038 3.816 1.00 0.00 N ATOM 969 CZ ARG A 62 7.338 11.221 4.264 1.00 0.00 C ATOM 970 NH1 ARG A 62 7.164 12.322 3.551 1.00 0.00 N ATOM 971 NH2 ARG A 62 7.932 11.291 5.441 1.00 0.00 N ATOM 0 H ARG A 62 4.543 5.958 4.330 1.00 0.00 H new ATOM 0 HA ARG A 62 5.426 5.933 1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.559 7.341 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.323 7.290 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.179 8.330 1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.635 8.558 3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.101 9.793 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.643 10.631 2.231 1.00 0.00 H new ATOM 0 HE ARG A 62 6.974 9.238 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.689 12.276 2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.504 13.217 3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.052 10.448 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.270 12.188 5.789 1.00 0.00 H new ATOM 985 N ILE A 63 7.576 4.503 1.942 1.00 0.00 N ATOM 986 CA ILE A 63 8.309 3.225 1.875 1.00 0.00 C ATOM 987 C ILE A 63 9.739 3.661 1.496 1.00 0.00 C ATOM 988 O ILE A 63 10.000 3.979 0.327 1.00 0.00 O ATOM 989 CB ILE A 63 7.738 2.178 0.833 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.361 1.566 1.277 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.762 1.053 0.548 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.118 2.340 0.915 1.00 0.00 C ATOM 0 H ILE A 63 7.879 5.193 1.254 1.00 0.00 H new ATOM 0 HA ILE A 63 8.232 2.687 2.820 1.00 0.00 H new ATOM 0 HB ILE A 63 7.561 2.733 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.278 0.570 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.379 1.442 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.340 0.351 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.675 1.487 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.994 0.528 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.239 1.808 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.159 3.329 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.056 2.443 -0.168 1.00 0.00 H new ATOM 1004 N LEU A 64 10.654 3.711 2.476 1.00 0.00 N ATOM 1005 CA LEU A 64 11.934 4.440 2.319 1.00 0.00 C ATOM 1006 C LEU A 64 13.094 3.465 2.070 1.00 0.00 C ATOM 1007 O LEU A 64 13.168 2.431 2.734 1.00 0.00 O ATOM 1008 CB LEU A 64 12.230 5.354 3.561 1.00 0.00 C ATOM 1009 CG LEU A 64 11.451 6.717 3.613 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.936 6.533 3.816 1.00 0.00 C ATOM 1011 CD2 LEU A 64 12.048 7.665 4.677 1.00 0.00 C ATOM 0 H LEU A 64 10.538 3.260 3.383 1.00 0.00 H new ATOM 0 HA LEU A 64 11.839 5.087 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.998 4.791 4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.299 5.568 3.584 1.00 0.00 H new ATOM 0 HG LEU A 64 11.577 7.181 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.451 7.509 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.527 5.948 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.756 6.011 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.487 8.599 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.988 7.194 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.091 7.871 4.436 1.00 0.00 H new ATOM 1023 N PRO A 65 14.032 3.793 1.111 1.00 0.00 N ATOM 1024 CA PRO A 65 15.246 2.979 0.840 1.00 0.00 C ATOM 1025 C PRO A 65 16.348 3.244 1.908 1.00 0.00 C ATOM 1026 O PRO A 65 16.010 3.439 3.087 1.00 0.00 O ATOM 1027 CB PRO A 65 15.626 3.444 -0.591 1.00 0.00 C ATOM 1028 CG PRO A 65 15.245 4.890 -0.609 1.00 0.00 C ATOM 1029 CD PRO A 65 13.980 4.993 0.223 1.00 0.00 C ATOM 0 HA PRO A 65 15.102 1.900 0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.690 3.308 -0.787 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.087 2.879 -1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 65 16.039 5.509 -0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 65 15.073 5.237 -1.628 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.957 5.917 0.801 1.00 0.00 H new ATOM 0 HD3 PRO A 65 13.088 4.987 -0.404 1.00 0.00 H new ATOM 1037 N ASP A 66 17.643 3.346 1.487 1.00 0.00 N ATOM 1038 CA ASP A 66 18.811 3.299 2.424 1.00 0.00 C ATOM 1039 C ASP A 66 20.140 3.174 1.625 1.00 0.00 C ATOM 1040 O ASP A 66 20.121 3.173 0.389 1.00 0.00 O ATOM 1041 CB ASP A 66 18.660 2.101 3.438 1.00 0.00 C ATOM 1042 CG ASP A 66 19.508 2.244 4.713 1.00 0.00 C ATOM 1043 OD1 ASP A 66 19.099 3.006 5.622 1.00 0.00 O ATOM 1044 OD2 ASP A 66 20.572 1.609 4.810 1.00 0.00 O ATOM 0 H ASP A 66 17.906 3.461 0.508 1.00 0.00 H new ATOM 0 HA ASP A 66 18.835 4.228 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.611 2.009 3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.936 1.175 2.933 1.00 0.00 H new ATOM 1049 N GLY A 67 21.296 3.079 2.345 1.00 0.00 N ATOM 1050 CA GLY A 67 22.601 2.683 1.742 1.00 0.00 C ATOM 1051 C GLY A 67 22.810 1.150 1.747 1.00 0.00 C ATOM 1052 O GLY A 67 23.868 0.636 1.352 1.00 0.00 O ATOM 0 H GLY A 67 21.348 3.272 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 67 22.652 3.051 0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 67 23.412 3.160 2.292 1.00 0.00 H new ATOM 1056 N GLU A 68 21.750 0.458 2.180 1.00 0.00 N ATOM 1057 CA GLU A 68 21.622 -1.005 2.279 1.00 0.00 C ATOM 1058 C GLU A 68 20.170 -1.238 1.866 1.00 0.00 C ATOM 1059 O GLU A 68 19.281 -0.926 2.655 1.00 0.00 O ATOM 1060 CB GLU A 68 21.876 -1.509 3.745 1.00 0.00 C ATOM 1061 CG GLU A 68 23.245 -1.132 4.338 1.00 0.00 C ATOM 1062 CD GLU A 68 23.359 -1.483 5.829 1.00 0.00 C ATOM 1063 OE1 GLU A 68 23.754 -2.626 6.151 1.00 0.00 O ATOM 1064 OE2 GLU A 68 23.020 -0.634 6.688 1.00 0.00 O ATOM 0 H GLU A 68 20.903 0.933 2.491 1.00 0.00 H new ATOM 0 HA GLU A 68 22.345 -1.542 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.095 -1.108 4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 68 21.777 -2.594 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 68 24.031 -1.648 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.412 -0.063 4.206 1.00 0.00 H new ATOM 1071 N ASP A 69 19.898 -1.765 0.652 1.00 0.00 N ATOM 1072 CA ASP A 69 18.630 -1.447 -0.048 1.00 0.00 C ATOM 1073 C ASP A 69 17.441 -2.187 0.587 1.00 0.00 C ATOM 1074 O ASP A 69 17.120 -3.323 0.221 1.00 0.00 O ATOM 1075 CB ASP A 69 18.729 -1.771 -1.562 1.00 0.00 C ATOM 1076 CG ASP A 69 17.516 -1.230 -2.348 1.00 0.00 C ATOM 1077 OD1 ASP A 69 17.418 0.002 -2.500 1.00 0.00 O ATOM 1078 OD2 ASP A 69 16.660 -2.024 -2.801 1.00 0.00 O ATOM 0 H ASP A 69 20.519 -2.396 0.146 1.00 0.00 H new ATOM 0 HA ASP A 69 18.458 -0.376 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.645 -1.340 -1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.798 -2.850 -1.698 1.00 0.00 H new ATOM 1083 N PHE A 70 16.843 -1.547 1.590 1.00 0.00 N ATOM 1084 CA PHE A 70 15.672 -2.045 2.304 1.00 0.00 C ATOM 1085 C PHE A 70 14.512 -1.092 2.069 1.00 0.00 C ATOM 1086 O PHE A 70 14.697 0.121 2.100 1.00 0.00 O ATOM 1087 CB PHE A 70 15.972 -2.140 3.819 1.00 0.00 C ATOM 1088 CG PHE A 70 16.923 -3.262 4.210 1.00 0.00 C ATOM 1089 CD1 PHE A 70 16.572 -4.594 3.991 1.00 0.00 C ATOM 1090 CD2 PHE A 70 18.143 -2.997 4.821 1.00 0.00 C ATOM 1091 CE1 PHE A 70 17.409 -5.619 4.370 1.00 0.00 C ATOM 1092 CE2 PHE A 70 18.982 -4.023 5.193 1.00 0.00 C ATOM 1093 CZ PHE A 70 18.616 -5.334 4.970 1.00 0.00 C ATOM 0 H PHE A 70 17.169 -0.645 1.936 1.00 0.00 H new ATOM 0 HA PHE A 70 15.417 -3.039 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 70 16.394 -1.192 4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 70 15.032 -2.276 4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.629 -4.825 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 70 18.436 -1.974 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 70 17.120 -6.645 4.197 1.00 0.00 H new ATOM 0 HE2 PHE A 70 19.930 -3.801 5.661 1.00 0.00 H new ATOM 0 HZ PHE A 70 19.275 -6.137 5.266 1.00 0.00 H new ATOM 1103 N LEU A 71 13.325 -1.649 1.844 1.00 0.00 N ATOM 1104 CA LEU A 71 12.087 -0.888 1.723 1.00 0.00 C ATOM 1105 C LEU A 71 11.409 -0.903 3.098 1.00 0.00 C ATOM 1106 O LEU A 71 10.873 -1.929 3.526 1.00 0.00 O ATOM 1107 CB LEU A 71 11.176 -1.531 0.631 1.00 0.00 C ATOM 1108 CG LEU A 71 11.579 -1.302 -0.869 1.00 0.00 C ATOM 1109 CD1 LEU A 71 12.917 -1.984 -1.251 1.00 0.00 C ATOM 1110 CD2 LEU A 71 10.439 -1.754 -1.813 1.00 0.00 C ATOM 0 H LEU A 71 13.195 -2.655 1.739 1.00 0.00 H new ATOM 0 HA LEU A 71 12.280 0.140 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.141 -2.606 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.164 -1.152 0.770 1.00 0.00 H new ATOM 0 HG LEU A 71 11.738 -0.230 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.139 -1.788 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.719 -1.585 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.836 -3.059 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.736 -1.588 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.238 -2.814 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.539 -1.179 -1.597 1.00 0.00 H new ATOM 1122 N ALA A 72 11.448 0.251 3.771 1.00 0.00 N ATOM 1123 CA ALA A 72 11.016 0.401 5.165 1.00 0.00 C ATOM 1124 C ALA A 72 9.656 1.110 5.220 1.00 0.00 C ATOM 1125 O ALA A 72 9.547 2.301 4.900 1.00 0.00 O ATOM 1126 CB ALA A 72 12.084 1.172 5.961 1.00 0.00 C ATOM 0 H ALA A 72 11.785 1.120 3.357 1.00 0.00 H new ATOM 0 HA ALA A 72 10.899 -0.583 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.759 1.281 6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.026 0.624 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.225 2.158 5.519 1.00 0.00 H new ATOM 1132 N VAL A 73 8.627 0.360 5.647 1.00 0.00 N ATOM 1133 CA VAL A 73 7.231 0.836 5.666 1.00 0.00 C ATOM 1134 C VAL A 73 6.839 1.237 7.102 1.00 0.00 C ATOM 1135 O VAL A 73 7.270 0.610 8.078 1.00 0.00 O ATOM 1136 CB VAL A 73 6.226 -0.242 5.117 1.00 0.00 C ATOM 1137 CG1 VAL A 73 4.810 0.369 4.871 1.00 0.00 C ATOM 1138 CG2 VAL A 73 6.788 -0.927 3.845 1.00 0.00 C ATOM 0 H VAL A 73 8.738 -0.594 5.989 1.00 0.00 H new ATOM 0 HA VAL A 73 7.170 1.702 5.007 1.00 0.00 H new ATOM 0 HB VAL A 73 6.111 -1.012 5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.141 -0.404 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.416 0.763 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.883 1.175 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.074 -1.668 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.954 -0.177 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.732 -1.418 4.083 1.00 0.00 H new ATOM 1148 N GLN A 74 6.011 2.288 7.214 1.00 0.00 N ATOM 1149 CA GLN A 74 5.546 2.818 8.503 1.00 0.00 C ATOM 1150 C GLN A 74 4.027 2.578 8.575 1.00 0.00 C ATOM 1151 O GLN A 74 3.228 3.420 8.167 1.00 0.00 O ATOM 1152 CB GLN A 74 5.932 4.327 8.680 1.00 0.00 C ATOM 1153 CG GLN A 74 5.898 5.194 7.388 1.00 0.00 C ATOM 1154 CD GLN A 74 7.232 5.272 6.608 1.00 0.00 C ATOM 1155 OE1 GLN A 74 7.500 6.266 5.943 1.00 0.00 O ATOM 1156 NE2 GLN A 74 8.086 4.253 6.702 1.00 0.00 N ATOM 0 H GLN A 74 5.644 2.795 6.409 1.00 0.00 H new ATOM 0 HA GLN A 74 6.035 2.304 9.330 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.256 4.772 9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.936 4.378 9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.131 4.797 6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.594 6.206 7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.844 3.435 7.261 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.982 4.292 6.215 1.00 0.00 H new ATOM 1165 N THR A 75 3.665 1.383 9.056 1.00 0.00 N ATOM 1166 CA THR A 75 2.266 0.942 9.200 1.00 0.00 C ATOM 1167 C THR A 75 1.644 1.519 10.483 1.00 0.00 C ATOM 1168 O THR A 75 0.585 2.165 10.443 1.00 0.00 O ATOM 1169 CB THR A 75 2.183 -0.623 9.191 1.00 0.00 C ATOM 1170 OG1 THR A 75 3.270 -1.165 9.970 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.225 -1.198 7.768 1.00 0.00 C ATOM 0 H THR A 75 4.342 0.683 9.361 1.00 0.00 H new ATOM 0 HA THR A 75 1.695 1.319 8.351 1.00 0.00 H new ATOM 0 HB THR A 75 1.226 -0.908 9.629 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.969 -1.975 10.433 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.165 -2.285 7.813 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.383 -0.811 7.194 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.157 -0.906 7.285 1.00 0.00 H new ATOM 1179 N SER A 76 2.331 1.296 11.609 1.00 0.00 N ATOM 1180 CA SER A 76 1.921 1.806 12.931 1.00 0.00 C ATOM 1181 C SER A 76 3.067 2.584 13.586 1.00 0.00 C ATOM 1182 O SER A 76 4.216 2.541 13.123 1.00 0.00 O ATOM 1183 CB SER A 76 1.482 0.637 13.840 1.00 0.00 C ATOM 1184 OG SER A 76 0.511 -0.170 13.210 1.00 0.00 O ATOM 0 H SER A 76 3.194 0.753 11.633 1.00 0.00 H new ATOM 0 HA SER A 76 1.077 2.483 12.795 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.350 0.030 14.098 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.080 1.031 14.773 1.00 0.00 H new ATOM 0 HG SER A 76 0.255 -0.902 13.809 1.00 0.00 H new ATOM 1190 N GLN A 77 2.737 3.285 14.686 1.00 0.00 N ATOM 1191 CA GLN A 77 3.694 4.090 15.449 1.00 0.00 C ATOM 1192 C GLN A 77 4.404 3.253 16.530 1.00 0.00 C ATOM 1193 O GLN A 77 5.294 3.766 17.215 1.00 0.00 O ATOM 1194 CB GLN A 77 2.974 5.306 16.094 1.00 0.00 C ATOM 1195 CG GLN A 77 2.255 6.235 15.088 1.00 0.00 C ATOM 1196 CD GLN A 77 1.696 7.512 15.729 1.00 0.00 C ATOM 1197 OE1 GLN A 77 2.375 8.540 15.787 1.00 0.00 O ATOM 1198 NE2 GLN A 77 0.466 7.447 16.229 1.00 0.00 N ATOM 0 H GLN A 77 1.792 3.306 15.069 1.00 0.00 H new ATOM 0 HA GLN A 77 4.455 4.450 14.757 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.244 4.939 16.815 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.706 5.892 16.651 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.952 6.510 14.297 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.439 5.686 14.618 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.066 6.579 16.163 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.054 8.265 16.679 1.00 0.00 H new ATOM 1207 N GLY A 78 4.025 1.967 16.684 1.00 0.00 N ATOM 1208 CA GLY A 78 4.595 1.112 17.726 1.00 0.00 C ATOM 1209 C GLY A 78 4.695 -0.352 17.310 1.00 0.00 C ATOM 1210 O GLY A 78 4.432 -1.255 18.114 1.00 0.00 O ATOM 0 H GLY A 78 3.329 1.507 16.098 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.588 1.479 17.985 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.983 1.187 18.625 1.00 0.00 H new ATOM 1214 N VAL A 79 5.063 -0.590 16.043 1.00 0.00 N ATOM 1215 CA VAL A 79 5.378 -1.942 15.516 1.00 0.00 C ATOM 1216 C VAL A 79 6.830 -1.948 14.998 1.00 0.00 C ATOM 1217 O VAL A 79 7.324 -0.895 14.583 1.00 0.00 O ATOM 1218 CB VAL A 79 4.408 -2.401 14.347 1.00 0.00 C ATOM 1219 CG1 VAL A 79 2.956 -2.580 14.852 1.00 0.00 C ATOM 1220 CG2 VAL A 79 4.473 -1.445 13.123 1.00 0.00 C ATOM 0 H VAL A 79 5.153 0.148 15.345 1.00 0.00 H new ATOM 0 HA VAL A 79 5.243 -2.647 16.336 1.00 0.00 H new ATOM 0 HB VAL A 79 4.760 -3.375 14.007 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.319 -2.895 14.025 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.934 -3.337 15.635 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.591 -1.634 15.252 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.793 -1.799 12.348 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.182 -0.440 13.430 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.490 -1.424 12.731 1.00 0.00 H new ATOM 1230 N PRO A 80 7.552 -3.112 15.018 1.00 0.00 N ATOM 1231 CA PRO A 80 8.865 -3.227 14.344 1.00 0.00 C ATOM 1232 C PRO A 80 8.714 -3.007 12.816 1.00 0.00 C ATOM 1233 O PRO A 80 7.872 -3.646 12.161 1.00 0.00 O ATOM 1234 CB PRO A 80 9.347 -4.665 14.704 1.00 0.00 C ATOM 1235 CG PRO A 80 8.104 -5.398 15.117 1.00 0.00 C ATOM 1236 CD PRO A 80 7.183 -4.368 15.726 1.00 0.00 C ATOM 0 HA PRO A 80 9.587 -2.475 14.664 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.824 -5.147 13.851 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.080 -4.645 15.510 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.634 -5.880 14.259 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.337 -6.184 15.836 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.135 -4.624 15.570 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.333 -4.281 16.802 1.00 0.00 H new ATOM 1244 N VAL A 81 9.512 -2.067 12.276 1.00 0.00 N ATOM 1245 CA VAL A 81 9.466 -1.679 10.854 1.00 0.00 C ATOM 1246 C VAL A 81 9.992 -2.844 10.001 1.00 0.00 C ATOM 1247 O VAL A 81 11.092 -3.356 10.253 1.00 0.00 O ATOM 1248 CB VAL A 81 10.291 -0.363 10.578 1.00 0.00 C ATOM 1249 CG1 VAL A 81 10.402 -0.057 9.057 1.00 0.00 C ATOM 1250 CG2 VAL A 81 9.669 0.841 11.338 1.00 0.00 C ATOM 0 H VAL A 81 10.209 -1.554 12.816 1.00 0.00 H new ATOM 0 HA VAL A 81 8.432 -1.463 10.584 1.00 0.00 H new ATOM 0 HB VAL A 81 11.302 -0.526 10.950 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.978 0.857 8.911 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.902 -0.885 8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.404 0.072 8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.252 1.740 11.135 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.642 0.991 11.004 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.676 0.638 12.409 1.00 0.00 H new ATOM 1260 N ARG A 82 9.202 -3.250 9.001 1.00 0.00 N ATOM 1261 CA ARG A 82 9.471 -4.449 8.206 1.00 0.00 C ATOM 1262 C ARG A 82 10.151 -4.018 6.903 1.00 0.00 C ATOM 1263 O ARG A 82 9.583 -3.243 6.127 1.00 0.00 O ATOM 1264 CB ARG A 82 8.137 -5.208 7.952 1.00 0.00 C ATOM 1265 CG ARG A 82 8.290 -6.711 7.614 1.00 0.00 C ATOM 1266 CD ARG A 82 6.956 -7.465 7.712 1.00 0.00 C ATOM 1267 NE ARG A 82 6.321 -7.280 9.042 1.00 0.00 N ATOM 1268 CZ ARG A 82 5.539 -8.167 9.666 1.00 0.00 C ATOM 1269 NH1 ARG A 82 5.331 -9.369 9.149 1.00 0.00 N ATOM 1270 NH2 ARG A 82 4.988 -7.846 10.825 1.00 0.00 N ATOM 0 H ARG A 82 8.356 -2.754 8.721 1.00 0.00 H new ATOM 0 HA ARG A 82 10.138 -5.133 8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.509 -5.113 8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.609 -4.719 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.692 -6.816 6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.012 -7.163 8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.280 -7.113 6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.123 -8.527 7.532 1.00 0.00 H new ATOM 0 HE ARG A 82 6.497 -6.397 9.522 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.770 -9.627 8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.732 -10.037 9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.161 -6.928 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.390 -8.516 11.308 1.00 0.00 H new ATOM 1284 N ARG A 83 11.389 -4.488 6.706 1.00 0.00 N ATOM 1285 CA ARG A 83 12.253 -4.088 5.584 1.00 0.00 C ATOM 1286 C ARG A 83 12.198 -5.140 4.474 1.00 0.00 C ATOM 1287 O ARG A 83 12.427 -6.323 4.736 1.00 0.00 O ATOM 1288 CB ARG A 83 13.703 -3.947 6.092 1.00 0.00 C ATOM 1289 CG ARG A 83 13.912 -2.872 7.177 1.00 0.00 C ATOM 1290 CD ARG A 83 15.362 -2.840 7.691 1.00 0.00 C ATOM 1291 NE ARG A 83 15.752 -4.101 8.345 1.00 0.00 N ATOM 1292 CZ ARG A 83 17.000 -4.435 8.718 1.00 0.00 C ATOM 1293 NH1 ARG A 83 18.039 -3.650 8.451 1.00 0.00 N ATOM 1294 NH2 ARG A 83 17.206 -5.572 9.343 1.00 0.00 N ATOM 0 H ARG A 83 11.827 -5.167 7.329 1.00 0.00 H new ATOM 0 HA ARG A 83 11.906 -3.136 5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.028 -4.909 6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.348 -3.716 5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.650 -1.894 6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.237 -3.064 8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.036 -2.642 6.858 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.477 -2.017 8.396 1.00 0.00 H new ATOM 0 HE ARG A 83 15.012 -4.778 8.531 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.899 -2.771 7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.976 -3.926 8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.422 -6.194 9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.150 -5.833 9.629 1.00 0.00 H new ATOM 1308 N PHE A 84 11.898 -4.712 3.245 1.00 0.00 N ATOM 1309 CA PHE A 84 11.715 -5.615 2.093 1.00 0.00 C ATOM 1310 C PHE A 84 12.858 -5.481 1.077 1.00 0.00 C ATOM 1311 O PHE A 84 13.435 -4.409 0.922 1.00 0.00 O ATOM 1312 CB PHE A 84 10.356 -5.286 1.439 1.00 0.00 C ATOM 1313 CG PHE A 84 9.196 -5.398 2.419 1.00 0.00 C ATOM 1314 CD1 PHE A 84 8.770 -6.646 2.855 1.00 0.00 C ATOM 1315 CD2 PHE A 84 8.548 -4.272 2.917 1.00 0.00 C ATOM 1316 CE1 PHE A 84 7.737 -6.765 3.748 1.00 0.00 C ATOM 1317 CE2 PHE A 84 7.509 -4.400 3.815 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.106 -5.649 4.227 1.00 0.00 C ATOM 0 H PHE A 84 11.774 -3.726 3.014 1.00 0.00 H new ATOM 0 HA PHE A 84 11.728 -6.649 2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.387 -4.275 1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.186 -5.962 0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.259 -7.535 2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.861 -3.289 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.419 -7.744 4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.012 -3.520 4.195 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.291 -5.749 4.929 1.00 0.00 H new ATOM 1328 N GLN A 85 13.189 -6.592 0.411 1.00 0.00 N ATOM 1329 CA GLN A 85 14.165 -6.612 -0.694 1.00 0.00 C ATOM 1330 C GLN A 85 13.568 -5.942 -1.949 1.00 0.00 C ATOM 1331 O GLN A 85 14.252 -5.209 -2.667 1.00 0.00 O ATOM 1332 CB GLN A 85 14.575 -8.078 -0.982 1.00 0.00 C ATOM 1333 CG GLN A 85 15.746 -8.244 -1.976 1.00 0.00 C ATOM 1334 CD GLN A 85 16.296 -9.670 -2.031 1.00 0.00 C ATOM 1335 OE1 GLN A 85 15.862 -10.494 -2.833 1.00 0.00 O ATOM 1336 NE2 GLN A 85 17.246 -9.974 -1.159 1.00 0.00 N ATOM 0 H GLN A 85 12.789 -7.507 0.620 1.00 0.00 H new ATOM 0 HA GLN A 85 15.053 -6.047 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 85 14.847 -8.555 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 85 13.708 -8.612 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.412 -7.952 -2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.550 -7.563 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 85 17.585 -9.267 -0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 85 17.639 -10.915 -1.140 1.00 0.00 H new ATOM 1345 N THR A 86 12.270 -6.197 -2.168 1.00 0.00 N ATOM 1346 CA THR A 86 11.513 -5.660 -3.318 1.00 0.00 C ATOM 1347 C THR A 86 10.054 -5.384 -2.924 1.00 0.00 C ATOM 1348 O THR A 86 9.602 -5.770 -1.833 1.00 0.00 O ATOM 1349 CB THR A 86 11.576 -6.639 -4.547 1.00 0.00 C ATOM 1350 OG1 THR A 86 10.826 -6.119 -5.661 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.060 -8.048 -4.206 1.00 0.00 C ATOM 0 H THR A 86 11.709 -6.784 -1.551 1.00 0.00 H new ATOM 0 HA THR A 86 11.977 -4.719 -3.613 1.00 0.00 H new ATOM 0 HB THR A 86 12.629 -6.719 -4.817 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.882 -6.744 -6.413 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.126 -8.683 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.667 -8.474 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.022 -7.986 -3.880 1.00 0.00 H new ATOM 1359 N LEU A 87 9.338 -4.692 -3.826 1.00 0.00 N ATOM 1360 CA LEU A 87 7.891 -4.433 -3.693 1.00 0.00 C ATOM 1361 C LEU A 87 7.110 -5.774 -3.706 1.00 0.00 C ATOM 1362 O LEU A 87 6.046 -5.881 -3.100 1.00 0.00 O ATOM 1363 CB LEU A 87 7.380 -3.460 -4.816 1.00 0.00 C ATOM 1364 CG LEU A 87 6.448 -2.294 -4.343 1.00 0.00 C ATOM 1365 CD1 LEU A 87 5.199 -2.813 -3.618 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.211 -1.296 -3.461 1.00 0.00 C ATOM 0 H LEU A 87 9.746 -4.294 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 87 7.713 -3.939 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.247 -3.026 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.844 -4.047 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 87 6.113 -1.773 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.582 -1.970 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.628 -3.453 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.499 -3.385 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.538 -0.498 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.598 -1.810 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.040 -0.870 -4.027 1.00 0.00 H new ATOM 1378 N GLY A 88 7.661 -6.785 -4.409 1.00 0.00 N ATOM 1379 CA GLY A 88 7.138 -8.157 -4.355 1.00 0.00 C ATOM 1380 C GLY A 88 7.054 -8.724 -2.938 1.00 0.00 C ATOM 1381 O GLY A 88 6.067 -9.381 -2.580 1.00 0.00 O ATOM 0 H GLY A 88 8.469 -6.672 -5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.145 -8.177 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.774 -8.804 -4.959 1.00 0.00 H new ATOM 1385 N GLU A 89 8.098 -8.450 -2.130 1.00 0.00 N ATOM 1386 CA GLU A 89 8.152 -8.841 -0.710 1.00 0.00 C ATOM 1387 C GLU A 89 7.116 -8.055 0.108 1.00 0.00 C ATOM 1388 O GLU A 89 6.485 -8.603 1.014 1.00 0.00 O ATOM 1389 CB GLU A 89 9.565 -8.583 -0.116 1.00 0.00 C ATOM 1390 CG GLU A 89 10.698 -9.384 -0.762 1.00 0.00 C ATOM 1391 CD GLU A 89 10.467 -10.895 -0.688 1.00 0.00 C ATOM 1392 OE1 GLU A 89 10.505 -11.450 0.428 1.00 0.00 O ATOM 1393 OE2 GLU A 89 10.237 -11.537 -1.736 1.00 0.00 O ATOM 0 H GLU A 89 8.929 -7.950 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 89 7.928 -9.906 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.793 -7.521 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.541 -8.811 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.799 -9.086 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.638 -9.139 -0.268 1.00 0.00 H new ATOM 1400 N LEU A 90 6.979 -6.760 -0.228 1.00 0.00 N ATOM 1401 CA LEU A 90 6.065 -5.832 0.465 1.00 0.00 C ATOM 1402 C LEU A 90 4.622 -6.361 0.408 1.00 0.00 C ATOM 1403 O LEU A 90 3.990 -6.565 1.443 1.00 0.00 O ATOM 1404 CB LEU A 90 6.206 -4.413 -0.164 1.00 0.00 C ATOM 1405 CG LEU A 90 5.601 -3.192 0.620 1.00 0.00 C ATOM 1406 CD1 LEU A 90 6.258 -1.878 0.159 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.061 -3.086 0.491 1.00 0.00 C ATOM 0 H LEU A 90 7.500 -6.326 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 90 6.330 -5.760 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.268 -4.219 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.743 -4.438 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 90 5.819 -3.366 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.828 -1.043 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.331 -1.923 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.081 -1.737 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.707 -2.223 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.791 -2.969 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.600 -3.991 0.886 1.00 0.00 H new ATOM 1419 N ILE A 91 4.153 -6.624 -0.822 1.00 0.00 N ATOM 1420 CA ILE A 91 2.802 -7.164 -1.085 1.00 0.00 C ATOM 1421 C ILE A 91 2.680 -8.600 -0.525 1.00 0.00 C ATOM 1422 O ILE A 91 1.614 -8.999 -0.039 1.00 0.00 O ATOM 1423 CB ILE A 91 2.494 -7.136 -2.631 1.00 0.00 C ATOM 1424 CG1 ILE A 91 2.758 -5.711 -3.232 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.052 -7.614 -2.940 1.00 0.00 C ATOM 1426 CD1 ILE A 91 1.980 -4.570 -2.607 1.00 0.00 C ATOM 0 H ILE A 91 4.700 -6.469 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 91 2.068 -6.537 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 91 3.177 -7.837 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.822 -5.492 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.529 -5.740 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.880 -7.580 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.924 -8.636 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.337 -6.963 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.244 -3.636 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.911 -4.752 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.225 -4.500 -1.547 1.00 0.00 H new ATOM 1438 N GLY A 92 3.801 -9.348 -0.584 1.00 0.00 N ATOM 1439 CA GLY A 92 3.888 -10.710 -0.055 1.00 0.00 C ATOM 1440 C GLY A 92 3.535 -10.815 1.430 1.00 0.00 C ATOM 1441 O GLY A 92 2.626 -11.574 1.806 1.00 0.00 O ATOM 0 H GLY A 92 4.670 -9.016 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.220 -11.355 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.900 -11.086 -0.207 1.00 0.00 H new ATOM 1445 N LEU A 93 4.250 -10.058 2.268 1.00 0.00 N ATOM 1446 CA LEU A 93 4.023 -10.033 3.724 1.00 0.00 C ATOM 1447 C LEU A 93 2.700 -9.338 4.062 1.00 0.00 C ATOM 1448 O LEU A 93 1.975 -9.780 4.950 1.00 0.00 O ATOM 1449 CB LEU A 93 5.205 -9.326 4.467 1.00 0.00 C ATOM 1450 CG LEU A 93 6.477 -10.187 4.768 1.00 0.00 C ATOM 1451 CD1 LEU A 93 6.133 -11.403 5.643 1.00 0.00 C ATOM 1452 CD2 LEU A 93 7.218 -10.594 3.482 1.00 0.00 C ATOM 0 H LEU A 93 5.004 -9.444 1.960 1.00 0.00 H new ATOM 0 HA LEU A 93 3.970 -11.067 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.512 -8.466 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.827 -8.940 5.413 1.00 0.00 H new ATOM 0 HG LEU A 93 7.165 -9.561 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.037 -11.981 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.712 -11.063 6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 93 5.405 -12.029 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.094 -11.190 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.553 -11.181 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.533 -9.699 2.945 1.00 0.00 H new ATOM 1464 N TYR A 94 2.394 -8.249 3.352 1.00 0.00 N ATOM 1465 CA TYR A 94 1.224 -7.408 3.660 1.00 0.00 C ATOM 1466 C TYR A 94 -0.096 -8.010 3.159 1.00 0.00 C ATOM 1467 O TYR A 94 -1.167 -7.507 3.493 1.00 0.00 O ATOM 1468 CB TYR A 94 1.464 -5.962 3.154 1.00 0.00 C ATOM 1469 CG TYR A 94 2.418 -5.120 4.031 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.258 -5.707 4.989 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.451 -3.730 3.925 1.00 0.00 C ATOM 1472 CE1 TYR A 94 4.080 -4.947 5.790 1.00 0.00 C ATOM 1473 CE2 TYR A 94 3.277 -2.969 4.730 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.085 -3.584 5.661 1.00 0.00 C ATOM 1475 OH TYR A 94 4.908 -2.834 6.468 1.00 0.00 O ATOM 0 H TYR A 94 2.941 -7.924 2.555 1.00 0.00 H new ATOM 0 HA TYR A 94 1.112 -7.370 4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.868 -6.008 2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.504 -5.450 3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.260 -6.781 5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.819 -3.239 3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.719 -5.424 6.518 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.289 -1.894 4.629 1.00 0.00 H new ATOM 0 HH TYR A 94 5.706 -3.355 6.697 1.00 0.00 H new ATOM 1485 N ALA A 95 -0.022 -9.112 2.393 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.194 -9.968 2.120 1.00 0.00 C ATOM 1487 C ALA A 95 -1.719 -10.651 3.417 1.00 0.00 C ATOM 1488 O ALA A 95 -2.826 -11.194 3.436 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.836 -11.004 1.048 1.00 0.00 C ATOM 0 H ALA A 95 0.839 -9.433 1.950 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.003 -9.341 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.702 -11.635 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.540 -10.492 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.011 -11.622 1.401 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.897 -10.606 4.488 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.262 -11.069 5.842 1.00 0.00 C ATOM 1497 C GLN A 96 -1.832 -9.888 6.663 1.00 0.00 C ATOM 1498 O GLN A 96 -1.320 -8.771 6.561 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.026 -11.678 6.568 1.00 0.00 C ATOM 1500 CG GLN A 96 0.589 -12.910 5.875 1.00 0.00 C ATOM 1501 CD GLN A 96 -0.401 -14.065 5.731 1.00 0.00 C ATOM 1502 OE1 GLN A 96 -0.544 -14.888 6.636 1.00 0.00 O ATOM 1503 NE2 GLN A 96 -1.081 -14.145 4.590 1.00 0.00 N ATOM 0 H GLN A 96 0.054 -10.241 4.434 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.022 -11.845 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.741 -10.908 6.657 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.318 -11.956 7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.951 -12.623 4.888 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.454 -13.248 6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.938 -13.446 3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.745 -14.905 4.444 1.00 0.00 H new ATOM 1512 N PRO A 97 -2.937 -10.099 7.446 1.00 0.00 N ATOM 1513 CA PRO A 97 -3.499 -9.058 8.350 1.00 0.00 C ATOM 1514 C PRO A 97 -2.695 -8.864 9.662 1.00 0.00 C ATOM 1515 O PRO A 97 -1.732 -9.594 9.930 1.00 0.00 O ATOM 1516 CB PRO A 97 -4.932 -9.588 8.615 1.00 0.00 C ATOM 1517 CG PRO A 97 -4.804 -11.078 8.535 1.00 0.00 C ATOM 1518 CD PRO A 97 -3.762 -11.343 7.468 1.00 0.00 C ATOM 0 HA PRO A 97 -3.468 -8.063 7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.297 -9.273 9.593 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.638 -9.210 7.875 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.498 -11.497 9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.757 -11.539 8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.158 -12.217 7.710 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.223 -11.532 6.499 1.00 0.00 H new ATOM 1526 N ASN A 98 -3.131 -7.854 10.446 1.00 0.00 N ATOM 1527 CA ASN A 98 -2.546 -7.472 11.754 1.00 0.00 C ATOM 1528 C ASN A 98 -1.051 -7.093 11.638 1.00 0.00 C ATOM 1529 O ASN A 98 -0.162 -7.875 12.001 1.00 0.00 O ATOM 1530 CB ASN A 98 -2.801 -8.571 12.835 1.00 0.00 C ATOM 1531 CG ASN A 98 -2.436 -8.133 14.257 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -3.259 -7.557 14.972 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -1.214 -8.408 14.677 1.00 0.00 N ATOM 0 H ASN A 98 -3.921 -7.265 10.181 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.061 -6.571 12.088 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -3.853 -8.855 12.811 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.225 -9.460 12.579 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.927 -8.142 15.619 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.558 -8.886 14.059 1.00 0.00 H new ATOM 1540 N GLN A 99 -0.794 -5.902 11.053 1.00 0.00 N ATOM 1541 CA GLN A 99 0.560 -5.290 10.953 1.00 0.00 C ATOM 1542 C GLN A 99 0.491 -3.756 11.140 1.00 0.00 C ATOM 1543 O GLN A 99 1.521 -3.112 11.359 1.00 0.00 O ATOM 1544 CB GLN A 99 1.218 -5.627 9.573 1.00 0.00 C ATOM 1545 CG GLN A 99 1.513 -7.125 9.349 1.00 0.00 C ATOM 1546 CD GLN A 99 2.064 -7.442 7.968 1.00 0.00 C ATOM 1547 OE1 GLN A 99 3.272 -7.451 7.743 1.00 0.00 O ATOM 1548 NE2 GLN A 99 1.188 -7.698 7.026 1.00 0.00 N ATOM 0 H GLN A 99 -1.525 -5.329 10.631 1.00 0.00 H new ATOM 0 HA GLN A 99 1.173 -5.710 11.750 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.561 -5.277 8.777 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.151 -5.070 9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.227 -7.462 10.101 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.596 -7.693 9.503 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.191 -7.684 7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.504 -7.911 6.080 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.736 -3.190 11.084 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.964 -1.729 11.012 1.00 0.00 C ATOM 1559 C GLY A 100 -1.771 -1.335 9.773 1.00 0.00 C ATOM 1560 O GLY A 100 -2.086 -0.160 9.557 1.00 0.00 O ATOM 0 H GLY A 100 -1.598 -3.735 11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.491 -1.400 11.908 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.004 -1.213 10.999 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.075 -2.351 8.959 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.898 -2.236 7.742 1.00 0.00 C ATOM 1566 C LEU A 101 -4.391 -2.077 8.094 1.00 0.00 C ATOM 1567 O LEU A 101 -4.795 -2.266 9.251 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.675 -3.484 6.852 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.216 -3.675 6.336 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.052 -5.032 5.640 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -0.794 -2.508 5.405 1.00 0.00 C ATOM 0 H LEU A 101 -1.749 -3.302 9.129 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.594 -1.344 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.963 -4.370 7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.343 -3.423 5.993 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.551 -3.663 7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.025 -5.140 5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.281 -5.832 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.733 -5.090 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.228 -2.668 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.464 -2.467 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.849 -1.567 5.953 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.194 -1.722 7.083 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.655 -1.595 7.231 1.00 0.00 C ATOM 1585 C VAL A 102 -7.311 -2.988 7.492 1.00 0.00 C ATOM 1586 O VAL A 102 -8.097 -3.140 8.436 1.00 0.00 O ATOM 1587 CB VAL A 102 -7.305 -0.875 5.986 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.895 0.623 5.919 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -6.950 -1.598 4.667 1.00 0.00 C ATOM 0 H VAL A 102 -4.855 -1.515 6.144 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.847 -0.966 8.101 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.386 -0.922 6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.360 1.089 5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -7.226 1.132 6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.811 0.700 5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.414 -1.076 3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.868 -1.605 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.318 -2.623 4.704 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.930 -4.001 6.666 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.424 -5.401 6.771 1.00 0.00 C ATOM 1601 C CYS A 103 -6.657 -6.299 5.772 1.00 0.00 C ATOM 1602 O CYS A 103 -7.248 -7.177 5.126 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.954 -5.471 6.524 1.00 0.00 C ATOM 1604 SG CYS A 103 -9.694 -7.104 6.791 1.00 0.00 S ATOM 0 H CYS A 103 -6.266 -3.867 5.903 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.241 -5.765 7.782 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.447 -4.753 7.180 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.157 -5.159 5.500 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.985 -8.007 6.181 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.326 -6.041 5.664 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.385 -6.762 4.764 1.00 0.00 C ATOM 1612 C ALA A 104 -4.511 -6.269 3.310 1.00 0.00 C ATOM 1613 O ALA A 104 -5.252 -5.321 3.022 1.00 0.00 O ATOM 1614 CB ALA A 104 -4.534 -8.307 4.847 1.00 0.00 C ATOM 0 H ALA A 104 -4.868 -5.312 6.211 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.381 -6.527 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.822 -8.778 4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.337 -8.637 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.548 -8.591 4.563 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.732 -6.894 2.411 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.775 -6.642 0.967 1.00 0.00 C ATOM 1622 C LEU A 105 -4.482 -7.831 0.300 1.00 0.00 C ATOM 1623 O LEU A 105 -3.880 -8.896 0.110 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.333 -6.441 0.404 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.492 -5.272 1.022 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -0.232 -4.983 0.183 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.325 -3.996 1.240 1.00 0.00 C ATOM 0 H LEU A 105 -3.044 -7.600 2.675 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.327 -5.726 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.780 -7.370 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.408 -6.275 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.170 -5.607 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.329 -4.167 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.392 -5.876 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.525 -4.701 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.694 -3.218 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.723 -3.654 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.149 -4.211 1.920 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.781 -7.647 -0.008 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.679 -8.727 -0.492 1.00 0.00 C ATOM 1641 C LEU A 106 -7.088 -8.500 -1.967 1.00 0.00 C ATOM 1642 O LEU A 106 -7.007 -9.421 -2.787 1.00 0.00 O ATOM 1643 CB LEU A 106 -7.935 -8.894 0.446 1.00 0.00 C ATOM 1644 CG LEU A 106 -8.778 -7.612 0.806 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -10.200 -7.994 1.285 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -8.088 -6.729 1.880 1.00 0.00 C ATOM 0 H LEU A 106 -6.244 -6.742 0.071 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.122 -9.663 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.607 -9.612 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.594 -9.340 1.380 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.851 -7.029 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.758 -7.089 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -10.716 -8.539 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.128 -8.623 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.711 -5.860 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.951 -7.308 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.117 -6.399 1.511 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.536 -7.276 -2.299 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.881 -6.870 -3.684 1.00 0.00 C ATOM 1660 C LEU A 107 -6.859 -5.822 -4.138 1.00 0.00 C ATOM 1661 O LEU A 107 -6.684 -4.840 -3.437 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.319 -6.254 -3.780 1.00 0.00 C ATOM 1663 CG LEU A 107 -10.527 -7.243 -3.832 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.715 -8.028 -2.516 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -11.821 -6.496 -4.244 1.00 0.00 C ATOM 0 H LEU A 107 -7.672 -6.532 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.861 -7.756 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.460 -5.596 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.358 -5.629 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.302 -7.989 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.569 -8.699 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.817 -8.610 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.892 -7.330 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -12.653 -7.200 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.036 -5.712 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.686 -6.050 -5.229 1.00 0.00 H new ATOM 1677 N PRO A 108 -6.130 -6.013 -5.278 1.00 0.00 N ATOM 1678 CA PRO A 108 -5.348 -4.913 -5.880 1.00 0.00 C ATOM 1679 C PRO A 108 -6.305 -3.830 -6.456 1.00 0.00 C ATOM 1680 O PRO A 108 -6.684 -2.902 -5.735 1.00 0.00 O ATOM 1681 CB PRO A 108 -4.455 -5.618 -6.953 1.00 0.00 C ATOM 1682 CG PRO A 108 -4.577 -7.092 -6.659 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.947 -7.275 -6.032 1.00 0.00 C ATOM 0 HA PRO A 108 -4.723 -4.369 -5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.796 -5.388 -7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.419 -5.287 -6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.482 -7.682 -7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.789 -7.422 -5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.722 -7.413 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.980 -8.146 -5.378 1.00 0.00 H new ATOM 1691 N VAL A 109 -6.739 -4.003 -7.715 1.00 0.00 N ATOM 1692 CA VAL A 109 -7.688 -3.102 -8.408 1.00 0.00 C ATOM 1693 C VAL A 109 -8.465 -3.934 -9.454 1.00 0.00 C ATOM 1694 O VAL A 109 -7.817 -4.546 -10.331 1.00 0.00 O ATOM 1695 CB VAL A 109 -6.952 -1.841 -9.058 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -7.757 -1.192 -10.217 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -6.631 -0.761 -7.980 1.00 0.00 C ATOM 1698 OXT VAL A 109 -9.712 -3.988 -9.391 1.00 0.00 O ATOM 0 H VAL A 109 -6.437 -4.786 -8.295 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.390 -2.683 -7.687 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.024 -2.227 -9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.202 -0.342 -10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.912 -1.926 -11.008 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.723 -0.852 -9.843 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.131 0.085 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.558 -0.423 -7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.980 -1.190 -7.218 1.00 0.00 H new