USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 TYR OH : rot 180:sc= -0.263 USER MOD Single : A 20 THR OG1 : rot -140:sc= -0.773 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.658 F(o=-5.1!,f=-0.66) USER MOD Single : A 44 THR OG1 : rot -84:sc= -2.49! USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -0.0237 (180deg=-0.221) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -2:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 156 N PRO A 10 -9.066 6.894 1.071 1.00 0.00 N ATOM 157 CA PRO A 10 -8.907 5.548 1.622 1.00 0.00 C ATOM 158 C PRO A 10 -7.707 5.443 2.560 1.00 0.00 C ATOM 159 O PRO A 10 -7.726 4.667 3.517 1.00 0.00 O ATOM 160 CB PRO A 10 -8.705 4.667 0.385 1.00 0.00 C ATOM 161 CG PRO A 10 -8.201 5.591 -0.669 1.00 0.00 C ATOM 162 CD PRO A 10 -8.801 6.938 -0.377 1.00 0.00 C ATOM 0 HA PRO A 10 -9.765 5.255 2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.991 3.867 0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.639 4.193 0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.112 5.640 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.491 5.244 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.116 7.746 -0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.716 7.101 -0.947 1.00 0.00 H new ATOM 170 N VAL A 11 -6.673 6.234 2.288 1.00 0.00 N ATOM 171 CA VAL A 11 -5.456 6.211 3.089 1.00 0.00 C ATOM 172 C VAL A 11 -4.966 7.628 3.370 1.00 0.00 C ATOM 173 O VAL A 11 -5.278 8.559 2.625 1.00 0.00 O ATOM 174 CB VAL A 11 -4.324 5.420 2.393 1.00 0.00 C ATOM 175 CG1 VAL A 11 -4.680 3.947 2.275 1.00 0.00 C ATOM 176 CG2 VAL A 11 -4.014 6.006 1.021 1.00 0.00 C ATOM 0 H VAL A 11 -6.655 6.900 1.516 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.706 5.713 4.026 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.431 5.506 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.867 3.414 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.837 3.530 3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.592 3.839 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.215 5.432 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.906 5.962 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.699 7.044 1.131 1.00 0.00 H new ATOM 186 N GLU A 12 -4.202 7.781 4.441 1.00 0.00 N ATOM 187 CA GLU A 12 -3.629 9.070 4.801 1.00 0.00 C ATOM 188 C GLU A 12 -2.150 8.918 5.144 1.00 0.00 C ATOM 189 O GLU A 12 -1.680 7.815 5.426 1.00 0.00 O ATOM 190 CB GLU A 12 -4.391 9.679 5.978 1.00 0.00 C ATOM 191 CG GLU A 12 -4.458 8.763 7.185 1.00 0.00 C ATOM 192 CD GLU A 12 -5.197 9.375 8.352 1.00 0.00 C ATOM 193 OE1 GLU A 12 -4.583 10.158 9.106 1.00 0.00 O ATOM 194 OE2 GLU A 12 -6.396 9.069 8.527 1.00 0.00 O ATOM 0 H GLU A 12 -3.963 7.023 5.080 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.717 9.741 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.913 10.615 6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.404 9.924 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.948 7.832 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.445 8.508 7.497 1.00 0.00 H new ATOM 201 N GLU A 13 -1.418 10.025 5.097 1.00 0.00 N ATOM 202 CA GLU A 13 0.018 10.007 5.342 1.00 0.00 C ATOM 203 C GLU A 13 0.351 9.645 6.788 1.00 0.00 C ATOM 204 O GLU A 13 -0.244 10.172 7.730 1.00 0.00 O ATOM 205 CB GLU A 13 0.639 11.355 4.984 1.00 0.00 C ATOM 206 CG GLU A 13 0.435 11.745 3.531 1.00 0.00 C ATOM 207 CD GLU A 13 1.252 12.951 3.132 1.00 0.00 C ATOM 208 OE1 GLU A 13 0.790 14.092 3.349 1.00 0.00 O ATOM 209 OE2 GLU A 13 2.357 12.764 2.593 1.00 0.00 O ATOM 0 H GLU A 13 -1.798 10.949 4.891 1.00 0.00 H new ATOM 0 HA GLU A 13 0.442 9.233 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.209 12.126 5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.707 11.323 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.701 10.903 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.621 11.954 3.360 1.00 0.00 H new ATOM 216 N GLY A 14 1.297 8.728 6.937 1.00 0.00 N ATOM 217 CA GLY A 14 1.817 8.356 8.236 1.00 0.00 C ATOM 218 C GLY A 14 0.896 7.434 8.998 1.00 0.00 C ATOM 219 O GLY A 14 0.805 7.521 10.220 1.00 0.00 O ATOM 0 H GLY A 14 1.722 8.224 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.784 7.870 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.988 9.257 8.824 1.00 0.00 H new ATOM 223 N GLU A 15 0.229 6.537 8.290 1.00 0.00 N ATOM 224 CA GLU A 15 -0.677 5.594 8.938 1.00 0.00 C ATOM 225 C GLU A 15 -0.318 4.170 8.587 1.00 0.00 C ATOM 226 O GLU A 15 0.409 3.924 7.634 1.00 0.00 O ATOM 227 CB GLU A 15 -2.127 5.864 8.555 1.00 0.00 C ATOM 228 CG GLU A 15 -2.733 7.052 9.276 1.00 0.00 C ATOM 229 CD GLU A 15 -2.995 6.763 10.736 1.00 0.00 C ATOM 230 OE1 GLU A 15 -4.040 6.152 11.043 1.00 0.00 O ATOM 231 OE2 GLU A 15 -2.155 7.135 11.580 1.00 0.00 O ATOM 0 H GLU A 15 0.294 6.440 7.277 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.569 5.733 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.185 6.034 7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.722 4.977 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.062 7.907 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.668 7.332 8.790 1.00 0.00 H new ATOM 238 N VAL A 16 -0.854 3.235 9.348 1.00 0.00 N ATOM 239 CA VAL A 16 -0.506 1.833 9.193 1.00 0.00 C ATOM 240 C VAL A 16 -1.744 1.001 8.895 1.00 0.00 C ATOM 241 O VAL A 16 -2.705 0.998 9.663 1.00 0.00 O ATOM 242 CB VAL A 16 0.191 1.273 10.452 1.00 0.00 C ATOM 243 CG1 VAL A 16 0.590 -0.180 10.247 1.00 0.00 C ATOM 244 CG2 VAL A 16 1.407 2.113 10.817 1.00 0.00 C ATOM 0 H VAL A 16 -1.536 3.421 10.084 1.00 0.00 H new ATOM 0 HA VAL A 16 0.189 1.769 8.355 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.518 1.321 11.278 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.079 -0.553 11.147 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.299 -0.776 10.043 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.277 -0.253 9.404 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.881 1.699 11.707 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.117 2.104 9.990 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.095 3.138 11.016 1.00 0.00 H new ATOM 254 N TYR A 17 -1.709 0.294 7.779 1.00 0.00 N ATOM 255 CA TYR A 17 -2.822 -0.546 7.368 1.00 0.00 C ATOM 256 C TYR A 17 -2.333 -1.965 7.115 1.00 0.00 C ATOM 257 O TYR A 17 -1.199 -2.167 6.680 1.00 0.00 O ATOM 258 CB TYR A 17 -3.472 -0.002 6.088 1.00 0.00 C ATOM 259 CG TYR A 17 -3.842 1.464 6.140 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.929 2.438 5.763 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.105 1.872 6.549 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.264 3.777 5.792 1.00 0.00 C ATOM 263 CE2 TYR A 17 -5.445 3.212 6.581 1.00 0.00 C ATOM 264 CZ TYR A 17 -4.520 4.160 6.202 1.00 0.00 C ATOM 265 OH TYR A 17 -4.855 5.495 6.218 1.00 0.00 O ATOM 0 H TYR A 17 -0.916 0.285 7.137 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.562 -0.546 8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.788 -0.161 5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.371 -0.582 5.878 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.941 2.144 5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.833 1.131 6.847 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.542 4.522 5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.431 3.514 6.902 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.778 5.597 6.532 1.00 0.00 H new ATOM 275 N ASP A 18 -3.172 -2.939 7.416 1.00 0.00 N ATOM 276 CA ASP A 18 -2.895 -4.320 7.060 1.00 0.00 C ATOM 277 C ASP A 18 -3.490 -4.614 5.690 1.00 0.00 C ATOM 278 O ASP A 18 -4.677 -4.909 5.554 1.00 0.00 O ATOM 279 CB ASP A 18 -3.430 -5.287 8.131 1.00 0.00 C ATOM 280 CG ASP A 18 -4.879 -5.034 8.513 1.00 0.00 C ATOM 281 OD1 ASP A 18 -5.218 -3.885 8.873 1.00 0.00 O ATOM 282 OD2 ASP A 18 -5.683 -5.989 8.472 1.00 0.00 O ATOM 0 H ASP A 18 -4.054 -2.799 7.908 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.816 -4.470 7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.333 -6.309 7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.809 -5.207 9.023 1.00 0.00 H new ATOM 287 N VAL A 19 -2.656 -4.500 4.671 1.00 0.00 N ATOM 288 CA VAL A 19 -3.116 -4.579 3.293 1.00 0.00 C ATOM 289 C VAL A 19 -2.756 -5.913 2.661 1.00 0.00 C ATOM 290 O VAL A 19 -1.881 -6.628 3.145 1.00 0.00 O ATOM 291 CB VAL A 19 -2.518 -3.448 2.432 1.00 0.00 C ATOM 292 CG1 VAL A 19 -2.889 -2.086 2.995 1.00 0.00 C ATOM 293 CG2 VAL A 19 -1.005 -3.595 2.322 1.00 0.00 C ATOM 0 H VAL A 19 -1.652 -4.352 4.772 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.201 -4.475 3.324 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.940 -3.526 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.456 -1.304 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.974 -1.981 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.504 -1.995 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.604 -2.787 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.562 -3.551 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.765 -4.553 1.860 1.00 0.00 H new ATOM 303 N THR A 20 -3.440 -6.240 1.578 1.00 0.00 N ATOM 304 CA THR A 20 -3.137 -7.433 0.817 1.00 0.00 C ATOM 305 C THR A 20 -2.540 -7.054 -0.532 1.00 0.00 C ATOM 306 O THR A 20 -3.174 -6.349 -1.322 1.00 0.00 O ATOM 307 CB THR A 20 -4.401 -8.284 0.587 1.00 0.00 C ATOM 308 OG1 THR A 20 -5.085 -8.504 1.829 1.00 0.00 O ATOM 309 CG2 THR A 20 -4.044 -9.623 -0.041 1.00 0.00 C ATOM 0 H THR A 20 -4.214 -5.689 1.206 1.00 0.00 H new ATOM 0 HA THR A 20 -2.419 -8.020 1.390 1.00 0.00 H new ATOM 0 HB THR A 20 -5.055 -7.740 -0.094 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.420 -9.425 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.952 -10.207 -0.194 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.554 -9.456 -1.000 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.370 -10.167 0.621 1.00 0.00 H new ATOM 317 N ILE A 21 -1.315 -7.495 -0.786 1.00 0.00 N ATOM 318 CA ILE A 21 -0.683 -7.268 -2.076 1.00 0.00 C ATOM 319 C ILE A 21 -1.385 -8.110 -3.134 1.00 0.00 C ATOM 320 O ILE A 21 -1.241 -9.329 -3.169 1.00 0.00 O ATOM 321 CB ILE A 21 0.822 -7.619 -2.051 1.00 0.00 C ATOM 322 CG1 ILE A 21 1.536 -6.834 -0.944 1.00 0.00 C ATOM 323 CG2 ILE A 21 1.460 -7.334 -3.406 1.00 0.00 C ATOM 324 CD1 ILE A 21 1.447 -5.331 -1.105 1.00 0.00 C ATOM 0 H ILE A 21 -0.742 -8.010 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.772 -6.208 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 21 0.925 -8.684 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.109 -7.113 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.586 -7.126 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.520 -7.587 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.970 -7.934 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.348 -6.277 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.975 -4.845 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.901 -5.039 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.401 -5.025 -1.094 1.00 0.00 H new ATOM 336 N GLN A 22 -2.168 -7.457 -3.973 1.00 0.00 N ATOM 337 CA GLN A 22 -3.001 -8.155 -4.942 1.00 0.00 C ATOM 338 C GLN A 22 -2.336 -8.199 -6.314 1.00 0.00 C ATOM 339 O GLN A 22 -2.643 -9.064 -7.134 1.00 0.00 O ATOM 340 CB GLN A 22 -4.368 -7.466 -5.036 1.00 0.00 C ATOM 341 CG GLN A 22 -5.334 -8.092 -6.040 1.00 0.00 C ATOM 342 CD GLN A 22 -5.934 -9.417 -5.588 1.00 0.00 C ATOM 343 OE1 GLN A 22 -5.188 -10.201 -4.824 1.00 0.00 O flip ATOM 344 NE2 GLN A 22 -7.067 -9.740 -5.938 1.00 0.00 N flip ATOM 0 H GLN A 22 -2.246 -6.441 -4.005 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.134 -9.183 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.833 -7.477 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.214 -6.421 -5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.143 -7.388 -6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.810 -8.246 -6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.617 -9.114 -6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.458 -10.634 -5.640 1.00 0.00 H new ATOM 353 N ASP A 23 -1.415 -7.280 -6.558 1.00 0.00 N ATOM 354 CA ASP A 23 -0.814 -7.157 -7.876 1.00 0.00 C ATOM 355 C ASP A 23 0.667 -6.805 -7.778 1.00 0.00 C ATOM 356 O ASP A 23 1.141 -6.387 -6.723 1.00 0.00 O ATOM 357 CB ASP A 23 -1.570 -6.097 -8.677 1.00 0.00 C ATOM 358 CG ASP A 23 -1.158 -6.051 -10.129 1.00 0.00 C ATOM 359 OD1 ASP A 23 -1.098 -7.125 -10.764 1.00 0.00 O ATOM 360 OD2 ASP A 23 -0.899 -4.945 -10.640 1.00 0.00 O ATOM 0 H ASP A 23 -1.070 -6.614 -5.867 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.886 -8.117 -8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.640 -6.296 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.401 -5.119 -8.226 1.00 0.00 H new ATOM 365 N ILE A 24 1.388 -6.982 -8.879 1.00 0.00 N ATOM 366 CA ILE A 24 2.813 -6.689 -8.934 1.00 0.00 C ATOM 367 C ILE A 24 3.079 -5.710 -10.070 1.00 0.00 C ATOM 368 O ILE A 24 2.596 -5.896 -11.187 1.00 0.00 O ATOM 369 CB ILE A 24 3.660 -7.970 -9.140 1.00 0.00 C ATOM 370 CG1 ILE A 24 3.435 -8.960 -7.992 1.00 0.00 C ATOM 371 CG2 ILE A 24 5.142 -7.631 -9.251 1.00 0.00 C ATOM 372 CD1 ILE A 24 3.812 -8.417 -6.627 1.00 0.00 C ATOM 0 H ILE A 24 1.002 -7.332 -9.756 1.00 0.00 H new ATOM 0 HA ILE A 24 3.105 -6.252 -7.979 1.00 0.00 H new ATOM 0 HB ILE A 24 3.339 -8.434 -10.072 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.385 -9.252 -7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.014 -9.863 -8.185 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.715 -8.547 -9.395 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.301 -6.966 -10.100 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.472 -7.137 -8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.624 -9.177 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.869 -8.152 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.214 -7.532 -6.410 1.00 0.00 H new ATOM 384 N ALA A 25 3.835 -4.670 -9.777 1.00 0.00 N ATOM 385 CA ALA A 25 4.070 -3.596 -10.723 1.00 0.00 C ATOM 386 C ALA A 25 5.399 -3.761 -11.434 1.00 0.00 C ATOM 387 O ALA A 25 5.876 -4.876 -11.652 1.00 0.00 O ATOM 388 CB ALA A 25 4.057 -2.271 -9.990 1.00 0.00 C ATOM 0 H ALA A 25 4.303 -4.545 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 25 3.278 -3.625 -11.472 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.233 -1.462 -10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.088 -2.130 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.840 -2.267 -9.232 1.00 0.00 H new ATOM 442 N ASP A 29 7.665 -4.155 -7.470 1.00 0.00 N ATOM 443 CA ASP A 29 6.908 -3.299 -6.570 1.00 0.00 C ATOM 444 C ASP A 29 5.518 -3.880 -6.392 1.00 0.00 C ATOM 445 O ASP A 29 4.806 -4.108 -7.366 1.00 0.00 O ATOM 446 CB ASP A 29 6.802 -1.862 -7.098 1.00 0.00 C ATOM 447 CG ASP A 29 8.150 -1.243 -7.415 1.00 0.00 C ATOM 448 OD1 ASP A 29 9.030 -1.232 -6.530 1.00 0.00 O ATOM 449 OD2 ASP A 29 8.337 -0.757 -8.550 1.00 0.00 O ATOM 0 HA ASP A 29 7.433 -3.259 -5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.186 -1.856 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.291 -1.246 -6.358 1.00 0.00 H new ATOM 454 N GLY A 30 5.143 -4.147 -5.157 1.00 0.00 N ATOM 455 CA GLY A 30 3.842 -4.714 -4.892 1.00 0.00 C ATOM 456 C GLY A 30 2.756 -3.668 -4.935 1.00 0.00 C ATOM 457 O GLY A 30 2.934 -2.558 -4.434 1.00 0.00 O ATOM 0 H GLY A 30 5.717 -3.981 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.628 -5.491 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.847 -5.193 -3.913 1.00 0.00 H new ATOM 461 N ILE A 31 1.638 -4.008 -5.545 1.00 0.00 N ATOM 462 CA ILE A 31 0.531 -3.084 -5.658 1.00 0.00 C ATOM 463 C ILE A 31 -0.619 -3.507 -4.757 1.00 0.00 C ATOM 464 O ILE A 31 -1.230 -4.564 -4.950 1.00 0.00 O ATOM 465 CB ILE A 31 0.028 -2.977 -7.112 1.00 0.00 C ATOM 466 CG1 ILE A 31 1.143 -2.480 -8.032 1.00 0.00 C ATOM 467 CG2 ILE A 31 -1.171 -2.048 -7.191 1.00 0.00 C ATOM 468 CD1 ILE A 31 1.651 -1.099 -7.673 1.00 0.00 C ATOM 0 H ILE A 31 1.474 -4.920 -5.971 1.00 0.00 H new ATOM 0 HA ILE A 31 0.897 -2.106 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.277 -3.970 -7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.974 -3.185 -7.997 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.778 -2.469 -9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.514 -1.983 -8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.975 -2.437 -6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.886 -1.056 -6.840 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.440 -0.810 -8.367 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.832 -0.382 -7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.046 -1.109 -6.657 1.00 0.00 H new ATOM 480 N ALA A 32 -0.893 -2.683 -3.764 1.00 0.00 N ATOM 481 CA ALA A 32 -2.007 -2.910 -2.869 1.00 0.00 C ATOM 482 C ALA A 32 -3.092 -1.877 -3.125 1.00 0.00 C ATOM 483 O ALA A 32 -2.896 -0.686 -2.890 1.00 0.00 O ATOM 484 CB ALA A 32 -1.545 -2.859 -1.421 1.00 0.00 C ATOM 0 H ALA A 32 -0.352 -1.843 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.417 -3.902 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.395 -3.032 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.792 -3.629 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.116 -1.880 -1.210 1.00 0.00 H new ATOM 490 N ARG A 33 -4.223 -2.327 -3.639 1.00 0.00 N ATOM 491 CA ARG A 33 -5.333 -1.429 -3.890 1.00 0.00 C ATOM 492 C ARG A 33 -6.334 -1.492 -2.755 1.00 0.00 C ATOM 493 O ARG A 33 -6.945 -2.531 -2.517 1.00 0.00 O ATOM 494 CB ARG A 33 -6.041 -1.743 -5.214 1.00 0.00 C ATOM 495 CG ARG A 33 -5.434 -1.045 -6.420 1.00 0.00 C ATOM 496 CD ARG A 33 -4.476 -1.941 -7.176 1.00 0.00 C ATOM 497 NE ARG A 33 -5.165 -3.053 -7.825 1.00 0.00 N ATOM 498 CZ ARG A 33 -4.624 -3.825 -8.766 1.00 0.00 C ATOM 499 NH1 ARG A 33 -3.408 -3.562 -9.237 1.00 0.00 N ATOM 500 NH2 ARG A 33 -5.320 -4.836 -9.261 1.00 0.00 N ATOM 0 H ARG A 33 -4.395 -3.301 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.919 -0.423 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.017 -2.820 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.089 -1.456 -5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.231 -0.721 -7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.908 -0.148 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.947 -1.354 -7.927 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.725 -2.331 -6.489 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.124 -3.252 -7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.883 -2.765 -8.878 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.000 -4.158 -9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.264 -5.020 -8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.912 -5.431 -9.982 1.00 0.00 H new ATOM 514 N ILE A 34 -6.484 -0.388 -2.042 1.00 0.00 N ATOM 515 CA ILE A 34 -7.524 -0.283 -1.038 1.00 0.00 C ATOM 516 C ILE A 34 -8.756 0.355 -1.650 1.00 0.00 C ATOM 517 O ILE A 34 -8.767 1.545 -1.971 1.00 0.00 O ATOM 518 CB ILE A 34 -7.074 0.511 0.205 1.00 0.00 C ATOM 519 CG1 ILE A 34 -5.976 -0.259 0.935 1.00 0.00 C ATOM 520 CG2 ILE A 34 -8.254 0.771 1.135 1.00 0.00 C ATOM 521 CD1 ILE A 34 -5.567 0.371 2.244 1.00 0.00 C ATOM 0 H ILE A 34 -5.901 0.443 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.754 -1.293 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.680 1.475 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.320 -1.276 1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.102 -0.332 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.914 1.332 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.014 1.346 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.678 -0.179 1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.784 -0.229 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.193 1.378 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.429 0.419 2.910 1.00 0.00 H new ATOM 533 N GLU A 35 -9.772 -0.475 -1.843 1.00 0.00 N ATOM 534 CA GLU A 35 -11.007 -0.079 -2.518 1.00 0.00 C ATOM 535 C GLU A 35 -10.738 0.497 -3.909 1.00 0.00 C ATOM 536 O GLU A 35 -11.567 1.217 -4.464 1.00 0.00 O ATOM 537 CB GLU A 35 -11.783 0.924 -1.665 1.00 0.00 C ATOM 538 CG GLU A 35 -12.388 0.307 -0.417 1.00 0.00 C ATOM 539 CD GLU A 35 -13.277 -0.875 -0.739 1.00 0.00 C ATOM 540 OE1 GLU A 35 -14.424 -0.658 -1.184 1.00 0.00 O ATOM 541 OE2 GLU A 35 -12.835 -2.027 -0.558 1.00 0.00 O ATOM 0 H GLU A 35 -9.766 -1.447 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.611 -0.977 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.116 1.736 -1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.578 1.364 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.589 -0.013 0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.967 1.061 0.115 1.00 0.00 H new ATOM 548 N GLY A 36 -9.586 0.157 -4.474 1.00 0.00 N ATOM 549 CA GLY A 36 -9.243 0.629 -5.800 1.00 0.00 C ATOM 550 C GLY A 36 -8.016 1.523 -5.819 1.00 0.00 C ATOM 551 O GLY A 36 -7.313 1.593 -6.829 1.00 0.00 O ATOM 0 H GLY A 36 -8.883 -0.438 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.070 -0.229 -6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.090 1.177 -6.214 1.00 0.00 H new ATOM 555 N PHE A 37 -7.744 2.197 -4.706 1.00 0.00 N ATOM 556 CA PHE A 37 -6.626 3.136 -4.640 1.00 0.00 C ATOM 557 C PHE A 37 -5.295 2.394 -4.688 1.00 0.00 C ATOM 558 O PHE A 37 -5.063 1.468 -3.913 1.00 0.00 O ATOM 559 CB PHE A 37 -6.712 3.983 -3.371 1.00 0.00 C ATOM 560 CG PHE A 37 -5.741 5.130 -3.353 1.00 0.00 C ATOM 561 CD1 PHE A 37 -6.042 6.317 -4.001 1.00 0.00 C ATOM 562 CD2 PHE A 37 -4.526 5.020 -2.697 1.00 0.00 C ATOM 563 CE1 PHE A 37 -5.153 7.373 -3.994 1.00 0.00 C ATOM 564 CE2 PHE A 37 -3.631 6.073 -2.687 1.00 0.00 C ATOM 565 CZ PHE A 37 -3.945 7.250 -3.336 1.00 0.00 C ATOM 0 H PHE A 37 -8.278 2.112 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.685 3.796 -5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.725 4.372 -3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.528 3.347 -2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.985 6.417 -4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.275 4.101 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.402 8.293 -4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.687 5.975 -2.172 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.247 8.074 -3.329 1.00 0.00 H new ATOM 575 N VAL A 38 -4.426 2.812 -5.597 1.00 0.00 N ATOM 576 CA VAL A 38 -3.165 2.119 -5.840 1.00 0.00 C ATOM 577 C VAL A 38 -2.070 2.585 -4.883 1.00 0.00 C ATOM 578 O VAL A 38 -1.675 3.752 -4.896 1.00 0.00 O ATOM 579 CB VAL A 38 -2.689 2.336 -7.294 1.00 0.00 C ATOM 580 CG1 VAL A 38 -1.393 1.594 -7.564 1.00 0.00 C ATOM 581 CG2 VAL A 38 -3.764 1.905 -8.277 1.00 0.00 C ATOM 0 H VAL A 38 -4.571 3.634 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.350 1.058 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.500 3.401 -7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.083 1.766 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.619 1.956 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.545 0.527 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.411 2.065 -9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.987 0.848 -8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.667 2.492 -8.109 1.00 0.00 H new ATOM 591 N ILE A 39 -1.600 1.669 -4.046 1.00 0.00 N ATOM 592 CA ILE A 39 -0.472 1.934 -3.163 1.00 0.00 C ATOM 593 C ILE A 39 0.738 1.109 -3.602 1.00 0.00 C ATOM 594 O ILE A 39 0.612 -0.087 -3.874 1.00 0.00 O ATOM 595 CB ILE A 39 -0.817 1.587 -1.701 1.00 0.00 C ATOM 596 CG1 ILE A 39 -2.109 2.295 -1.284 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.327 1.974 -0.771 1.00 0.00 C ATOM 598 CD1 ILE A 39 -2.662 1.824 0.041 1.00 0.00 C ATOM 0 H ILE A 39 -1.986 0.729 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.240 2.997 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.966 0.510 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.923 3.368 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.862 2.141 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.063 1.721 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.228 1.432 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.509 3.046 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.577 2.371 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.881 0.758 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.927 2.003 0.826 1.00 0.00 H new ATOM 610 N PHE A 40 1.896 1.753 -3.682 1.00 0.00 N ATOM 611 CA PHE A 40 3.125 1.084 -4.089 1.00 0.00 C ATOM 612 C PHE A 40 3.909 0.597 -2.877 1.00 0.00 C ATOM 613 O PHE A 40 4.257 1.386 -1.991 1.00 0.00 O ATOM 614 CB PHE A 40 4.000 2.022 -4.923 1.00 0.00 C ATOM 615 CG PHE A 40 3.504 2.233 -6.324 1.00 0.00 C ATOM 616 CD1 PHE A 40 2.428 3.065 -6.581 1.00 0.00 C ATOM 617 CD2 PHE A 40 4.123 1.599 -7.387 1.00 0.00 C ATOM 618 CE1 PHE A 40 1.975 3.258 -7.871 1.00 0.00 C ATOM 619 CE2 PHE A 40 3.675 1.788 -8.682 1.00 0.00 C ATOM 620 CZ PHE A 40 2.601 2.620 -8.923 1.00 0.00 C ATOM 0 H PHE A 40 2.009 2.744 -3.469 1.00 0.00 H new ATOM 0 HA PHE A 40 2.847 0.222 -4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.062 2.987 -4.421 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.012 1.619 -4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.937 3.570 -5.762 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.966 0.949 -7.203 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.132 3.907 -8.057 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.165 1.285 -9.503 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.251 2.772 -9.933 1.00 0.00 H new ATOM 630 N VAL A 41 4.178 -0.701 -2.843 1.00 0.00 N ATOM 631 CA VAL A 41 4.960 -1.303 -1.773 1.00 0.00 C ATOM 632 C VAL A 41 6.103 -2.121 -2.375 1.00 0.00 C ATOM 633 O VAL A 41 5.933 -3.297 -2.699 1.00 0.00 O ATOM 634 CB VAL A 41 4.094 -2.213 -0.870 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.909 -2.754 0.298 1.00 0.00 C ATOM 636 CG2 VAL A 41 2.859 -1.475 -0.369 1.00 0.00 C ATOM 0 H VAL A 41 3.862 -1.363 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 41 5.357 -0.498 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 41 3.760 -3.058 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.278 -3.391 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.749 -3.336 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.284 -1.923 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.270 -2.139 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.166 -0.603 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.257 -1.154 -1.219 1.00 0.00 H new ATOM 646 N PRO A 42 7.274 -1.495 -2.560 1.00 0.00 N ATOM 647 CA PRO A 42 8.421 -2.129 -3.224 1.00 0.00 C ATOM 648 C PRO A 42 8.907 -3.387 -2.506 1.00 0.00 C ATOM 649 O PRO A 42 9.271 -3.340 -1.331 1.00 0.00 O ATOM 650 CB PRO A 42 9.506 -1.043 -3.188 1.00 0.00 C ATOM 651 CG PRO A 42 8.773 0.235 -2.968 1.00 0.00 C ATOM 652 CD PRO A 42 7.575 -0.118 -2.137 1.00 0.00 C ATOM 0 HA PRO A 42 8.162 -2.464 -4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.222 -1.229 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.069 -1.018 -4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.402 0.964 -2.457 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.473 0.682 -3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.793 -0.062 -1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.739 0.555 -2.328 1.00 0.00 H new ATOM 660 N GLY A 43 8.899 -4.511 -3.217 1.00 0.00 N ATOM 661 CA GLY A 43 9.424 -5.742 -2.664 1.00 0.00 C ATOM 662 C GLY A 43 8.372 -6.567 -1.943 1.00 0.00 C ATOM 663 O GLY A 43 8.497 -6.826 -0.747 1.00 0.00 O ATOM 0 H GLY A 43 8.537 -4.589 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.858 -6.338 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.231 -5.507 -1.970 1.00 0.00 H new ATOM 667 N THR A 44 7.336 -6.985 -2.662 1.00 0.00 N ATOM 668 CA THR A 44 6.301 -7.843 -2.094 1.00 0.00 C ATOM 669 C THR A 44 5.813 -8.856 -3.126 1.00 0.00 C ATOM 670 O THR A 44 6.236 -8.824 -4.283 1.00 0.00 O ATOM 671 CB THR A 44 5.109 -7.021 -1.563 1.00 0.00 C ATOM 672 OG1 THR A 44 4.879 -5.888 -2.409 1.00 0.00 O ATOM 673 CG2 THR A 44 5.355 -6.558 -0.134 1.00 0.00 C ATOM 0 H THR A 44 7.190 -6.743 -3.642 1.00 0.00 H new ATOM 0 HA THR A 44 6.748 -8.375 -1.254 1.00 0.00 H new ATOM 0 HB THR A 44 4.227 -7.661 -1.568 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.479 -5.158 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.498 -5.981 0.214 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.494 -7.426 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.249 -5.935 -0.102 1.00 0.00 H new ATOM 681 N LYS A 45 4.939 -9.759 -2.700 1.00 0.00 N ATOM 682 CA LYS A 45 4.422 -10.804 -3.572 1.00 0.00 C ATOM 683 C LYS A 45 2.896 -10.841 -3.490 1.00 0.00 C ATOM 684 O LYS A 45 2.318 -10.490 -2.460 1.00 0.00 O ATOM 685 CB LYS A 45 5.009 -12.154 -3.146 1.00 0.00 C ATOM 686 CG LYS A 45 4.730 -13.298 -4.111 1.00 0.00 C ATOM 687 CD LYS A 45 5.492 -13.137 -5.419 1.00 0.00 C ATOM 688 CE LYS A 45 6.999 -13.137 -5.204 1.00 0.00 C ATOM 689 NZ LYS A 45 7.472 -14.382 -4.542 1.00 0.00 N ATOM 0 H LYS A 45 4.572 -9.788 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 45 4.710 -10.597 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.088 -12.047 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.609 -12.416 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.007 -14.243 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.661 -13.346 -4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.223 -13.946 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.194 -12.205 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.501 -13.025 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.278 -12.276 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.509 -14.432 -4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.179 -14.378 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.059 -15.208 -5.021 1.00 0.00 H new ATOM 703 N VAL A 46 2.245 -11.244 -4.580 1.00 0.00 N ATOM 704 CA VAL A 46 0.789 -11.364 -4.595 1.00 0.00 C ATOM 705 C VAL A 46 0.313 -12.343 -3.523 1.00 0.00 C ATOM 706 O VAL A 46 0.629 -13.532 -3.568 1.00 0.00 O ATOM 707 CB VAL A 46 0.264 -11.827 -5.971 1.00 0.00 C ATOM 708 CG1 VAL A 46 -1.252 -11.955 -5.959 1.00 0.00 C ATOM 709 CG2 VAL A 46 0.705 -10.864 -7.060 1.00 0.00 C ATOM 0 H VAL A 46 2.700 -11.491 -5.459 1.00 0.00 H new ATOM 0 HA VAL A 46 0.390 -10.371 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 46 0.687 -12.809 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.597 -12.282 -6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.549 -12.686 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.697 -10.989 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.326 -11.206 -8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.312 -9.870 -6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.794 -10.825 -7.092 1.00 0.00 H new ATOM 719 N GLY A 47 -0.447 -11.832 -2.565 1.00 0.00 N ATOM 720 CA GLY A 47 -0.939 -12.657 -1.479 1.00 0.00 C ATOM 721 C GLY A 47 -0.424 -12.196 -0.130 1.00 0.00 C ATOM 722 O GLY A 47 -0.880 -12.675 0.911 1.00 0.00 O ATOM 0 H GLY A 47 -0.734 -10.854 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.029 -12.638 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.639 -13.691 -1.646 1.00 0.00 H new ATOM 726 N ASP A 48 0.524 -11.262 -0.147 1.00 0.00 N ATOM 727 CA ASP A 48 1.107 -10.747 1.089 1.00 0.00 C ATOM 728 C ASP A 48 0.130 -9.859 1.839 1.00 0.00 C ATOM 729 O ASP A 48 -0.137 -8.728 1.430 1.00 0.00 O ATOM 730 CB ASP A 48 2.391 -9.954 0.820 1.00 0.00 C ATOM 731 CG ASP A 48 3.627 -10.824 0.788 1.00 0.00 C ATOM 732 OD1 ASP A 48 3.834 -11.605 1.740 1.00 0.00 O ATOM 733 OD2 ASP A 48 4.411 -10.721 -0.180 1.00 0.00 O ATOM 0 H ASP A 48 0.903 -10.848 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 48 1.345 -11.617 1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.296 -9.432 -0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.509 -9.192 1.591 1.00 0.00 H new ATOM 738 N GLU A 49 -0.424 -10.385 2.919 1.00 0.00 N ATOM 739 CA GLU A 49 -1.174 -9.573 3.857 1.00 0.00 C ATOM 740 C GLU A 49 -0.211 -9.016 4.890 1.00 0.00 C ATOM 741 O GLU A 49 0.171 -9.702 5.841 1.00 0.00 O ATOM 742 CB GLU A 49 -2.281 -10.380 4.534 1.00 0.00 C ATOM 743 CG GLU A 49 -3.408 -10.765 3.595 1.00 0.00 C ATOM 744 CD GLU A 49 -4.525 -11.500 4.298 1.00 0.00 C ATOM 745 OE1 GLU A 49 -5.219 -10.883 5.135 1.00 0.00 O ATOM 746 OE2 GLU A 49 -4.713 -12.702 4.022 1.00 0.00 O ATOM 0 H GLU A 49 -0.367 -11.373 3.166 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.657 -8.758 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.850 -11.285 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.690 -9.799 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.808 -9.866 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.012 -11.392 2.796 1.00 0.00 H new ATOM 753 N VAL A 50 0.212 -7.786 4.679 1.00 0.00 N ATOM 754 CA VAL A 50 1.253 -7.196 5.501 1.00 0.00 C ATOM 755 C VAL A 50 0.841 -5.844 6.059 1.00 0.00 C ATOM 756 O VAL A 50 0.028 -5.130 5.470 1.00 0.00 O ATOM 757 CB VAL A 50 2.575 -7.029 4.717 1.00 0.00 C ATOM 758 CG1 VAL A 50 3.202 -8.382 4.425 1.00 0.00 C ATOM 759 CG2 VAL A 50 2.346 -6.254 3.424 1.00 0.00 C ATOM 0 H VAL A 50 -0.148 -7.175 3.946 1.00 0.00 H new ATOM 0 HA VAL A 50 1.409 -7.889 6.328 1.00 0.00 H new ATOM 0 HB VAL A 50 3.265 -6.458 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.131 -8.241 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.412 -8.896 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.513 -8.981 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.291 -6.150 2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.633 -6.792 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.950 -5.266 3.657 1.00 0.00 H new ATOM 769 N ARG A 51 1.406 -5.511 7.209 1.00 0.00 N ATOM 770 CA ARG A 51 1.246 -4.193 7.787 1.00 0.00 C ATOM 771 C ARG A 51 2.183 -3.215 7.106 1.00 0.00 C ATOM 772 O ARG A 51 3.385 -3.462 6.987 1.00 0.00 O ATOM 773 CB ARG A 51 1.537 -4.215 9.285 1.00 0.00 C ATOM 774 CG ARG A 51 0.379 -4.699 10.133 1.00 0.00 C ATOM 775 CD ARG A 51 -0.789 -3.731 10.083 1.00 0.00 C ATOM 776 NE ARG A 51 -1.901 -4.167 10.925 1.00 0.00 N ATOM 777 CZ ARG A 51 -2.930 -3.390 11.259 1.00 0.00 C ATOM 778 NH1 ARG A 51 -2.977 -2.131 10.840 1.00 0.00 N ATOM 779 NH2 ARG A 51 -3.901 -3.864 12.027 1.00 0.00 N ATOM 0 H ARG A 51 1.984 -6.144 7.762 1.00 0.00 H new ATOM 0 HA ARG A 51 0.213 -3.879 7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.400 -4.856 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.813 -3.210 9.605 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.056 -5.680 9.784 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.708 -4.821 11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.456 -2.745 10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.132 -3.631 9.053 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.888 -5.124 11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.224 -1.758 10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.766 -1.537 11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.861 -4.826 12.364 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.688 -3.267 12.281 1.00 0.00 H new ATOM 793 N ILE A 52 1.631 -2.109 6.666 1.00 0.00 N ATOM 794 CA ILE A 52 2.408 -1.092 5.982 1.00 0.00 C ATOM 795 C ILE A 52 2.069 0.286 6.510 1.00 0.00 C ATOM 796 O ILE A 52 0.938 0.544 6.922 1.00 0.00 O ATOM 797 CB ILE A 52 2.205 -1.131 4.444 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.716 -1.160 4.066 1.00 0.00 C ATOM 799 CG2 ILE A 52 2.928 -2.327 3.843 1.00 0.00 C ATOM 800 CD1 ILE A 52 0.055 0.203 4.010 1.00 0.00 C ATOM 0 H ILE A 52 0.641 -1.886 6.768 1.00 0.00 H new ATOM 0 HA ILE A 52 3.457 -1.309 6.184 1.00 0.00 H new ATOM 0 HB ILE A 52 2.631 -0.216 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.610 -1.641 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.183 -1.779 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.776 -2.340 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.994 -2.253 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.533 -3.246 4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.994 0.088 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.124 0.681 4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.558 0.821 3.267 1.00 0.00 H new ATOM 812 N LYS A 53 3.055 1.158 6.521 1.00 0.00 N ATOM 813 CA LYS A 53 2.834 2.541 6.874 1.00 0.00 C ATOM 814 C LYS A 53 2.811 3.377 5.611 1.00 0.00 C ATOM 815 O LYS A 53 3.835 3.523 4.945 1.00 0.00 O ATOM 816 CB LYS A 53 3.929 3.056 7.815 1.00 0.00 C ATOM 817 CG LYS A 53 3.733 4.507 8.246 1.00 0.00 C ATOM 818 CD LYS A 53 4.980 5.059 8.918 1.00 0.00 C ATOM 819 CE LYS A 53 4.817 6.509 9.349 1.00 0.00 C ATOM 820 NZ LYS A 53 3.928 6.657 10.536 1.00 0.00 N ATOM 0 H LYS A 53 4.022 0.930 6.288 1.00 0.00 H new ATOM 0 HA LYS A 53 1.879 2.619 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.961 2.424 8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.896 2.960 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.486 5.116 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.888 4.574 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.219 4.449 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.823 4.980 8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.797 6.928 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.409 7.087 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.850 7.663 10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.984 6.283 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.328 6.129 11.338 1.00 0.00 H new ATOM 834 N VAL A 54 1.649 3.913 5.273 1.00 0.00 N ATOM 835 CA VAL A 54 1.543 4.807 4.141 1.00 0.00 C ATOM 836 C VAL A 54 2.292 6.075 4.487 1.00 0.00 C ATOM 837 O VAL A 54 1.909 6.795 5.405 1.00 0.00 O ATOM 838 CB VAL A 54 0.076 5.138 3.789 1.00 0.00 C ATOM 839 CG1 VAL A 54 0.003 6.120 2.628 1.00 0.00 C ATOM 840 CG2 VAL A 54 -0.692 3.869 3.457 1.00 0.00 C ATOM 0 H VAL A 54 0.772 3.743 5.766 1.00 0.00 H new ATOM 0 HA VAL A 54 1.970 4.321 3.264 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.383 5.605 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.041 6.337 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.514 7.043 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.483 5.684 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.724 4.122 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.227 3.375 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.677 3.199 4.317 1.00 0.00 H new ATOM 850 N GLU A 55 3.384 6.301 3.778 1.00 0.00 N ATOM 851 CA GLU A 55 4.332 7.350 4.120 1.00 0.00 C ATOM 852 C GLU A 55 4.018 8.652 3.406 1.00 0.00 C ATOM 853 O GLU A 55 4.237 9.737 3.944 1.00 0.00 O ATOM 854 CB GLU A 55 5.748 6.887 3.765 1.00 0.00 C ATOM 855 CG GLU A 55 5.881 6.346 2.351 1.00 0.00 C ATOM 856 CD GLU A 55 7.262 5.793 2.062 1.00 0.00 C ATOM 857 OE1 GLU A 55 8.145 6.570 1.641 1.00 0.00 O ATOM 858 OE2 GLU A 55 7.471 4.577 2.249 1.00 0.00 O ATOM 0 H GLU A 55 3.640 5.764 2.949 1.00 0.00 H new ATOM 0 HA GLU A 55 4.257 7.539 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.436 7.724 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.055 6.114 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.140 5.561 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.657 7.141 1.640 1.00 0.00 H new ATOM 865 N ARG A 56 3.497 8.540 2.199 1.00 0.00 N ATOM 866 CA ARG A 56 3.298 9.697 1.348 1.00 0.00 C ATOM 867 C ARG A 56 2.209 9.411 0.329 1.00 0.00 C ATOM 868 O ARG A 56 2.234 8.371 -0.334 1.00 0.00 O ATOM 869 CB ARG A 56 4.619 10.034 0.650 1.00 0.00 C ATOM 870 CG ARG A 56 4.553 11.214 -0.303 1.00 0.00 C ATOM 871 CD ARG A 56 5.917 11.484 -0.916 1.00 0.00 C ATOM 872 NE ARG A 56 5.903 12.621 -1.828 1.00 0.00 N ATOM 873 CZ ARG A 56 6.802 12.807 -2.789 1.00 0.00 C ATOM 874 NH1 ARG A 56 7.780 11.928 -2.973 1.00 0.00 N ATOM 875 NH2 ARG A 56 6.731 13.883 -3.559 1.00 0.00 N ATOM 0 H ARG A 56 3.203 7.656 1.785 1.00 0.00 H new ATOM 0 HA ARG A 56 2.983 10.550 1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.373 10.240 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.956 9.157 0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.828 11.012 -1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.206 12.099 0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.639 11.669 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.253 10.596 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 56 5.161 13.313 -1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.844 11.104 -2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.467 12.077 -3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.988 14.566 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.420 14.028 -4.297 1.00 0.00 H new ATOM 889 N VAL A 57 1.249 10.316 0.217 1.00 0.00 N ATOM 890 CA VAL A 57 0.141 10.127 -0.705 1.00 0.00 C ATOM 891 C VAL A 57 0.166 11.168 -1.817 1.00 0.00 C ATOM 892 O VAL A 57 0.470 12.337 -1.591 1.00 0.00 O ATOM 893 CB VAL A 57 -1.234 10.173 0.010 1.00 0.00 C ATOM 894 CG1 VAL A 57 -1.344 9.067 1.047 1.00 0.00 C ATOM 895 CG2 VAL A 57 -1.480 11.532 0.652 1.00 0.00 C ATOM 0 H VAL A 57 1.215 11.185 0.751 1.00 0.00 H new ATOM 0 HA VAL A 57 0.269 9.134 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.003 10.014 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.317 9.121 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.236 8.098 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.558 9.188 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.452 11.531 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.701 11.734 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.463 12.306 -0.116 1.00 0.00 H new ATOM 905 N LEU A 58 -0.132 10.716 -3.020 1.00 0.00 N ATOM 906 CA LEU A 58 -0.295 11.591 -4.162 1.00 0.00 C ATOM 907 C LEU A 58 -1.677 11.353 -4.751 1.00 0.00 C ATOM 908 O LEU A 58 -2.228 10.264 -4.596 1.00 0.00 O ATOM 909 CB LEU A 58 0.789 11.315 -5.215 1.00 0.00 C ATOM 910 CG LEU A 58 2.229 11.578 -4.762 1.00 0.00 C ATOM 911 CD1 LEU A 58 3.214 11.162 -5.842 1.00 0.00 C ATOM 912 CD2 LEU A 58 2.419 13.044 -4.407 1.00 0.00 C ATOM 0 H LEU A 58 -0.268 9.728 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.195 12.630 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.709 10.274 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.584 11.929 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 58 2.421 10.980 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.231 11.357 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.098 10.098 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.020 11.732 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.448 13.211 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.206 13.660 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.740 13.313 -3.598 1.00 0.00 H new ATOM 924 N PRO A 59 -2.261 12.353 -5.429 1.00 0.00 N ATOM 925 CA PRO A 59 -3.606 12.237 -6.017 1.00 0.00 C ATOM 926 C PRO A 59 -3.754 11.049 -6.969 1.00 0.00 C ATOM 927 O PRO A 59 -4.869 10.638 -7.291 1.00 0.00 O ATOM 928 CB PRO A 59 -3.776 13.554 -6.778 1.00 0.00 C ATOM 929 CG PRO A 59 -2.856 14.505 -6.098 1.00 0.00 C ATOM 930 CD PRO A 59 -1.676 13.687 -5.654 1.00 0.00 C ATOM 0 HA PRO A 59 -4.359 12.063 -5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.519 13.439 -7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.808 13.904 -6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.547 15.302 -6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.344 14.981 -5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.894 13.662 -6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.226 14.088 -4.746 1.00 0.00 H new ATOM 938 N LYS A 60 -2.629 10.498 -7.410 1.00 0.00 N ATOM 939 CA LYS A 60 -2.637 9.379 -8.342 1.00 0.00 C ATOM 940 C LYS A 60 -2.387 8.047 -7.625 1.00 0.00 C ATOM 941 O LYS A 60 -2.950 7.020 -8.003 1.00 0.00 O ATOM 942 CB LYS A 60 -1.573 9.597 -9.423 1.00 0.00 C ATOM 943 CG LYS A 60 -1.602 8.559 -10.532 1.00 0.00 C ATOM 944 CD LYS A 60 -2.899 8.620 -11.316 1.00 0.00 C ATOM 945 CE LYS A 60 -2.939 7.562 -12.402 1.00 0.00 C ATOM 946 NZ LYS A 60 -4.151 7.691 -13.246 1.00 0.00 N ATOM 0 H LYS A 60 -1.697 10.810 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.624 9.331 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.710 10.586 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.588 9.589 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.760 8.721 -11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.481 7.564 -10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.742 8.481 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.009 9.608 -11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.050 7.647 -13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.916 6.572 -11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.145 6.952 -13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.999 7.585 -12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.160 8.627 -13.700 1.00 0.00 H new ATOM 960 N PHE A 61 -1.555 8.070 -6.586 1.00 0.00 N ATOM 961 CA PHE A 61 -1.142 6.847 -5.897 1.00 0.00 C ATOM 962 C PHE A 61 -0.392 7.186 -4.613 1.00 0.00 C ATOM 963 O PHE A 61 -0.095 8.348 -4.356 1.00 0.00 O ATOM 964 CB PHE A 61 -0.260 5.976 -6.808 1.00 0.00 C ATOM 965 CG PHE A 61 0.970 6.669 -7.331 1.00 0.00 C ATOM 966 CD1 PHE A 61 2.134 6.720 -6.579 1.00 0.00 C ATOM 967 CD2 PHE A 61 0.962 7.264 -8.583 1.00 0.00 C ATOM 968 CE1 PHE A 61 3.262 7.349 -7.066 1.00 0.00 C ATOM 969 CE2 PHE A 61 2.088 7.896 -9.074 1.00 0.00 C ATOM 970 CZ PHE A 61 3.239 7.940 -8.313 1.00 0.00 C ATOM 0 H PHE A 61 -1.152 8.924 -6.201 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.040 6.283 -5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.046 5.088 -6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.857 5.635 -7.654 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.158 6.262 -5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.064 7.233 -9.182 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.163 7.379 -6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.068 8.355 -10.051 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.120 8.436 -8.693 1.00 0.00 H new ATOM 980 N ALA A 62 -0.073 6.175 -3.818 1.00 0.00 N ATOM 981 CA ALA A 62 0.614 6.399 -2.549 1.00 0.00 C ATOM 982 C ALA A 62 1.783 5.439 -2.366 1.00 0.00 C ATOM 983 O ALA A 62 1.844 4.390 -3.004 1.00 0.00 O ATOM 984 CB ALA A 62 -0.360 6.257 -1.389 1.00 0.00 C ATOM 0 H ALA A 62 -0.276 5.197 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 62 1.012 7.414 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.166 6.427 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.160 6.989 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.784 5.253 -1.391 1.00 0.00 H new ATOM 990 N PHE A 63 2.708 5.810 -1.488 1.00 0.00 N ATOM 991 CA PHE A 63 3.833 4.950 -1.134 1.00 0.00 C ATOM 992 C PHE A 63 3.642 4.426 0.281 1.00 0.00 C ATOM 993 O PHE A 63 3.004 5.087 1.106 1.00 0.00 O ATOM 994 CB PHE A 63 5.160 5.713 -1.192 1.00 0.00 C ATOM 995 CG PHE A 63 5.382 6.492 -2.452 1.00 0.00 C ATOM 996 CD1 PHE A 63 5.603 5.847 -3.657 1.00 0.00 C ATOM 997 CD2 PHE A 63 5.382 7.875 -2.423 1.00 0.00 C ATOM 998 CE1 PHE A 63 5.819 6.572 -4.813 1.00 0.00 C ATOM 999 CE2 PHE A 63 5.596 8.607 -3.574 1.00 0.00 C ATOM 1000 CZ PHE A 63 5.815 7.954 -4.772 1.00 0.00 C ATOM 0 H PHE A 63 2.701 6.708 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 63 3.866 4.130 -1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.207 6.398 -0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.977 5.002 -1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.607 4.768 -3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.212 8.389 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.991 6.060 -5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.592 9.686 -3.538 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.983 8.522 -5.675 1.00 0.00 H new ATOM 1010 N ALA A 64 4.198 3.259 0.573 1.00 0.00 N ATOM 1011 CA ALA A 64 4.103 2.705 1.915 1.00 0.00 C ATOM 1012 C ALA A 64 5.389 1.997 2.326 1.00 0.00 C ATOM 1013 O ALA A 64 6.052 1.355 1.510 1.00 0.00 O ATOM 1014 CB ALA A 64 2.920 1.755 2.005 1.00 0.00 C ATOM 0 H ALA A 64 4.714 2.683 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 64 3.951 3.532 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.858 1.346 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.001 2.295 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.051 0.942 1.291 1.00 0.00 H new ATOM 1020 N SER A 65 5.741 2.143 3.596 1.00 0.00 N ATOM 1021 CA SER A 65 6.871 1.440 4.176 1.00 0.00 C ATOM 1022 C SER A 65 6.384 0.153 4.840 1.00 0.00 C ATOM 1023 O SER A 65 5.337 0.145 5.486 1.00 0.00 O ATOM 1024 CB SER A 65 7.572 2.328 5.208 1.00 0.00 C ATOM 1025 OG SER A 65 7.999 3.558 4.638 1.00 0.00 O ATOM 0 H SER A 65 5.250 2.752 4.251 1.00 0.00 H new ATOM 0 HA SER A 65 7.582 1.193 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.894 2.527 6.038 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.432 1.799 5.619 1.00 0.00 H new ATOM 0 HG SER A 65 7.784 3.568 3.682 1.00 0.00 H new ATOM 1031 N VAL A 66 7.132 -0.928 4.684 1.00 0.00 N ATOM 1032 CA VAL A 66 6.730 -2.211 5.243 1.00 0.00 C ATOM 1033 C VAL A 66 7.098 -2.293 6.718 1.00 0.00 C ATOM 1034 O VAL A 66 8.273 -2.225 7.076 1.00 0.00 O ATOM 1035 CB VAL A 66 7.385 -3.389 4.497 1.00 0.00 C ATOM 1036 CG1 VAL A 66 6.825 -4.715 4.990 1.00 0.00 C ATOM 1037 CG2 VAL A 66 7.195 -3.251 2.996 1.00 0.00 C ATOM 0 H VAL A 66 8.017 -0.944 4.177 1.00 0.00 H new ATOM 0 HA VAL A 66 5.649 -2.283 5.128 1.00 0.00 H new ATOM 0 HB VAL A 66 8.455 -3.370 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.301 -5.534 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.023 -4.820 6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.749 -4.743 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.666 -4.094 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.130 -3.237 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.653 -2.322 2.655 1.00 0.00 H new ATOM 1047 N VAL A 67 6.091 -2.440 7.569 1.00 0.00 N ATOM 1048 CA VAL A 67 6.315 -2.535 9.008 1.00 0.00 C ATOM 1049 C VAL A 67 5.834 -3.880 9.540 1.00 0.00 C ATOM 1050 O VAL A 67 5.606 -4.047 10.740 1.00 0.00 O ATOM 1051 CB VAL A 67 5.616 -1.393 9.779 1.00 0.00 C ATOM 1052 CG1 VAL A 67 6.228 -0.049 9.416 1.00 0.00 C ATOM 1053 CG2 VAL A 67 4.122 -1.382 9.498 1.00 0.00 C ATOM 0 H VAL A 67 5.112 -2.496 7.289 1.00 0.00 H new ATOM 0 HA VAL A 67 7.389 -2.444 9.169 1.00 0.00 H new ATOM 0 HB VAL A 67 5.764 -1.568 10.845 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.722 0.742 9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.288 -0.051 9.672 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.114 0.126 8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.653 -0.569 10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.954 -1.238 8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.686 -2.332 9.809 1.00 0.00 H new ATOM 1063 N GLU A 68 5.711 -4.834 8.635 1.00 0.00 N ATOM 1064 CA GLU A 68 5.261 -6.174 8.978 1.00 0.00 C ATOM 1065 C GLU A 68 6.471 -7.044 9.292 1.00 0.00 C ATOM 1066 O GLU A 68 6.607 -7.480 10.449 1.00 0.00 O ATOM 1067 CB GLU A 68 4.455 -6.773 7.818 1.00 0.00 C ATOM 1068 CG GLU A 68 3.429 -7.827 8.231 1.00 0.00 C ATOM 1069 CD GLU A 68 4.042 -9.122 8.721 1.00 0.00 C ATOM 1070 OE1 GLU A 68 4.501 -9.923 7.875 1.00 0.00 O ATOM 1071 OE2 GLU A 68 4.041 -9.359 9.946 1.00 0.00 O ATOM 1072 OXT GLU A 68 7.309 -7.241 8.384 1.00 0.00 O ATOM 0 H GLU A 68 5.919 -4.704 7.645 1.00 0.00 H new ATOM 0 HA GLU A 68 4.615 -6.129 9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.938 -5.966 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.148 -7.220 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.797 -7.415 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.781 -8.042 7.381 1.00 0.00 H new