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 -116:sc= 0.546 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0986 X(o=-0.099,f=-0.042) USER MOD Single : A 44 THR OG1 : rot -84:sc= -2.21! USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= -1.24! (180deg=-3.27!) USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= 0.791 (180deg=-0.334) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N PRO A 10 -8.650 6.969 0.530 1.00 0.00 N ATOM 157 CA PRO A 10 -8.875 6.002 1.622 1.00 0.00 C ATOM 158 C PRO A 10 -7.675 5.829 2.558 1.00 0.00 C ATOM 159 O PRO A 10 -7.794 5.215 3.616 1.00 0.00 O ATOM 160 CB PRO A 10 -9.172 4.689 0.893 1.00 0.00 C ATOM 161 CG PRO A 10 -8.595 4.861 -0.465 1.00 0.00 C ATOM 162 CD PRO A 10 -8.736 6.319 -0.792 1.00 0.00 C ATOM 0 HA PRO A 10 -9.677 6.343 2.276 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.721 3.841 1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.244 4.499 0.845 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.549 4.556 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.122 4.245 -1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.946 6.660 -1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.685 6.532 -1.285 1.00 0.00 H new ATOM 170 N VAL A 11 -6.529 6.367 2.166 1.00 0.00 N ATOM 171 CA VAL A 11 -5.316 6.267 2.964 1.00 0.00 C ATOM 172 C VAL A 11 -4.610 7.619 3.026 1.00 0.00 C ATOM 173 O VAL A 11 -4.434 8.281 2.003 1.00 0.00 O ATOM 174 CB VAL A 11 -4.346 5.201 2.399 1.00 0.00 C ATOM 175 CG1 VAL A 11 -4.943 3.810 2.532 1.00 0.00 C ATOM 176 CG2 VAL A 11 -3.998 5.488 0.944 1.00 0.00 C ATOM 0 H VAL A 11 -6.414 6.881 1.293 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.610 5.961 3.968 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.427 5.246 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.246 3.075 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.131 3.594 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.881 3.762 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.315 4.722 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.908 5.482 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.521 6.465 0.870 1.00 0.00 H new ATOM 186 N GLU A 12 -4.213 8.036 4.218 1.00 0.00 N ATOM 187 CA GLU A 12 -3.587 9.342 4.380 1.00 0.00 C ATOM 188 C GLU A 12 -2.163 9.224 4.920 1.00 0.00 C ATOM 189 O GLU A 12 -1.715 8.144 5.312 1.00 0.00 O ATOM 190 CB GLU A 12 -4.445 10.256 5.265 1.00 0.00 C ATOM 191 CG GLU A 12 -5.753 10.669 4.602 1.00 0.00 C ATOM 192 CD GLU A 12 -6.533 11.700 5.394 1.00 0.00 C ATOM 193 OE1 GLU A 12 -6.276 12.917 5.224 1.00 0.00 O ATOM 194 OE2 GLU A 12 -7.428 11.306 6.164 1.00 0.00 O ATOM 0 H GLU A 12 -4.311 7.498 5.079 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.519 9.798 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.665 9.744 6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.874 11.149 5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.538 11.070 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.374 9.785 4.460 1.00 0.00 H new ATOM 201 N GLU A 13 -1.461 10.351 4.914 1.00 0.00 N ATOM 202 CA GLU A 13 -0.044 10.399 5.249 1.00 0.00 C ATOM 203 C GLU A 13 0.220 10.035 6.705 1.00 0.00 C ATOM 204 O GLU A 13 -0.233 10.720 7.625 1.00 0.00 O ATOM 205 CB GLU A 13 0.499 11.796 4.968 1.00 0.00 C ATOM 206 CG GLU A 13 0.392 12.212 3.513 1.00 0.00 C ATOM 207 CD GLU A 13 0.560 13.704 3.335 1.00 0.00 C ATOM 208 OE1 GLU A 13 -0.455 14.430 3.424 1.00 0.00 O ATOM 209 OE2 GLU A 13 1.703 14.158 3.128 1.00 0.00 O ATOM 0 H GLU A 13 -1.860 11.259 4.676 1.00 0.00 H new ATOM 0 HA GLU A 13 0.464 9.661 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.041 12.516 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.545 11.837 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.151 11.690 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.578 11.907 3.119 1.00 0.00 H new ATOM 216 N GLY A 14 0.950 8.947 6.896 1.00 0.00 N ATOM 217 CA GLY A 14 1.438 8.583 8.209 1.00 0.00 C ATOM 218 C GLY A 14 0.533 7.617 8.939 1.00 0.00 C ATOM 219 O GLY A 14 0.464 7.640 10.167 1.00 0.00 O ATOM 0 H GLY A 14 1.216 8.301 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.428 8.138 8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.553 9.486 8.809 1.00 0.00 H new ATOM 223 N GLU A 15 -0.149 6.751 8.203 1.00 0.00 N ATOM 224 CA GLU A 15 -1.024 5.773 8.842 1.00 0.00 C ATOM 225 C GLU A 15 -0.627 4.360 8.453 1.00 0.00 C ATOM 226 O GLU A 15 -0.063 4.133 7.387 1.00 0.00 O ATOM 227 CB GLU A 15 -2.497 6.006 8.499 1.00 0.00 C ATOM 228 CG GLU A 15 -2.983 7.423 8.756 1.00 0.00 C ATOM 229 CD GLU A 15 -4.483 7.495 8.956 1.00 0.00 C ATOM 230 OE1 GLU A 15 -5.234 7.447 7.961 1.00 0.00 O ATOM 231 OE2 GLU A 15 -4.926 7.585 10.120 1.00 0.00 O ATOM 0 H GLU A 15 -0.117 6.703 7.185 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.905 5.900 9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.656 5.765 7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.107 5.314 9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.483 7.821 9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.701 8.058 7.916 1.00 0.00 H new ATOM 238 N VAL A 16 -0.938 3.415 9.318 1.00 0.00 N ATOM 239 CA VAL A 16 -0.581 2.022 9.092 1.00 0.00 C ATOM 240 C VAL A 16 -1.831 1.191 8.810 1.00 0.00 C ATOM 241 O VAL A 16 -2.844 1.316 9.503 1.00 0.00 O ATOM 242 CB VAL A 16 0.207 1.433 10.294 1.00 0.00 C ATOM 243 CG1 VAL A 16 -0.543 1.653 11.598 1.00 0.00 C ATOM 244 CG2 VAL A 16 0.505 -0.049 10.085 1.00 0.00 C ATOM 0 H VAL A 16 -1.440 3.585 10.190 1.00 0.00 H new ATOM 0 HA VAL A 16 0.071 1.983 8.219 1.00 0.00 H new ATOM 0 HB VAL A 16 1.158 1.961 10.357 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.031 1.231 12.423 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.682 2.722 11.762 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.516 1.164 11.545 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.057 -0.434 10.942 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.431 -0.597 9.981 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.102 -0.176 9.182 1.00 0.00 H new ATOM 254 N TYR A 17 -1.763 0.368 7.774 1.00 0.00 N ATOM 255 CA TYR A 17 -2.895 -0.449 7.363 1.00 0.00 C ATOM 256 C TYR A 17 -2.445 -1.889 7.134 1.00 0.00 C ATOM 257 O TYR A 17 -1.291 -2.137 6.775 1.00 0.00 O ATOM 258 CB TYR A 17 -3.517 0.094 6.069 1.00 0.00 C ATOM 259 CG TYR A 17 -3.825 1.580 6.086 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.868 2.506 5.691 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.074 2.056 6.475 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.141 3.859 5.685 1.00 0.00 C ATOM 263 CE2 TYR A 17 -5.356 3.413 6.464 1.00 0.00 C ATOM 264 CZ TYR A 17 -4.383 4.308 6.071 1.00 0.00 C ATOM 265 OH TYR A 17 -4.655 5.656 6.038 1.00 0.00 O ATOM 0 H TYR A 17 -0.929 0.248 7.199 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.641 -0.417 8.157 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.838 -0.113 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.439 -0.452 5.869 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.892 2.161 5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.835 1.357 6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.382 4.563 5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.332 3.767 6.761 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.822 5.978 6.948 1.00 0.00 H new ATOM 275 N ASP A 18 -3.351 -2.830 7.345 1.00 0.00 N ATOM 276 CA ASP A 18 -3.069 -4.236 7.084 1.00 0.00 C ATOM 277 C ASP A 18 -3.546 -4.586 5.683 1.00 0.00 C ATOM 278 O ASP A 18 -4.753 -4.670 5.437 1.00 0.00 O ATOM 279 CB ASP A 18 -3.774 -5.134 8.103 1.00 0.00 C ATOM 280 CG ASP A 18 -3.451 -4.766 9.536 1.00 0.00 C ATOM 281 OD1 ASP A 18 -2.395 -5.185 10.040 1.00 0.00 O ATOM 282 OD2 ASP A 18 -4.267 -4.066 10.172 1.00 0.00 O ATOM 0 H ASP A 18 -4.291 -2.647 7.697 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.995 -4.400 7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.852 -5.071 7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.487 -6.171 7.926 1.00 0.00 H new ATOM 287 N VAL A 19 -2.612 -4.780 4.765 1.00 0.00 N ATOM 288 CA VAL A 19 -2.957 -4.940 3.358 1.00 0.00 C ATOM 289 C VAL A 19 -2.534 -6.299 2.823 1.00 0.00 C ATOM 290 O VAL A 19 -1.771 -7.029 3.453 1.00 0.00 O ATOM 291 CB VAL A 19 -2.303 -3.843 2.487 1.00 0.00 C ATOM 292 CG1 VAL A 19 -2.742 -2.463 2.943 1.00 0.00 C ATOM 293 CG2 VAL A 19 -0.784 -3.966 2.513 1.00 0.00 C ATOM 0 H VAL A 19 -1.613 -4.831 4.966 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.042 -4.854 3.300 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.635 -3.982 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.270 -1.706 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.826 -2.380 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.446 -2.311 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.345 -3.184 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.428 -3.860 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.491 -4.942 2.127 1.00 0.00 H new ATOM 303 N THR A 20 -3.046 -6.631 1.653 1.00 0.00 N ATOM 304 CA THR A 20 -2.655 -7.838 0.959 1.00 0.00 C ATOM 305 C THR A 20 -2.326 -7.503 -0.491 1.00 0.00 C ATOM 306 O THR A 20 -3.120 -6.864 -1.186 1.00 0.00 O ATOM 307 CB THR A 20 -3.763 -8.906 1.027 1.00 0.00 C ATOM 308 OG1 THR A 20 -4.135 -9.119 2.397 1.00 0.00 O ATOM 309 CG2 THR A 20 -3.293 -10.220 0.416 1.00 0.00 C ATOM 0 H THR A 20 -3.742 -6.072 1.160 1.00 0.00 H new ATOM 0 HA THR A 20 -1.772 -8.250 1.447 1.00 0.00 H new ATOM 0 HB THR A 20 -4.622 -8.551 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.841 -9.797 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.094 -10.957 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.025 -10.060 -0.629 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.423 -10.584 0.962 1.00 0.00 H new ATOM 317 N ILE A 21 -1.150 -7.917 -0.933 1.00 0.00 N ATOM 318 CA ILE A 21 -0.665 -7.565 -2.259 1.00 0.00 C ATOM 319 C ILE A 21 -1.485 -8.262 -3.337 1.00 0.00 C ATOM 320 O ILE A 21 -1.627 -9.485 -3.326 1.00 0.00 O ATOM 321 CB ILE A 21 0.821 -7.935 -2.418 1.00 0.00 C ATOM 322 CG1 ILE A 21 1.658 -7.279 -1.312 1.00 0.00 C ATOM 323 CG2 ILE A 21 1.332 -7.533 -3.790 1.00 0.00 C ATOM 324 CD1 ILE A 21 1.527 -5.771 -1.248 1.00 0.00 C ATOM 0 H ILE A 21 -0.511 -8.499 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.772 -6.486 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 21 0.917 -9.017 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.363 -7.700 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.706 -7.536 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.384 -7.804 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.757 -8.050 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.222 -6.456 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.150 -5.386 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.850 -5.337 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.487 -5.504 -1.063 1.00 0.00 H new ATOM 336 N GLN A 22 -2.028 -7.472 -4.256 1.00 0.00 N ATOM 337 CA GLN A 22 -2.917 -7.987 -5.293 1.00 0.00 C ATOM 338 C GLN A 22 -2.174 -8.199 -6.608 1.00 0.00 C ATOM 339 O GLN A 22 -2.383 -9.200 -7.289 1.00 0.00 O ATOM 340 CB GLN A 22 -4.092 -7.024 -5.509 1.00 0.00 C ATOM 341 CG GLN A 22 -4.956 -6.817 -4.273 1.00 0.00 C ATOM 342 CD GLN A 22 -5.668 -8.084 -3.834 1.00 0.00 C ATOM 343 OE1 GLN A 22 -6.785 -8.365 -4.267 1.00 0.00 O ATOM 344 NE2 GLN A 22 -5.030 -8.853 -2.965 1.00 0.00 N ATOM 0 H GLN A 22 -1.867 -6.466 -4.305 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.296 -8.952 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.703 -6.059 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.717 -7.404 -6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.332 -6.454 -3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.695 -6.043 -4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.105 -8.585 -2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.464 -9.713 -2.631 1.00 0.00 H new ATOM 353 N ASP A 23 -1.306 -7.257 -6.961 1.00 0.00 N ATOM 354 CA ASP A 23 -0.572 -7.334 -8.224 1.00 0.00 C ATOM 355 C ASP A 23 0.908 -7.033 -8.019 1.00 0.00 C ATOM 356 O ASP A 23 1.326 -6.647 -6.930 1.00 0.00 O ATOM 357 CB ASP A 23 -1.148 -6.356 -9.256 1.00 0.00 C ATOM 358 CG ASP A 23 -2.478 -6.801 -9.832 1.00 0.00 C ATOM 359 OD1 ASP A 23 -2.506 -7.827 -10.544 1.00 0.00 O ATOM 360 OD2 ASP A 23 -3.496 -6.108 -9.603 1.00 0.00 O ATOM 0 H ASP A 23 -1.093 -6.435 -6.396 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.680 -8.352 -8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.272 -5.379 -8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.432 -6.233 -10.068 1.00 0.00 H new ATOM 365 N ILE A 24 1.692 -7.203 -9.079 1.00 0.00 N ATOM 366 CA ILE A 24 3.122 -6.920 -9.043 1.00 0.00 C ATOM 367 C ILE A 24 3.465 -5.889 -10.111 1.00 0.00 C ATOM 368 O ILE A 24 3.006 -5.990 -11.251 1.00 0.00 O ATOM 369 CB ILE A 24 3.973 -8.196 -9.269 1.00 0.00 C ATOM 370 CG1 ILE A 24 3.729 -9.212 -8.150 1.00 0.00 C ATOM 371 CG2 ILE A 24 5.457 -7.853 -9.359 1.00 0.00 C ATOM 372 CD1 ILE A 24 4.139 -8.725 -6.773 1.00 0.00 C ATOM 0 H ILE A 24 1.356 -7.539 -9.982 1.00 0.00 H new ATOM 0 HA ILE A 24 3.357 -6.533 -8.052 1.00 0.00 H new ATOM 0 HB ILE A 24 3.667 -8.641 -10.216 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.670 -9.470 -8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.276 -10.127 -8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.032 -8.765 -9.518 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.623 -7.170 -10.192 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.778 -7.378 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.934 -9.502 -6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.204 -8.495 -6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.573 -7.828 -6.521 1.00 0.00 H new ATOM 384 N ALA A 25 4.252 -4.893 -9.738 1.00 0.00 N ATOM 385 CA ALA A 25 4.633 -3.840 -10.661 1.00 0.00 C ATOM 386 C ALA A 25 6.047 -4.056 -11.199 1.00 0.00 C ATOM 387 O ALA A 25 6.755 -4.966 -10.763 1.00 0.00 O ATOM 388 CB ALA A 25 4.508 -2.488 -9.986 1.00 0.00 C ATOM 0 H ALA A 25 4.640 -4.793 -8.800 1.00 0.00 H new ATOM 0 HA ALA A 25 3.955 -3.869 -11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.796 -1.704 -10.686 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.476 -2.332 -9.671 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.162 -2.455 -9.115 1.00 0.00 H new ATOM 442 N ASP A 29 7.404 -3.972 -7.237 1.00 0.00 N ATOM 443 CA ASP A 29 6.545 -3.397 -6.221 1.00 0.00 C ATOM 444 C ASP A 29 5.296 -4.244 -6.055 1.00 0.00 C ATOM 445 O ASP A 29 4.793 -4.817 -7.026 1.00 0.00 O ATOM 446 CB ASP A 29 6.162 -1.968 -6.609 1.00 0.00 C ATOM 447 CG ASP A 29 5.407 -1.257 -5.516 1.00 0.00 C ATOM 448 OD1 ASP A 29 4.194 -1.501 -5.374 1.00 0.00 O ATOM 449 OD2 ASP A 29 6.031 -0.447 -4.806 1.00 0.00 O ATOM 0 HA ASP A 29 7.083 -3.374 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.064 -1.405 -6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.552 -1.991 -7.512 1.00 0.00 H new ATOM 454 N GLY A 30 4.813 -4.335 -4.831 1.00 0.00 N ATOM 455 CA GLY A 30 3.602 -5.065 -4.566 1.00 0.00 C ATOM 456 C GLY A 30 2.410 -4.143 -4.527 1.00 0.00 C ATOM 457 O GLY A 30 2.277 -3.320 -3.621 1.00 0.00 O ATOM 0 H GLY A 30 5.244 -3.911 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.455 -5.823 -5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.691 -5.590 -3.615 1.00 0.00 H new ATOM 461 N ILE A 31 1.535 -4.292 -5.501 1.00 0.00 N ATOM 462 CA ILE A 31 0.391 -3.415 -5.635 1.00 0.00 C ATOM 463 C ILE A 31 -0.707 -3.811 -4.661 1.00 0.00 C ATOM 464 O ILE A 31 -1.405 -4.810 -4.854 1.00 0.00 O ATOM 465 CB ILE A 31 -0.157 -3.432 -7.078 1.00 0.00 C ATOM 466 CG1 ILE A 31 0.937 -2.996 -8.055 1.00 0.00 C ATOM 467 CG2 ILE A 31 -1.378 -2.527 -7.198 1.00 0.00 C ATOM 468 CD1 ILE A 31 0.529 -3.085 -9.509 1.00 0.00 C ATOM 0 H ILE A 31 1.596 -5.017 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 31 0.722 -2.403 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.464 -4.448 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.223 -1.969 -7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.820 -3.615 -7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.750 -2.552 -8.222 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.157 -2.875 -6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.101 -1.506 -6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.356 -2.760 -10.140 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.271 -4.116 -9.752 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.335 -2.444 -9.684 1.00 0.00 H new ATOM 480 N ALA A 32 -0.824 -3.043 -3.594 1.00 0.00 N ATOM 481 CA ALA A 32 -1.879 -3.235 -2.620 1.00 0.00 C ATOM 482 C ALA A 32 -2.920 -2.145 -2.790 1.00 0.00 C ATOM 483 O ALA A 32 -2.627 -0.967 -2.614 1.00 0.00 O ATOM 484 CB ALA A 32 -1.314 -3.224 -1.209 1.00 0.00 C ATOM 0 H ALA A 32 -0.192 -2.271 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.347 -4.206 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.122 -3.370 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.585 -4.028 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.829 -2.267 -1.019 1.00 0.00 H new ATOM 490 N ARG A 33 -4.129 -2.531 -3.149 1.00 0.00 N ATOM 491 CA ARG A 33 -5.168 -1.559 -3.421 1.00 0.00 C ATOM 492 C ARG A 33 -6.198 -1.556 -2.305 1.00 0.00 C ATOM 493 O ARG A 33 -6.594 -2.613 -1.807 1.00 0.00 O ATOM 494 CB ARG A 33 -5.839 -1.851 -4.765 1.00 0.00 C ATOM 495 CG ARG A 33 -6.563 -3.186 -4.814 1.00 0.00 C ATOM 496 CD ARG A 33 -7.163 -3.442 -6.182 1.00 0.00 C ATOM 497 NE ARG A 33 -8.030 -4.615 -6.180 1.00 0.00 N ATOM 498 CZ ARG A 33 -8.250 -5.381 -7.243 1.00 0.00 C ATOM 499 NH1 ARG A 33 -7.603 -5.153 -8.380 1.00 0.00 N ATOM 500 NH2 ARG A 33 -9.097 -6.395 -7.157 1.00 0.00 N ATOM 0 H ARG A 33 -4.414 -3.504 -3.258 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.709 -0.572 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.550 -1.055 -4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.083 -1.830 -5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.868 -3.988 -4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.351 -3.202 -4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.733 -2.569 -6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.364 -3.582 -6.910 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.497 -4.863 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.933 -4.386 -8.441 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.776 -5.745 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.577 -6.585 -6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.269 -6.986 -7.970 1.00 0.00 H new ATOM 514 N ILE A 34 -6.602 -0.368 -1.895 1.00 0.00 N ATOM 515 CA ILE A 34 -7.657 -0.216 -0.914 1.00 0.00 C ATOM 516 C ILE A 34 -8.753 0.668 -1.478 1.00 0.00 C ATOM 517 O ILE A 34 -8.510 1.824 -1.826 1.00 0.00 O ATOM 518 CB ILE A 34 -7.139 0.378 0.411 1.00 0.00 C ATOM 519 CG1 ILE A 34 -6.156 -0.589 1.072 1.00 0.00 C ATOM 520 CG2 ILE A 34 -8.300 0.681 1.351 1.00 0.00 C ATOM 521 CD1 ILE A 34 -5.624 -0.102 2.400 1.00 0.00 C ATOM 0 H ILE A 34 -6.211 0.512 -2.231 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.050 -1.209 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.620 1.312 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.649 -1.550 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.318 -0.760 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.915 1.100 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.971 1.399 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.845 -0.239 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.933 -0.840 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.102 0.844 2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.453 0.042 3.093 1.00 0.00 H new ATOM 533 N GLU A 35 -9.943 0.092 -1.597 1.00 0.00 N ATOM 534 CA GLU A 35 -11.111 0.791 -2.133 1.00 0.00 C ATOM 535 C GLU A 35 -10.845 1.275 -3.566 1.00 0.00 C ATOM 536 O GLU A 35 -11.437 2.252 -4.028 1.00 0.00 O ATOM 537 CB GLU A 35 -11.480 1.968 -1.220 1.00 0.00 C ATOM 538 CG GLU A 35 -12.958 2.036 -0.862 1.00 0.00 C ATOM 539 CD GLU A 35 -13.841 2.312 -2.058 1.00 0.00 C ATOM 540 OE1 GLU A 35 -14.075 3.500 -2.367 1.00 0.00 O ATOM 541 OE2 GLU A 35 -14.304 1.348 -2.698 1.00 0.00 O ATOM 0 H GLU A 35 -10.129 -0.873 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.951 0.097 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.897 1.898 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.192 2.898 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.259 1.094 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.111 2.816 -0.116 1.00 0.00 H new ATOM 548 N GLY A 36 -9.957 0.578 -4.268 1.00 0.00 N ATOM 549 CA GLY A 36 -9.648 0.928 -5.639 1.00 0.00 C ATOM 550 C GLY A 36 -8.386 1.761 -5.762 1.00 0.00 C ATOM 551 O GLY A 36 -7.754 1.790 -6.820 1.00 0.00 O ATOM 0 H GLY A 36 -9.444 -0.227 -3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.535 0.016 -6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.485 1.480 -6.066 1.00 0.00 H new ATOM 555 N PHE A 37 -8.010 2.434 -4.682 1.00 0.00 N ATOM 556 CA PHE A 37 -6.840 3.297 -4.690 1.00 0.00 C ATOM 557 C PHE A 37 -5.568 2.458 -4.645 1.00 0.00 C ATOM 558 O PHE A 37 -5.437 1.558 -3.812 1.00 0.00 O ATOM 559 CB PHE A 37 -6.886 4.265 -3.509 1.00 0.00 C ATOM 560 CG PHE A 37 -5.915 5.403 -3.625 1.00 0.00 C ATOM 561 CD1 PHE A 37 -6.222 6.511 -4.398 1.00 0.00 C ATOM 562 CD2 PHE A 37 -4.700 5.367 -2.964 1.00 0.00 C ATOM 563 CE1 PHE A 37 -5.333 7.561 -4.511 1.00 0.00 C ATOM 564 CE2 PHE A 37 -3.808 6.415 -3.073 1.00 0.00 C ATOM 565 CZ PHE A 37 -4.125 7.513 -3.849 1.00 0.00 C ATOM 0 H PHE A 37 -8.501 2.397 -3.789 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.839 3.879 -5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.895 4.667 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.680 3.715 -2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.168 6.554 -4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.447 4.511 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.584 8.419 -5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.863 6.376 -2.552 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.427 8.333 -3.937 1.00 0.00 H new ATOM 575 N VAL A 38 -4.638 2.757 -5.545 1.00 0.00 N ATOM 576 CA VAL A 38 -3.413 1.981 -5.670 1.00 0.00 C ATOM 577 C VAL A 38 -2.332 2.475 -4.712 1.00 0.00 C ATOM 578 O VAL A 38 -1.944 3.646 -4.736 1.00 0.00 O ATOM 579 CB VAL A 38 -2.872 2.023 -7.115 1.00 0.00 C ATOM 580 CG1 VAL A 38 -1.594 1.209 -7.237 1.00 0.00 C ATOM 581 CG2 VAL A 38 -3.921 1.517 -8.093 1.00 0.00 C ATOM 0 H VAL A 38 -4.711 3.535 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.665 0.953 -5.411 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.641 3.059 -7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.231 1.253 -8.264 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.837 1.617 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.796 0.172 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.521 1.554 -9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.185 0.489 -7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.810 2.145 -8.030 1.00 0.00 H new ATOM 591 N ILE A 39 -1.865 1.573 -3.863 1.00 0.00 N ATOM 592 CA ILE A 39 -0.759 1.847 -2.962 1.00 0.00 C ATOM 593 C ILE A 39 0.420 0.959 -3.333 1.00 0.00 C ATOM 594 O ILE A 39 0.244 -0.239 -3.560 1.00 0.00 O ATOM 595 CB ILE A 39 -1.154 1.578 -1.495 1.00 0.00 C ATOM 596 CG1 ILE A 39 -2.458 2.304 -1.156 1.00 0.00 C ATOM 597 CG2 ILE A 39 -0.039 2.018 -0.555 1.00 0.00 C ATOM 598 CD1 ILE A 39 -3.025 1.927 0.194 1.00 0.00 C ATOM 0 H ILE A 39 -2.243 0.629 -3.780 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.489 2.899 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.309 0.507 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.283 3.380 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.198 2.084 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.333 1.821 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.871 1.463 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.145 3.085 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.948 2.479 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.232 0.857 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.303 2.172 0.973 1.00 0.00 H new ATOM 610 N PHE A 40 1.607 1.540 -3.414 1.00 0.00 N ATOM 611 CA PHE A 40 2.790 0.789 -3.805 1.00 0.00 C ATOM 612 C PHE A 40 3.596 0.356 -2.586 1.00 0.00 C ATOM 613 O PHE A 40 3.892 1.166 -1.697 1.00 0.00 O ATOM 614 CB PHE A 40 3.661 1.617 -4.756 1.00 0.00 C ATOM 615 CG PHE A 40 2.998 1.918 -6.073 1.00 0.00 C ATOM 616 CD1 PHE A 40 3.056 1.003 -7.114 1.00 0.00 C ATOM 617 CD2 PHE A 40 2.317 3.107 -6.268 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.449 1.272 -8.327 1.00 0.00 C ATOM 619 CE2 PHE A 40 1.709 3.382 -7.479 1.00 0.00 C ATOM 620 CZ PHE A 40 1.774 2.462 -8.509 1.00 0.00 C ATOM 0 H PHE A 40 1.777 2.526 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 40 2.460 -0.110 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.925 2.556 -4.269 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.592 1.081 -4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.581 0.070 -6.975 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.260 3.828 -5.466 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.503 0.552 -9.130 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.184 4.315 -7.620 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.297 2.674 -9.455 1.00 0.00 H new ATOM 630 N VAL A 41 3.932 -0.929 -2.548 1.00 0.00 N ATOM 631 CA VAL A 41 4.725 -1.501 -1.467 1.00 0.00 C ATOM 632 C VAL A 41 5.883 -2.317 -2.047 1.00 0.00 C ATOM 633 O VAL A 41 5.730 -3.500 -2.363 1.00 0.00 O ATOM 634 CB VAL A 41 3.878 -2.406 -0.543 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.709 -2.898 0.635 1.00 0.00 C ATOM 636 CG2 VAL A 41 2.636 -1.671 -0.054 1.00 0.00 C ATOM 0 H VAL A 41 3.662 -1.602 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 41 5.108 -0.673 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 41 3.554 -3.272 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.095 -3.533 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.561 -3.469 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.067 -2.044 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.056 -2.328 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.934 -0.783 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.028 -1.376 -0.909 1.00 0.00 H new ATOM 646 N PRO A 42 7.053 -1.686 -2.201 1.00 0.00 N ATOM 647 CA PRO A 42 8.216 -2.301 -2.854 1.00 0.00 C ATOM 648 C PRO A 42 8.739 -3.536 -2.121 1.00 0.00 C ATOM 649 O PRO A 42 8.980 -3.499 -0.913 1.00 0.00 O ATOM 650 CB PRO A 42 9.277 -1.191 -2.836 1.00 0.00 C ATOM 651 CG PRO A 42 8.523 0.072 -2.593 1.00 0.00 C ATOM 652 CD PRO A 42 7.334 -0.311 -1.762 1.00 0.00 C ATOM 0 HA PRO A 42 7.959 -2.657 -3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.015 -1.365 -2.053 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.819 -1.150 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.143 0.803 -2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.212 0.528 -3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.555 -0.265 -0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.487 0.351 -1.941 1.00 0.00 H new ATOM 660 N GLY A 43 8.913 -4.625 -2.863 1.00 0.00 N ATOM 661 CA GLY A 43 9.516 -5.820 -2.305 1.00 0.00 C ATOM 662 C GLY A 43 8.518 -6.759 -1.662 1.00 0.00 C ATOM 663 O GLY A 43 8.708 -7.190 -0.526 1.00 0.00 O ATOM 0 H GLY A 43 8.646 -4.700 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.046 -6.352 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.259 -5.529 -1.562 1.00 0.00 H new ATOM 667 N THR A 44 7.457 -7.086 -2.381 1.00 0.00 N ATOM 668 CA THR A 44 6.462 -8.021 -1.882 1.00 0.00 C ATOM 669 C THR A 44 5.992 -8.959 -2.996 1.00 0.00 C ATOM 670 O THR A 44 6.482 -8.885 -4.124 1.00 0.00 O ATOM 671 CB THR A 44 5.254 -7.281 -1.278 1.00 0.00 C ATOM 672 OG1 THR A 44 4.860 -6.209 -2.137 1.00 0.00 O ATOM 673 CG2 THR A 44 5.564 -6.737 0.111 1.00 0.00 C ATOM 0 H THR A 44 7.262 -6.718 -3.312 1.00 0.00 H new ATOM 0 HA THR A 44 6.933 -8.612 -1.096 1.00 0.00 H new ATOM 0 HB THR A 44 4.439 -7.998 -1.185 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.406 -5.418 -1.945 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.688 -6.222 0.504 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.828 -7.561 0.774 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.399 -6.039 0.050 1.00 0.00 H new ATOM 681 N LYS A 45 5.058 -9.844 -2.672 1.00 0.00 N ATOM 682 CA LYS A 45 4.527 -10.796 -3.637 1.00 0.00 C ATOM 683 C LYS A 45 3.004 -10.837 -3.549 1.00 0.00 C ATOM 684 O LYS A 45 2.432 -10.535 -2.502 1.00 0.00 O ATOM 685 CB LYS A 45 5.101 -12.191 -3.358 1.00 0.00 C ATOM 686 CG LYS A 45 4.564 -13.275 -4.278 1.00 0.00 C ATOM 687 CD LYS A 45 4.860 -14.676 -3.754 1.00 0.00 C ATOM 688 CE LYS A 45 3.991 -15.052 -2.555 1.00 0.00 C ATOM 689 NZ LYS A 45 4.417 -14.381 -1.298 1.00 0.00 N ATOM 0 H LYS A 45 4.650 -9.922 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 45 4.815 -10.482 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.186 -12.152 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.882 -12.463 -2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.487 -13.152 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.004 -13.159 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.702 -15.400 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.911 -14.739 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.955 -14.790 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.024 -16.132 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.189 -14.989 -0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.443 -14.211 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.918 -13.473 -1.203 1.00 0.00 H new ATOM 703 N VAL A 46 2.353 -11.201 -4.648 1.00 0.00 N ATOM 704 CA VAL A 46 0.906 -11.380 -4.656 1.00 0.00 C ATOM 705 C VAL A 46 0.507 -12.432 -3.627 1.00 0.00 C ATOM 706 O VAL A 46 0.905 -13.595 -3.725 1.00 0.00 O ATOM 707 CB VAL A 46 0.390 -11.816 -6.043 1.00 0.00 C ATOM 708 CG1 VAL A 46 -1.129 -11.867 -6.062 1.00 0.00 C ATOM 709 CG2 VAL A 46 0.907 -10.890 -7.129 1.00 0.00 C ATOM 0 H VAL A 46 2.805 -11.378 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 46 0.457 -10.418 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 46 0.768 -12.819 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.470 -12.177 -7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.478 -12.582 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.529 -10.879 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.529 -11.218 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.567 -9.873 -6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.997 -10.913 -7.138 1.00 0.00 H new ATOM 719 N GLY A 47 -0.259 -12.015 -2.637 1.00 0.00 N ATOM 720 CA GLY A 47 -0.661 -12.918 -1.581 1.00 0.00 C ATOM 721 C GLY A 47 -0.089 -12.522 -0.234 1.00 0.00 C ATOM 722 O GLY A 47 -0.560 -12.986 0.804 1.00 0.00 O ATOM 0 H GLY A 47 -0.612 -11.063 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.749 -12.939 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.336 -13.929 -1.828 1.00 0.00 H new ATOM 726 N ASP A 48 0.927 -11.664 -0.243 1.00 0.00 N ATOM 727 CA ASP A 48 1.538 -11.198 1.000 1.00 0.00 C ATOM 728 C ASP A 48 0.574 -10.324 1.785 1.00 0.00 C ATOM 729 O ASP A 48 0.172 -9.251 1.325 1.00 0.00 O ATOM 730 CB ASP A 48 2.827 -10.412 0.733 1.00 0.00 C ATOM 731 CG ASP A 48 4.045 -11.298 0.567 1.00 0.00 C ATOM 732 OD1 ASP A 48 4.218 -11.878 -0.520 1.00 0.00 O ATOM 733 OD2 ASP A 48 4.849 -11.400 1.519 1.00 0.00 O ATOM 0 H ASP A 48 1.343 -11.279 -1.091 1.00 0.00 H new ATOM 0 HA ASP A 48 1.782 -12.084 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.698 -9.811 -0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.999 -9.719 1.557 1.00 0.00 H new ATOM 738 N GLU A 49 0.194 -10.798 2.962 1.00 0.00 N ATOM 739 CA GLU A 49 -0.633 -10.024 3.871 1.00 0.00 C ATOM 740 C GLU A 49 0.240 -9.399 4.954 1.00 0.00 C ATOM 741 O GLU A 49 0.501 -10.002 5.994 1.00 0.00 O ATOM 742 CB GLU A 49 -1.752 -10.884 4.486 1.00 0.00 C ATOM 743 CG GLU A 49 -1.539 -12.394 4.374 1.00 0.00 C ATOM 744 CD GLU A 49 -0.379 -12.902 5.207 1.00 0.00 C ATOM 745 OE1 GLU A 49 -0.590 -13.218 6.398 1.00 0.00 O ATOM 746 OE2 GLU A 49 0.747 -12.995 4.675 1.00 0.00 O ATOM 0 H GLU A 49 0.448 -11.722 3.310 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.118 -9.228 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.853 -10.623 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.695 -10.628 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.450 -12.906 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.367 -12.653 3.329 1.00 0.00 H new ATOM 753 N VAL A 50 0.706 -8.191 4.683 1.00 0.00 N ATOM 754 CA VAL A 50 1.645 -7.516 5.567 1.00 0.00 C ATOM 755 C VAL A 50 1.080 -6.194 6.061 1.00 0.00 C ATOM 756 O VAL A 50 0.058 -5.715 5.559 1.00 0.00 O ATOM 757 CB VAL A 50 2.999 -7.252 4.868 1.00 0.00 C ATOM 758 CG1 VAL A 50 3.689 -8.559 4.514 1.00 0.00 C ATOM 759 CG2 VAL A 50 2.807 -6.395 3.625 1.00 0.00 C ATOM 0 H VAL A 50 0.449 -7.655 3.854 1.00 0.00 H new ATOM 0 HA VAL A 50 1.808 -8.182 6.415 1.00 0.00 H new ATOM 0 HB VAL A 50 3.637 -6.707 5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.639 -8.348 4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.870 -9.133 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.054 -9.135 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.772 -6.222 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.146 -6.909 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.365 -5.439 3.907 1.00 0.00 H new ATOM 769 N ARG A 51 1.747 -5.604 7.039 1.00 0.00 N ATOM 770 CA ARG A 51 1.330 -4.319 7.565 1.00 0.00 C ATOM 771 C ARG A 51 2.221 -3.233 6.999 1.00 0.00 C ATOM 772 O ARG A 51 3.449 -3.328 7.041 1.00 0.00 O ATOM 773 CB ARG A 51 1.379 -4.313 9.091 1.00 0.00 C ATOM 774 CG ARG A 51 0.674 -5.507 9.701 1.00 0.00 C ATOM 775 CD ARG A 51 0.701 -5.479 11.219 1.00 0.00 C ATOM 776 NE ARG A 51 -0.289 -4.555 11.768 1.00 0.00 N ATOM 777 CZ ARG A 51 -0.332 -4.183 13.046 1.00 0.00 C ATOM 778 NH1 ARG A 51 0.524 -4.694 13.921 1.00 0.00 N ATOM 779 NH2 ARG A 51 -1.257 -3.326 13.461 1.00 0.00 N ATOM 0 H ARG A 51 2.578 -5.995 7.483 1.00 0.00 H new ATOM 0 HA ARG A 51 0.299 -4.131 7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.419 -4.304 9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.920 -3.396 9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.361 -5.529 9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.146 -6.424 9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.513 -6.482 11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.695 -5.189 11.558 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.990 -4.172 11.134 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.219 -5.375 13.616 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.487 -4.406 14.899 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.937 -2.951 12.800 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.287 -3.043 14.441 1.00 0.00 H new ATOM 793 N ILE A 52 1.600 -2.217 6.450 1.00 0.00 N ATOM 794 CA ILE A 52 2.335 -1.147 5.805 1.00 0.00 C ATOM 795 C ILE A 52 1.928 0.205 6.353 1.00 0.00 C ATOM 796 O ILE A 52 0.796 0.392 6.797 1.00 0.00 O ATOM 797 CB ILE A 52 2.141 -1.164 4.266 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.654 -1.121 3.878 1.00 0.00 C ATOM 799 CG2 ILE A 52 2.805 -2.394 3.667 1.00 0.00 C ATOM 800 CD1 ILE A 52 0.072 0.275 3.762 1.00 0.00 C ATOM 0 H ILE A 52 0.586 -2.105 6.435 1.00 0.00 H new ATOM 0 HA ILE A 52 3.390 -1.315 6.022 1.00 0.00 H new ATOM 0 HB ILE A 52 2.613 -0.268 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.526 -1.634 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.082 -1.678 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.662 -2.395 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.871 -2.378 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.358 -3.292 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.980 0.209 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.164 0.788 4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.614 0.833 2.998 1.00 0.00 H new ATOM 812 N LYS A 53 2.855 1.137 6.337 1.00 0.00 N ATOM 813 CA LYS A 53 2.548 2.505 6.687 1.00 0.00 C ATOM 814 C LYS A 53 2.525 3.349 5.428 1.00 0.00 C ATOM 815 O LYS A 53 3.536 3.446 4.727 1.00 0.00 O ATOM 816 CB LYS A 53 3.578 3.085 7.660 1.00 0.00 C ATOM 817 CG LYS A 53 3.312 4.547 7.995 1.00 0.00 C ATOM 818 CD LYS A 53 4.530 5.226 8.594 1.00 0.00 C ATOM 819 CE LYS A 53 4.298 6.714 8.777 1.00 0.00 C ATOM 820 NZ LYS A 53 5.556 7.439 9.087 1.00 0.00 N ATOM 0 H LYS A 53 3.829 0.972 6.085 1.00 0.00 H new ATOM 0 HA LYS A 53 1.574 2.517 7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.573 2.499 8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.574 2.991 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.010 5.076 7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.480 4.612 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.766 4.772 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.393 5.067 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.856 7.126 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.580 6.873 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.433 7.990 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.329 6.755 9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.789 8.081 8.303 1.00 0.00 H new ATOM 834 N VAL A 54 1.381 3.941 5.133 1.00 0.00 N ATOM 835 CA VAL A 54 1.310 4.909 4.060 1.00 0.00 C ATOM 836 C VAL A 54 2.073 6.141 4.502 1.00 0.00 C ATOM 837 O VAL A 54 1.629 6.883 5.386 1.00 0.00 O ATOM 838 CB VAL A 54 -0.142 5.276 3.686 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.166 6.383 2.640 1.00 0.00 C ATOM 840 CG2 VAL A 54 -0.880 4.050 3.177 1.00 0.00 C ATOM 0 H VAL A 54 0.500 3.769 5.617 1.00 0.00 H new ATOM 0 HA VAL A 54 1.750 4.476 3.162 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.646 5.641 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.199 6.626 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.330 7.269 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.354 6.047 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.903 4.323 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.373 3.660 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.895 3.286 3.954 1.00 0.00 H new ATOM 850 N GLU A 55 3.247 6.305 3.916 1.00 0.00 N ATOM 851 CA GLU A 55 4.204 7.299 4.354 1.00 0.00 C ATOM 852 C GLU A 55 3.896 8.645 3.716 1.00 0.00 C ATOM 853 O GLU A 55 4.046 9.694 4.342 1.00 0.00 O ATOM 854 CB GLU A 55 5.609 6.824 3.975 1.00 0.00 C ATOM 855 CG GLU A 55 6.736 7.643 4.571 1.00 0.00 C ATOM 856 CD GLU A 55 6.723 7.647 6.085 1.00 0.00 C ATOM 857 OE1 GLU A 55 7.007 6.597 6.695 1.00 0.00 O ATOM 858 OE2 GLU A 55 6.427 8.698 6.678 1.00 0.00 O ATOM 0 H GLU A 55 3.561 5.749 3.121 1.00 0.00 H new ATOM 0 HA GLU A 55 4.143 7.424 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.725 5.787 4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.702 6.839 2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.690 7.248 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.664 8.669 4.209 1.00 0.00 H new ATOM 865 N ARG A 56 3.446 8.600 2.470 1.00 0.00 N ATOM 866 CA ARG A 56 3.115 9.805 1.728 1.00 0.00 C ATOM 867 C ARG A 56 2.123 9.487 0.622 1.00 0.00 C ATOM 868 O ARG A 56 2.109 8.375 0.089 1.00 0.00 O ATOM 869 CB ARG A 56 4.381 10.433 1.142 1.00 0.00 C ATOM 870 CG ARG A 56 5.167 9.509 0.227 1.00 0.00 C ATOM 871 CD ARG A 56 6.565 10.043 -0.024 1.00 0.00 C ATOM 872 NE ARG A 56 7.325 10.164 1.219 1.00 0.00 N ATOM 873 CZ ARG A 56 8.370 9.400 1.535 1.00 0.00 C ATOM 874 NH1 ARG A 56 8.819 8.492 0.676 1.00 0.00 N ATOM 875 NH2 ARG A 56 8.972 9.563 2.708 1.00 0.00 N ATOM 0 H ARG A 56 3.301 7.735 1.950 1.00 0.00 H new ATOM 0 HA ARG A 56 2.657 10.520 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.105 11.329 0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.027 10.752 1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.229 8.517 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.641 9.399 -0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.091 9.379 -0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.502 11.017 -0.509 1.00 0.00 H new ATOM 0 HE ARG A 56 7.037 10.879 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.364 8.377 -0.230 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.619 7.909 0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.634 10.270 3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.772 8.981 2.956 1.00 0.00 H new ATOM 889 N VAL A 57 1.291 10.457 0.284 1.00 0.00 N ATOM 890 CA VAL A 57 0.291 10.266 -0.752 1.00 0.00 C ATOM 891 C VAL A 57 0.474 11.274 -1.876 1.00 0.00 C ATOM 892 O VAL A 57 0.789 12.441 -1.639 1.00 0.00 O ATOM 893 CB VAL A 57 -1.152 10.367 -0.195 1.00 0.00 C ATOM 894 CG1 VAL A 57 -1.423 9.251 0.804 1.00 0.00 C ATOM 895 CG2 VAL A 57 -1.401 11.725 0.445 1.00 0.00 C ATOM 0 H VAL A 57 1.288 11.383 0.711 1.00 0.00 H new ATOM 0 HA VAL A 57 0.434 9.259 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.840 10.257 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.441 9.341 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.302 8.286 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.720 9.326 1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.421 11.766 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.700 11.874 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.260 12.509 -0.299 1.00 0.00 H new ATOM 905 N LEU A 58 0.318 10.804 -3.098 1.00 0.00 N ATOM 906 CA LEU A 58 0.347 11.663 -4.264 1.00 0.00 C ATOM 907 C LEU A 58 -1.058 11.729 -4.852 1.00 0.00 C ATOM 908 O LEU A 58 -1.866 10.832 -4.615 1.00 0.00 O ATOM 909 CB LEU A 58 1.349 11.145 -5.314 1.00 0.00 C ATOM 910 CG LEU A 58 2.833 11.255 -4.932 1.00 0.00 C ATOM 911 CD1 LEU A 58 3.228 10.177 -3.933 1.00 0.00 C ATOM 912 CD2 LEU A 58 3.710 11.179 -6.171 1.00 0.00 C ATOM 0 H LEU A 58 0.168 9.818 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 58 0.675 12.660 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.123 10.099 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.190 11.694 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 58 2.984 12.224 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.284 10.282 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.629 10.282 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.055 9.194 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.758 11.259 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.545 10.227 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.457 11.997 -6.846 1.00 0.00 H new ATOM 924 N PRO A 59 -1.367 12.779 -5.627 1.00 0.00 N ATOM 925 CA PRO A 59 -2.713 12.995 -6.196 1.00 0.00 C ATOM 926 C PRO A 59 -3.219 11.857 -7.098 1.00 0.00 C ATOM 927 O PRO A 59 -4.339 11.925 -7.610 1.00 0.00 O ATOM 928 CB PRO A 59 -2.548 14.275 -7.022 1.00 0.00 C ATOM 929 CG PRO A 59 -1.367 14.962 -6.430 1.00 0.00 C ATOM 930 CD PRO A 59 -0.444 13.870 -5.983 1.00 0.00 C ATOM 0 HA PRO A 59 -3.455 13.050 -5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.386 14.047 -8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.439 14.900 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.883 15.609 -7.162 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.661 15.594 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.244 13.574 -6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.163 14.178 -5.132 1.00 0.00 H new ATOM 938 N LYS A 60 -2.408 10.823 -7.303 1.00 0.00 N ATOM 939 CA LYS A 60 -2.814 9.710 -8.156 1.00 0.00 C ATOM 940 C LYS A 60 -2.524 8.347 -7.509 1.00 0.00 C ATOM 941 O LYS A 60 -3.091 7.332 -7.919 1.00 0.00 O ATOM 942 CB LYS A 60 -2.118 9.812 -9.518 1.00 0.00 C ATOM 943 CG LYS A 60 -2.667 8.850 -10.562 1.00 0.00 C ATOM 944 CD LYS A 60 -2.077 9.121 -11.937 1.00 0.00 C ATOM 945 CE LYS A 60 -2.669 8.197 -12.992 1.00 0.00 C ATOM 946 NZ LYS A 60 -2.169 8.521 -14.354 1.00 0.00 N ATOM 0 H LYS A 60 -1.477 10.732 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.893 9.778 -8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.216 10.832 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.053 9.622 -9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.445 7.825 -10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.752 8.941 -10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.263 10.158 -12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.996 8.989 -11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.421 7.163 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.756 8.276 -12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.595 7.870 -15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.428 9.499 -14.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.134 8.421 -14.377 1.00 0.00 H new ATOM 960 N PHE A 61 -1.670 8.324 -6.485 1.00 0.00 N ATOM 961 CA PHE A 61 -1.261 7.064 -5.855 1.00 0.00 C ATOM 962 C PHE A 61 -0.505 7.327 -4.556 1.00 0.00 C ATOM 963 O PHE A 61 -0.008 8.427 -4.334 1.00 0.00 O ATOM 964 CB PHE A 61 -0.391 6.234 -6.812 1.00 0.00 C ATOM 965 CG PHE A 61 0.847 6.939 -7.299 1.00 0.00 C ATOM 966 CD1 PHE A 61 2.034 6.861 -6.585 1.00 0.00 C ATOM 967 CD2 PHE A 61 0.825 7.674 -8.475 1.00 0.00 C ATOM 968 CE1 PHE A 61 3.172 7.499 -7.035 1.00 0.00 C ATOM 969 CE2 PHE A 61 1.961 8.316 -8.929 1.00 0.00 C ATOM 970 CZ PHE A 61 3.135 8.228 -8.207 1.00 0.00 C ATOM 0 H PHE A 61 -1.249 9.157 -6.075 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.163 6.498 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.096 5.313 -6.309 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.993 5.947 -7.674 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.068 6.294 -5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.091 7.745 -9.043 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.090 7.428 -6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.931 8.885 -9.846 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.024 8.729 -8.559 1.00 0.00 H new ATOM 980 N ALA A 62 -0.418 6.315 -3.702 1.00 0.00 N ATOM 981 CA ALA A 62 0.230 6.467 -2.406 1.00 0.00 C ATOM 982 C ALA A 62 1.483 5.608 -2.304 1.00 0.00 C ATOM 983 O ALA A 62 1.588 4.563 -2.949 1.00 0.00 O ATOM 984 CB ALA A 62 -0.737 6.118 -1.283 1.00 0.00 C ATOM 0 H ALA A 62 -0.787 5.382 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 62 0.529 7.511 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.237 6.237 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.601 6.782 -1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.067 5.085 -1.395 1.00 0.00 H new ATOM 990 N PHE A 63 2.427 6.055 -1.485 1.00 0.00 N ATOM 991 CA PHE A 63 3.665 5.327 -1.258 1.00 0.00 C ATOM 992 C PHE A 63 3.692 4.808 0.174 1.00 0.00 C ATOM 993 O PHE A 63 3.460 5.568 1.118 1.00 0.00 O ATOM 994 CB PHE A 63 4.871 6.239 -1.505 1.00 0.00 C ATOM 995 CG PHE A 63 6.183 5.510 -1.559 1.00 0.00 C ATOM 996 CD1 PHE A 63 6.583 4.874 -2.721 1.00 0.00 C ATOM 997 CD2 PHE A 63 7.015 5.464 -0.451 1.00 0.00 C ATOM 998 CE1 PHE A 63 7.789 4.204 -2.778 1.00 0.00 C ATOM 999 CE2 PHE A 63 8.222 4.797 -0.502 1.00 0.00 C ATOM 1000 CZ PHE A 63 8.610 4.164 -1.667 1.00 0.00 C ATOM 0 H PHE A 63 2.355 6.928 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 63 3.717 4.487 -1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.724 6.773 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.915 6.989 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.945 4.902 -3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.715 5.956 0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.091 3.711 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.862 4.770 0.367 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.553 3.639 -1.709 1.00 0.00 H new ATOM 1010 N ALA A 64 3.963 3.523 0.340 1.00 0.00 N ATOM 1011 CA ALA A 64 3.949 2.923 1.661 1.00 0.00 C ATOM 1012 C ALA A 64 5.228 2.152 1.947 1.00 0.00 C ATOM 1013 O ALA A 64 5.867 1.616 1.043 1.00 0.00 O ATOM 1014 CB ALA A 64 2.741 2.010 1.807 1.00 0.00 C ATOM 0 H ALA A 64 4.193 2.881 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 64 3.883 3.731 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.740 1.565 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.828 2.589 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.788 1.221 1.056 1.00 0.00 H new ATOM 1020 N SER A 65 5.600 2.115 3.218 1.00 0.00 N ATOM 1021 CA SER A 65 6.743 1.338 3.658 1.00 0.00 C ATOM 1022 C SER A 65 6.253 0.143 4.474 1.00 0.00 C ATOM 1023 O SER A 65 5.357 0.282 5.312 1.00 0.00 O ATOM 1024 CB SER A 65 7.693 2.210 4.492 1.00 0.00 C ATOM 1025 OG SER A 65 8.902 1.528 4.794 1.00 0.00 O ATOM 0 H SER A 65 5.122 2.618 3.965 1.00 0.00 H new ATOM 0 HA SER A 65 7.293 0.977 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.918 3.127 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.199 2.503 5.418 1.00 0.00 H new ATOM 0 HG SER A 65 9.484 2.112 5.324 1.00 0.00 H new ATOM 1031 N VAL A 66 6.827 -1.023 4.219 1.00 0.00 N ATOM 1032 CA VAL A 66 6.398 -2.244 4.887 1.00 0.00 C ATOM 1033 C VAL A 66 7.045 -2.372 6.267 1.00 0.00 C ATOM 1034 O VAL A 66 8.269 -2.352 6.405 1.00 0.00 O ATOM 1035 CB VAL A 66 6.697 -3.498 4.026 1.00 0.00 C ATOM 1036 CG1 VAL A 66 8.171 -3.581 3.653 1.00 0.00 C ATOM 1037 CG2 VAL A 66 6.250 -4.765 4.739 1.00 0.00 C ATOM 0 H VAL A 66 7.591 -1.150 3.555 1.00 0.00 H new ATOM 0 HA VAL A 66 5.318 -2.180 5.020 1.00 0.00 H new ATOM 0 HB VAL A 66 6.126 -3.405 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.344 -4.472 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.452 -2.696 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.773 -3.634 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.471 -5.631 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.781 -4.856 5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.177 -4.717 4.927 1.00 0.00 H new ATOM 1047 N VAL A 67 6.209 -2.495 7.289 1.00 0.00 N ATOM 1048 CA VAL A 67 6.684 -2.600 8.662 1.00 0.00 C ATOM 1049 C VAL A 67 6.506 -4.022 9.185 1.00 0.00 C ATOM 1050 O VAL A 67 6.353 -4.241 10.390 1.00 0.00 O ATOM 1051 CB VAL A 67 5.964 -1.598 9.595 1.00 0.00 C ATOM 1052 CG1 VAL A 67 6.285 -0.168 9.191 1.00 0.00 C ATOM 1053 CG2 VAL A 67 4.460 -1.824 9.595 1.00 0.00 C ATOM 0 H VAL A 67 5.194 -2.525 7.192 1.00 0.00 H new ATOM 0 HA VAL A 67 7.745 -2.352 8.658 1.00 0.00 H new ATOM 0 HB VAL A 67 6.328 -1.766 10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.770 0.523 9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.360 -0.004 9.258 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.955 0.003 8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.984 -1.104 10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.073 -1.695 8.584 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.244 -2.835 9.940 1.00 0.00 H new ATOM 1063 N GLU A 68 6.548 -4.976 8.254 1.00 0.00 N ATOM 1064 CA GLU A 68 6.471 -6.409 8.558 1.00 0.00 C ATOM 1065 C GLU A 68 5.074 -6.799 9.039 1.00 0.00 C ATOM 1066 O GLU A 68 4.935 -7.202 10.215 1.00 0.00 O ATOM 1067 CB GLU A 68 7.524 -6.804 9.605 1.00 0.00 C ATOM 1068 CG GLU A 68 8.934 -6.358 9.252 1.00 0.00 C ATOM 1069 CD GLU A 68 9.926 -6.622 10.361 1.00 0.00 C ATOM 1070 OE1 GLU A 68 9.669 -6.197 11.509 1.00 0.00 O ATOM 1071 OE2 GLU A 68 10.978 -7.234 10.087 1.00 0.00 O ATOM 1072 OXT GLU A 68 4.119 -6.694 8.241 1.00 0.00 O ATOM 0 H GLU A 68 6.637 -4.776 7.258 1.00 0.00 H new ATOM 0 HA GLU A 68 6.677 -6.952 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.246 -6.373 10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.515 -7.887 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.259 -6.876 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.927 -5.292 9.023 1.00 0.00 H new