USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ 175:sc= 0.277 (180deg=0.0626) USER MOD Set 1.2: A 39 TYR OH : rot 56:sc= 1.12 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 170:sc= -0.13 USER MOD Single : A 21 MET CE :methyl -159:sc= -0.727 (180deg=-1.61) USER MOD Single : A 26 SER OG : rot -34:sc= 1.23 USER MOD Single : A 27 CYS SG : rot -93:sc= -4.9! USER MOD Single : A 28 GLN : amide:sc= 0.449 X(o=0.45,f=0) USER MOD Single : A 29 THR OG1 : rot -46:sc= 0.154 USER MOD Single : A 40 TYR OH : rot -37:sc= 1.25 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 173:sc= 0.539 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0.563 (180deg=0.52) USER MOD Single : A 71 SER OG : rot -52:sc= 0.00282 USER MOD ----------------------------------------------------------------- ATOM 206 N TYR A 13 12.897 -1.436 -1.236 1.00 0.00 N ATOM 207 CA TYR A 13 12.285 -1.183 -2.532 1.00 0.00 C ATOM 208 C TYR A 13 11.427 -2.414 -2.937 1.00 0.00 C ATOM 209 O TYR A 13 10.423 -2.281 -3.634 1.00 0.00 O ATOM 210 CB TYR A 13 13.429 -0.813 -3.496 1.00 0.00 C ATOM 211 CG TYR A 13 13.952 0.607 -3.273 1.00 0.00 C ATOM 212 CD1 TYR A 13 14.279 1.068 -1.980 1.00 0.00 C ATOM 213 CD2 TYR A 13 14.014 1.527 -4.340 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.558 2.408 -1.726 1.00 0.00 C ATOM 215 CE2 TYR A 13 14.356 2.877 -4.098 1.00 0.00 C ATOM 216 CZ TYR A 13 14.628 3.318 -2.790 1.00 0.00 C ATOM 217 OH TYR A 13 14.919 4.623 -2.536 1.00 0.00 O ATOM 0 HA TYR A 13 11.583 -0.349 -2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.248 -1.521 -3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 13 13.078 -0.910 -4.524 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.314 0.361 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.799 1.199 -5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.720 2.745 -0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 13 14.409 3.574 -4.922 1.00 0.00 H new ATOM 0 HH TYR A 13 14.932 5.125 -3.377 1.00 0.00 H new ATOM 227 N GLU A 14 11.748 -3.607 -2.397 1.00 0.00 N ATOM 228 CA GLU A 14 10.844 -4.776 -2.291 1.00 0.00 C ATOM 229 C GLU A 14 9.814 -4.651 -1.157 1.00 0.00 C ATOM 230 O GLU A 14 8.621 -4.865 -1.382 1.00 0.00 O ATOM 231 CB GLU A 14 11.673 -6.058 -2.103 1.00 0.00 C ATOM 232 CG GLU A 14 10.835 -7.331 -2.211 1.00 0.00 C ATOM 233 CD GLU A 14 11.747 -8.552 -2.176 1.00 0.00 C ATOM 234 OE1 GLU A 14 12.054 -9.030 -1.062 1.00 0.00 O ATOM 235 OE2 GLU A 14 12.131 -9.042 -3.265 1.00 0.00 O ATOM 0 H GLU A 14 12.673 -3.792 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 14 10.279 -4.820 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.464 -6.086 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.158 -6.031 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.119 -7.377 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.260 -7.321 -3.137 1.00 0.00 H new ATOM 242 N ALA A 15 10.261 -4.233 0.038 1.00 0.00 N ATOM 243 CA ALA A 15 9.445 -4.015 1.263 1.00 0.00 C ATOM 244 C ALA A 15 8.191 -3.160 1.052 1.00 0.00 C ATOM 245 O ALA A 15 7.136 -3.358 1.664 1.00 0.00 O ATOM 246 CB ALA A 15 10.277 -3.248 2.287 1.00 0.00 C ATOM 0 H ALA A 15 11.248 -4.025 0.193 1.00 0.00 H new ATOM 0 HA ALA A 15 9.144 -5.014 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.685 -3.085 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.167 -3.825 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.573 -2.286 1.868 1.00 0.00 H new ATOM 252 N SER A 16 8.317 -2.239 0.107 1.00 0.00 N ATOM 253 CA SER A 16 7.378 -1.193 -0.271 1.00 0.00 C ATOM 254 C SER A 16 6.017 -1.772 -0.706 1.00 0.00 C ATOM 255 O SER A 16 4.970 -1.153 -0.516 1.00 0.00 O ATOM 256 CB SER A 16 8.076 -0.502 -1.470 1.00 0.00 C ATOM 257 OG SER A 16 8.499 0.824 -1.240 1.00 0.00 O ATOM 0 H SER A 16 9.159 -2.202 -0.468 1.00 0.00 H new ATOM 0 HA SER A 16 7.157 -0.519 0.557 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.943 -1.098 -1.757 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.392 -0.505 -2.319 1.00 0.00 H new ATOM 0 HG SER A 16 9.064 1.121 -1.983 1.00 0.00 H new ATOM 263 N ILE A 17 6.045 -3.002 -1.229 1.00 0.00 N ATOM 264 CA ILE A 17 4.981 -3.730 -1.951 1.00 0.00 C ATOM 265 C ILE A 17 4.754 -5.146 -1.339 1.00 0.00 C ATOM 266 O ILE A 17 4.024 -5.982 -1.877 1.00 0.00 O ATOM 267 CB ILE A 17 5.399 -3.669 -3.458 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.648 -2.582 -4.256 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.351 -4.975 -4.270 1.00 0.00 C ATOM 270 CD1 ILE A 17 4.420 -1.239 -3.547 1.00 0.00 C ATOM 0 H ILE A 17 6.888 -3.571 -1.154 1.00 0.00 H new ATOM 0 HA ILE A 17 3.990 -3.287 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 17 6.455 -3.422 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.202 -2.392 -5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.677 -2.983 -4.546 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.667 -4.778 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.019 -5.709 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.333 -5.365 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.883 -0.563 -4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.833 -1.400 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.382 -0.800 -3.282 1.00 0.00 H new ATOM 282 N ASP A 18 5.314 -5.382 -0.144 1.00 0.00 N ATOM 283 CA ASP A 18 5.312 -6.667 0.590 1.00 0.00 C ATOM 284 C ASP A 18 4.252 -6.762 1.714 1.00 0.00 C ATOM 285 O ASP A 18 4.060 -7.826 2.304 1.00 0.00 O ATOM 286 CB ASP A 18 6.734 -6.910 1.140 1.00 0.00 C ATOM 287 CG ASP A 18 6.966 -8.332 1.710 1.00 0.00 C ATOM 288 OD1 ASP A 18 6.844 -9.321 0.944 1.00 0.00 O ATOM 289 OD2 ASP A 18 7.316 -8.453 2.909 1.00 0.00 O ATOM 0 H ASP A 18 5.806 -4.649 0.367 1.00 0.00 H new ATOM 0 HA ASP A 18 5.026 -7.448 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.455 -6.730 0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.937 -6.180 1.924 1.00 0.00 H new ATOM 294 N GLU A 19 3.542 -5.654 1.995 1.00 0.00 N ATOM 295 CA GLU A 19 2.503 -5.543 3.049 1.00 0.00 C ATOM 296 C GLU A 19 1.220 -4.873 2.549 1.00 0.00 C ATOM 297 O GLU A 19 0.187 -5.532 2.454 1.00 0.00 O ATOM 298 CB GLU A 19 3.039 -4.792 4.279 1.00 0.00 C ATOM 299 CG GLU A 19 4.204 -5.516 4.953 1.00 0.00 C ATOM 300 CD GLU A 19 4.638 -4.762 6.203 1.00 0.00 C ATOM 301 OE1 GLU A 19 4.079 -5.042 7.287 1.00 0.00 O ATOM 302 OE2 GLU A 19 5.549 -3.905 6.108 1.00 0.00 O ATOM 0 H GLU A 19 3.675 -4.782 1.483 1.00 0.00 H new ATOM 0 HA GLU A 19 2.250 -6.564 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.362 -3.795 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.232 -4.662 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.908 -6.531 5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.041 -5.598 4.260 1.00 0.00 H new ATOM 309 N PHE A 20 1.278 -3.602 2.144 1.00 0.00 N ATOM 310 CA PHE A 20 0.122 -2.816 1.677 1.00 0.00 C ATOM 311 C PHE A 20 -0.561 -3.432 0.466 1.00 0.00 C ATOM 312 O PHE A 20 -1.771 -3.562 0.432 1.00 0.00 O ATOM 313 CB PHE A 20 0.573 -1.414 1.240 1.00 0.00 C ATOM 314 CG PHE A 20 1.135 -0.523 2.314 1.00 0.00 C ATOM 315 CD1 PHE A 20 2.472 -0.668 2.727 1.00 0.00 C ATOM 316 CD2 PHE A 20 0.334 0.487 2.868 1.00 0.00 C ATOM 317 CE1 PHE A 20 2.978 0.151 3.742 1.00 0.00 C ATOM 318 CE2 PHE A 20 0.861 1.340 3.850 1.00 0.00 C ATOM 319 CZ PHE A 20 2.170 1.145 4.321 1.00 0.00 C ATOM 0 H PHE A 20 2.150 -3.073 2.130 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.570 -2.788 2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.327 -1.526 0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.280 -0.907 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.105 -1.409 2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.688 0.608 2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.994 0.019 4.082 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.260 2.146 4.244 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.554 1.756 5.124 1.00 0.00 H new ATOM 329 N MET A 21 0.190 -3.886 -0.515 1.00 0.00 N ATOM 330 CA MET A 21 -0.348 -4.402 -1.791 1.00 0.00 C ATOM 331 C MET A 21 -1.303 -5.575 -1.605 1.00 0.00 C ATOM 332 O MET A 21 -2.326 -5.683 -2.282 1.00 0.00 O ATOM 333 CB MET A 21 0.820 -4.941 -2.624 1.00 0.00 C ATOM 334 CG MET A 21 1.468 -3.891 -3.509 1.00 0.00 C ATOM 335 SD MET A 21 0.515 -3.326 -4.943 1.00 0.00 S ATOM 336 CE MET A 21 -0.389 -4.801 -5.499 1.00 0.00 C ATOM 0 H MET A 21 1.208 -3.914 -0.464 1.00 0.00 H new ATOM 0 HA MET A 21 -0.882 -3.577 -2.263 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.573 -5.355 -1.954 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.463 -5.761 -3.248 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.699 -3.023 -2.892 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.417 -4.289 -3.868 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.687 -4.674 -6.540 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.254 -5.677 -5.409 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.277 -4.938 -4.882 1.00 0.00 H new ATOM 346 N GLY A 22 -1.015 -6.412 -0.617 1.00 0.00 N ATOM 347 CA GLY A 22 -1.911 -7.447 -0.142 1.00 0.00 C ATOM 348 C GLY A 22 -3.069 -6.862 0.653 1.00 0.00 C ATOM 349 O GLY A 22 -4.174 -7.360 0.551 1.00 0.00 O ATOM 0 H GLY A 22 -0.128 -6.386 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.299 -8.011 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.358 -8.150 0.482 1.00 0.00 H new ATOM 353 N LYS A 23 -2.833 -5.838 1.472 1.00 0.00 N ATOM 354 CA LYS A 23 -3.809 -5.239 2.346 1.00 0.00 C ATOM 355 C LYS A 23 -4.911 -4.585 1.497 1.00 0.00 C ATOM 356 O LYS A 23 -6.095 -4.779 1.754 1.00 0.00 O ATOM 357 CB LYS A 23 -3.063 -4.414 3.397 1.00 0.00 C ATOM 358 CG LYS A 23 -3.173 -2.921 3.272 1.00 0.00 C ATOM 359 CD LYS A 23 -2.357 -2.247 4.386 1.00 0.00 C ATOM 360 CE LYS A 23 -3.105 -2.323 5.721 1.00 0.00 C ATOM 361 NZ LYS A 23 -2.207 -2.208 6.896 1.00 0.00 N ATOM 0 H LYS A 23 -1.917 -5.394 1.538 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.383 -5.942 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.430 -4.703 4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.008 -4.684 3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.809 -2.600 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.218 -2.617 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.386 -2.733 4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.168 -1.205 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.849 -1.527 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.646 -3.268 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.776 -2.181 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.567 -3.028 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.647 -1.335 6.821 1.00 0.00 H new ATOM 375 N ILE A 24 -4.517 -3.880 0.429 1.00 0.00 N ATOM 376 CA ILE A 24 -5.411 -3.347 -0.582 1.00 0.00 C ATOM 377 C ILE A 24 -6.033 -4.401 -1.500 1.00 0.00 C ATOM 378 O ILE A 24 -7.240 -4.379 -1.732 1.00 0.00 O ATOM 379 CB ILE A 24 -4.722 -2.254 -1.401 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.256 -2.343 -1.779 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.903 -0.948 -0.640 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.935 -1.719 -3.095 1.00 0.00 C ATOM 0 H ILE A 24 -3.537 -3.664 0.248 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.245 -2.915 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.212 -2.358 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.661 -1.861 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.959 -3.392 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.425 -0.137 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.966 -0.735 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.447 -1.035 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.869 -1.822 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.502 -2.216 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.199 -0.662 -3.070 1.00 0.00 H new ATOM 394 N ALA A 25 -5.269 -5.396 -1.951 1.00 0.00 N ATOM 395 CA ALA A 25 -5.835 -6.497 -2.742 1.00 0.00 C ATOM 396 C ALA A 25 -6.837 -7.349 -1.932 1.00 0.00 C ATOM 397 O ALA A 25 -7.764 -7.943 -2.486 1.00 0.00 O ATOM 398 CB ALA A 25 -4.710 -7.366 -3.319 1.00 0.00 C ATOM 0 H ALA A 25 -4.265 -5.466 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.398 -6.056 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.141 -8.179 -3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.072 -6.757 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.116 -7.780 -2.504 1.00 0.00 H new ATOM 404 N SER A 26 -6.685 -7.327 -0.605 1.00 0.00 N ATOM 405 CA SER A 26 -7.504 -8.029 0.382 1.00 0.00 C ATOM 406 C SER A 26 -8.515 -7.112 1.091 1.00 0.00 C ATOM 407 O SER A 26 -9.084 -7.465 2.127 1.00 0.00 O ATOM 408 CB SER A 26 -6.613 -8.750 1.408 1.00 0.00 C ATOM 409 OG SER A 26 -7.399 -9.436 2.359 1.00 0.00 O ATOM 0 H SER A 26 -5.941 -6.785 -0.166 1.00 0.00 H new ATOM 0 HA SER A 26 -8.089 -8.766 -0.168 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.957 -9.454 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.973 -8.026 1.912 1.00 0.00 H new ATOM 0 HG SER A 26 -8.222 -8.932 2.528 1.00 0.00 H new ATOM 415 N CYS A 27 -8.732 -5.893 0.606 1.00 0.00 N ATOM 416 CA CYS A 27 -9.409 -4.909 1.431 1.00 0.00 C ATOM 417 C CYS A 27 -10.919 -5.195 1.649 1.00 0.00 C ATOM 418 O CYS A 27 -11.552 -4.665 2.558 1.00 0.00 O ATOM 419 CB CYS A 27 -9.204 -3.556 0.795 1.00 0.00 C ATOM 420 SG CYS A 27 -10.024 -3.467 -0.779 1.00 0.00 S ATOM 0 H CYS A 27 -8.458 -5.574 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.973 -4.950 2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.588 -2.777 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.138 -3.368 0.666 1.00 0.00 H new ATOM 0 HG CYS A 27 -9.193 -3.801 -1.721 1.00 0.00 H new ATOM 426 N GLN A 28 -11.499 -6.029 0.769 1.00 0.00 N ATOM 427 CA GLN A 28 -12.869 -6.601 0.747 1.00 0.00 C ATOM 428 C GLN A 28 -14.025 -5.594 0.609 1.00 0.00 C ATOM 429 O GLN A 28 -15.187 -5.976 0.480 1.00 0.00 O ATOM 430 CB GLN A 28 -13.120 -7.475 1.991 1.00 0.00 C ATOM 431 CG GLN A 28 -12.211 -8.702 2.079 1.00 0.00 C ATOM 432 CD GLN A 28 -12.006 -9.070 3.529 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.768 -9.823 4.124 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.995 -8.499 4.152 1.00 0.00 N ATOM 0 H GLN A 28 -10.966 -6.359 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.880 -7.192 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.981 -6.867 2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.159 -7.804 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.656 -9.538 1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.252 -8.492 1.606 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.369 -7.875 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.838 -8.681 5.143 1.00 0.00 H new ATOM 443 N THR A 29 -13.708 -4.308 0.648 1.00 0.00 N ATOM 444 CA THR A 29 -14.654 -3.189 0.729 1.00 0.00 C ATOM 445 C THR A 29 -13.983 -1.986 0.117 1.00 0.00 C ATOM 446 O THR A 29 -12.795 -1.753 0.368 1.00 0.00 O ATOM 447 CB THR A 29 -14.962 -2.825 2.191 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.783 -2.776 2.982 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.935 -3.797 2.862 1.00 0.00 C ATOM 0 H THR A 29 -12.738 -3.994 0.623 1.00 0.00 H new ATOM 0 HA THR A 29 -15.576 -3.471 0.221 1.00 0.00 H new ATOM 0 HB THR A 29 -15.426 -1.840 2.139 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.229 -3.562 2.793 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.110 -3.484 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.879 -3.800 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.509 -4.800 2.856 1.00 0.00 H new ATOM 457 N LEU A 30 -14.706 -1.196 -0.676 1.00 0.00 N ATOM 458 CA LEU A 30 -14.099 0.011 -1.176 1.00 0.00 C ATOM 459 C LEU A 30 -13.923 0.988 -0.041 1.00 0.00 C ATOM 460 O LEU A 30 -12.977 1.749 0.035 1.00 0.00 O ATOM 461 CB LEU A 30 -14.961 0.704 -2.200 1.00 0.00 C ATOM 462 CG LEU A 30 -13.968 1.652 -2.884 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.609 1.237 -4.247 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.483 3.027 -2.892 1.00 0.00 C ATOM 0 H LEU A 30 -15.668 -1.367 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.152 -0.281 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.400 -0.002 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.786 1.246 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.053 1.608 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.904 1.952 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.150 0.249 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.506 1.202 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.763 3.682 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.429 3.058 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.640 3.363 -1.867 1.00 0.00 H new ATOM 476 N GLU A 31 -14.878 0.963 0.848 1.00 0.00 N ATOM 477 CA GLU A 31 -14.964 1.804 1.991 1.00 0.00 C ATOM 478 C GLU A 31 -13.796 1.584 2.930 1.00 0.00 C ATOM 479 O GLU A 31 -13.280 2.533 3.507 1.00 0.00 O ATOM 480 CB GLU A 31 -16.294 1.422 2.640 1.00 0.00 C ATOM 481 CG GLU A 31 -16.809 2.591 3.414 1.00 0.00 C ATOM 482 CD GLU A 31 -18.033 2.232 4.241 1.00 0.00 C ATOM 483 OE1 GLU A 31 -17.855 1.759 5.387 1.00 0.00 O ATOM 484 OE2 GLU A 31 -19.161 2.457 3.744 1.00 0.00 O ATOM 0 H GLU A 31 -15.660 0.312 0.781 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.923 2.862 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.015 1.128 1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.159 0.564 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.024 2.965 4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.060 3.399 2.727 1.00 0.00 H new ATOM 491 N GLY A 32 -13.350 0.332 3.019 1.00 0.00 N ATOM 492 CA GLY A 32 -12.059 -0.004 3.594 1.00 0.00 C ATOM 493 C GLY A 32 -10.851 0.340 2.758 1.00 0.00 C ATOM 494 O GLY A 32 -9.907 0.888 3.284 1.00 0.00 O ATOM 0 H GLY A 32 -13.879 -0.476 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.968 0.504 4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.042 -1.075 3.797 1.00 0.00 H new ATOM 498 N LEU A 33 -10.866 0.138 1.451 1.00 0.00 N ATOM 499 CA LEU A 33 -9.780 0.516 0.545 1.00 0.00 C ATOM 500 C LEU A 33 -9.451 1.999 0.565 1.00 0.00 C ATOM 501 O LEU A 33 -8.300 2.392 0.559 1.00 0.00 O ATOM 502 CB LEU A 33 -10.311 0.153 -0.846 1.00 0.00 C ATOM 503 CG LEU A 33 -9.450 0.552 -2.044 1.00 0.00 C ATOM 504 CD1 LEU A 33 -7.991 0.223 -1.903 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.919 -0.241 -3.230 1.00 0.00 C ATOM 0 H LEU A 33 -11.651 -0.304 0.973 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.860 0.008 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.460 -0.926 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.291 0.614 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.552 1.633 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.458 0.541 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.583 0.741 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.871 -0.853 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.322 0.023 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.809 -1.305 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.967 -0.016 -3.426 1.00 0.00 H new ATOM 517 N GLU A 34 -10.489 2.792 0.623 1.00 0.00 N ATOM 518 CA GLU A 34 -10.564 4.225 0.882 1.00 0.00 C ATOM 519 C GLU A 34 -10.050 4.648 2.268 1.00 0.00 C ATOM 520 O GLU A 34 -9.471 5.723 2.418 1.00 0.00 O ATOM 521 CB GLU A 34 -12.025 4.613 0.755 1.00 0.00 C ATOM 522 CG GLU A 34 -12.490 4.785 -0.689 1.00 0.00 C ATOM 523 CD GLU A 34 -12.010 6.115 -1.257 1.00 0.00 C ATOM 524 OE1 GLU A 34 -10.826 6.234 -1.633 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.827 7.059 -1.347 1.00 0.00 O ATOM 0 H GLU A 34 -11.423 2.410 0.472 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.917 4.731 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.638 3.851 1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.193 5.545 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.109 3.965 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.578 4.737 -0.734 1.00 0.00 H new ATOM 532 N GLU A 35 -10.239 3.793 3.280 1.00 0.00 N ATOM 533 CA GLU A 35 -9.609 3.921 4.631 1.00 0.00 C ATOM 534 C GLU A 35 -8.139 3.551 4.594 1.00 0.00 C ATOM 535 O GLU A 35 -7.335 4.269 5.170 1.00 0.00 O ATOM 536 CB GLU A 35 -10.260 3.052 5.718 1.00 0.00 C ATOM 537 CG GLU A 35 -11.683 3.471 6.049 1.00 0.00 C ATOM 538 CD GLU A 35 -11.718 4.425 7.234 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.778 3.944 8.387 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.688 5.658 7.012 1.00 0.00 O ATOM 0 H GLU A 35 -10.841 2.974 3.198 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.755 4.970 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.261 2.012 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.654 3.100 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.134 3.950 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.281 2.588 6.273 1.00 0.00 H new ATOM 547 N LEU A 36 -7.782 2.509 3.845 1.00 0.00 N ATOM 548 CA LEU A 36 -6.408 2.146 3.488 1.00 0.00 C ATOM 549 C LEU A 36 -5.773 3.287 2.673 1.00 0.00 C ATOM 550 O LEU A 36 -4.606 3.599 2.875 1.00 0.00 O ATOM 551 CB LEU A 36 -6.256 0.837 2.681 1.00 0.00 C ATOM 552 CG LEU A 36 -6.889 -0.414 3.275 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.843 -1.575 2.299 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.105 -0.806 4.489 1.00 0.00 C ATOM 0 H LEU A 36 -8.470 1.866 3.453 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.905 1.979 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.684 0.997 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.192 0.646 2.541 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.929 -0.194 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.303 -2.452 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.387 -1.310 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.806 -1.798 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.542 -1.701 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.072 -1.008 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.129 0.006 5.216 1.00 0.00 H new ATOM 566 N GLU A 37 -6.547 3.946 1.807 1.00 0.00 N ATOM 567 CA GLU A 37 -6.093 5.039 0.973 1.00 0.00 C ATOM 568 C GLU A 37 -5.743 6.245 1.800 1.00 0.00 C ATOM 569 O GLU A 37 -4.678 6.832 1.653 1.00 0.00 O ATOM 570 CB GLU A 37 -7.157 5.470 -0.032 1.00 0.00 C ATOM 571 CG GLU A 37 -6.576 6.055 -1.312 1.00 0.00 C ATOM 572 CD GLU A 37 -6.219 7.537 -1.244 1.00 0.00 C ATOM 573 OE1 GLU A 37 -6.860 8.309 -0.496 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.324 7.935 -2.025 1.00 0.00 O ATOM 0 H GLU A 37 -7.532 3.720 1.670 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.215 4.667 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.779 4.611 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.808 6.209 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.680 5.493 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.294 5.907 -2.119 1.00 0.00 H new ATOM 581 N ALA A 38 -6.622 6.550 2.748 1.00 0.00 N ATOM 582 CA ALA A 38 -6.345 7.558 3.727 1.00 0.00 C ATOM 583 C ALA A 38 -5.142 7.146 4.590 1.00 0.00 C ATOM 584 O ALA A 38 -4.182 7.896 4.675 1.00 0.00 O ATOM 585 CB ALA A 38 -7.596 7.830 4.565 1.00 0.00 C ATOM 0 H ALA A 38 -7.533 6.103 2.847 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.077 8.489 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.377 8.598 5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.402 8.172 3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.902 6.914 5.070 1.00 0.00 H new ATOM 591 N TYR A 39 -5.115 5.932 5.152 1.00 0.00 N ATOM 592 CA TYR A 39 -4.045 5.482 6.060 1.00 0.00 C ATOM 593 C TYR A 39 -2.654 5.431 5.371 1.00 0.00 C ATOM 594 O TYR A 39 -1.628 5.742 5.984 1.00 0.00 O ATOM 595 CB TYR A 39 -4.425 4.130 6.697 1.00 0.00 C ATOM 596 CG TYR A 39 -3.324 3.091 6.749 1.00 0.00 C ATOM 597 CD1 TYR A 39 -3.121 2.301 5.608 1.00 0.00 C ATOM 598 CD2 TYR A 39 -2.483 2.941 7.865 1.00 0.00 C ATOM 599 CE1 TYR A 39 -2.068 1.390 5.553 1.00 0.00 C ATOM 600 CE2 TYR A 39 -1.437 1.997 7.824 1.00 0.00 C ATOM 601 CZ TYR A 39 -1.228 1.222 6.667 1.00 0.00 C ATOM 602 OH TYR A 39 -0.243 0.285 6.640 1.00 0.00 O ATOM 0 H TYR A 39 -5.836 5.229 4.991 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.951 6.223 6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.773 4.314 7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.266 3.713 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.787 2.400 4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.637 3.544 8.747 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.898 0.814 4.656 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.794 1.868 8.682 1.00 0.00 H new ATOM 0 HH TYR A 39 0.335 0.441 5.864 1.00 0.00 H new ATOM 612 N TYR A 40 -2.633 5.130 4.071 1.00 0.00 N ATOM 613 CA TYR A 40 -1.496 5.286 3.154 1.00 0.00 C ATOM 614 C TYR A 40 -1.072 6.755 3.117 1.00 0.00 C ATOM 615 O TYR A 40 0.045 7.079 3.513 1.00 0.00 O ATOM 616 CB TYR A 40 -1.971 4.832 1.764 1.00 0.00 C ATOM 617 CG TYR A 40 -1.263 5.367 0.527 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.125 5.216 0.320 1.00 0.00 C ATOM 619 CD2 TYR A 40 -2.044 6.026 -0.437 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.704 5.710 -0.863 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.451 6.570 -1.582 1.00 0.00 C ATOM 622 CZ TYR A 40 -0.082 6.395 -1.805 1.00 0.00 C ATOM 623 OH TYR A 40 0.450 6.894 -2.947 1.00 0.00 O ATOM 0 H TYR A 40 -3.454 4.749 3.601 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.641 4.693 3.477 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.907 3.744 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.026 5.092 1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.737 4.726 1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.111 6.114 -0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.758 5.562 -1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.049 7.123 -2.291 1.00 0.00 H new ATOM 0 HH TYR A 40 1.349 7.240 -2.765 1.00 0.00 H new ATOM 633 N LYS A 41 -1.976 7.674 2.788 1.00 0.00 N ATOM 634 CA LYS A 41 -1.638 9.104 2.739 1.00 0.00 C ATOM 635 C LYS A 41 -1.181 9.679 4.100 1.00 0.00 C ATOM 636 O LYS A 41 -0.275 10.504 4.155 1.00 0.00 O ATOM 637 CB LYS A 41 -2.820 9.888 2.190 1.00 0.00 C ATOM 638 CG LYS A 41 -3.223 9.354 0.803 1.00 0.00 C ATOM 639 CD LYS A 41 -2.886 10.281 -0.363 1.00 0.00 C ATOM 640 CE LYS A 41 -1.374 10.230 -0.576 1.00 0.00 C ATOM 641 NZ LYS A 41 -0.854 11.445 -1.245 1.00 0.00 N ATOM 0 H LYS A 41 -2.945 7.461 2.551 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.781 9.207 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.664 9.812 2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.562 10.945 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.730 8.395 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.296 9.165 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.410 9.966 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.207 11.300 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.879 10.109 0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.124 9.354 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.175 11.361 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.305 11.548 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.067 12.280 -0.663 1.00 0.00 H new ATOM 655 N LYS A 42 -1.770 9.208 5.206 1.00 0.00 N ATOM 656 CA LYS A 42 -1.578 9.582 6.597 1.00 0.00 C ATOM 657 C LYS A 42 -0.184 9.221 7.129 1.00 0.00 C ATOM 658 O LYS A 42 0.429 9.977 7.880 1.00 0.00 O ATOM 659 CB LYS A 42 -2.685 8.820 7.343 1.00 0.00 C ATOM 660 CG LYS A 42 -4.084 9.429 7.195 1.00 0.00 C ATOM 661 CD LYS A 42 -4.350 10.671 8.037 1.00 0.00 C ATOM 662 CE LYS A 42 -5.708 11.196 7.562 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.977 12.576 8.025 1.00 0.00 N ATOM 0 H LYS A 42 -2.472 8.472 5.129 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.639 10.662 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.709 7.792 6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.430 8.779 8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.243 9.681 6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.821 8.670 7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.371 10.429 9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.568 11.417 7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.744 11.168 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.496 10.535 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.907 12.884 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.971 12.601 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.242 13.214 7.659 1.00 0.00 H new ATOM 677 N ARG A 43 0.361 8.097 6.664 1.00 0.00 N ATOM 678 CA ARG A 43 1.745 7.678 6.892 1.00 0.00 C ATOM 679 C ARG A 43 2.770 8.542 6.153 1.00 0.00 C ATOM 680 O ARG A 43 3.823 8.871 6.674 1.00 0.00 O ATOM 681 CB ARG A 43 1.865 6.213 6.430 1.00 0.00 C ATOM 682 CG ARG A 43 3.306 5.705 6.211 1.00 0.00 C ATOM 683 CD ARG A 43 3.335 4.326 5.549 1.00 0.00 C ATOM 684 NE ARG A 43 4.702 3.979 5.104 1.00 0.00 N ATOM 685 CZ ARG A 43 5.134 3.734 3.875 1.00 0.00 C ATOM 686 NH1 ARG A 43 4.366 3.686 2.820 1.00 0.00 N ATOM 687 NH2 ARG A 43 6.402 3.538 3.644 1.00 0.00 N ATOM 0 H ARG A 43 -0.166 7.431 6.099 1.00 0.00 H new ATOM 0 HA ARG A 43 1.969 7.791 7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.381 5.575 7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.311 6.097 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.850 6.416 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.823 5.658 7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.976 3.574 6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.657 4.314 4.695 1.00 0.00 H new ATOM 0 HE ARG A 43 5.406 3.920 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.362 3.843 2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.770 3.492 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.072 3.572 4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.724 3.350 2.695 1.00 0.00 H new ATOM 701 N VAL A 44 2.515 8.842 4.891 1.00 0.00 N ATOM 702 CA VAL A 44 3.559 9.111 3.899 1.00 0.00 C ATOM 703 C VAL A 44 4.293 10.438 4.071 1.00 0.00 C ATOM 704 O VAL A 44 5.424 10.618 3.619 1.00 0.00 O ATOM 705 CB VAL A 44 2.833 8.937 2.563 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.421 9.622 1.361 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.831 7.429 2.376 1.00 0.00 C ATOM 0 H VAL A 44 1.569 8.908 4.515 1.00 0.00 H new ATOM 0 HA VAL A 44 4.402 8.428 3.998 1.00 0.00 H new ATOM 0 HB VAL A 44 1.855 9.416 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.806 9.413 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.452 10.698 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.432 9.253 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.331 7.179 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.858 7.065 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.303 6.960 3.206 1.00 0.00 H new ATOM 802 N LYS A 50 8.935 6.267 -0.922 1.00 0.00 N ATOM 803 CA LYS A 50 9.629 6.564 -2.163 1.00 0.00 C ATOM 804 C LYS A 50 8.693 6.280 -3.338 1.00 0.00 C ATOM 805 O LYS A 50 7.614 5.701 -3.175 1.00 0.00 O ATOM 806 CB LYS A 50 10.939 5.753 -2.261 1.00 0.00 C ATOM 807 CG LYS A 50 10.777 4.236 -2.414 1.00 0.00 C ATOM 808 CD LYS A 50 11.452 3.510 -1.248 1.00 0.00 C ATOM 809 CE LYS A 50 10.816 3.886 0.094 1.00 0.00 C ATOM 810 NZ LYS A 50 11.747 3.710 1.228 1.00 0.00 N ATOM 0 HA LYS A 50 9.907 7.618 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.512 6.125 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.532 5.947 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.719 3.978 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.215 3.910 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.378 2.433 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.513 3.757 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.484 4.924 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.929 3.273 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.271 3.977 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.045 2.715 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.582 4.314 1.089 1.00 0.00 H new ATOM 824 N ASP A 51 9.122 6.635 -4.541 1.00 0.00 N ATOM 825 CA ASP A 51 8.331 6.418 -5.764 1.00 0.00 C ATOM 826 C ASP A 51 7.913 4.943 -5.864 1.00 0.00 C ATOM 827 O ASP A 51 6.765 4.599 -6.114 1.00 0.00 O ATOM 828 CB ASP A 51 9.151 6.865 -6.991 1.00 0.00 C ATOM 829 CG ASP A 51 9.625 8.331 -6.931 1.00 0.00 C ATOM 830 OD1 ASP A 51 8.880 9.232 -7.387 1.00 0.00 O ATOM 831 OD2 ASP A 51 10.755 8.577 -6.433 1.00 0.00 O ATOM 0 H ASP A 51 10.024 7.081 -4.706 1.00 0.00 H new ATOM 0 HA ASP A 51 7.420 7.016 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.022 6.217 -7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.548 6.726 -7.888 1.00 0.00 H new ATOM 836 N THR A 52 8.830 4.059 -5.510 1.00 0.00 N ATOM 837 CA THR A 52 8.669 2.610 -5.553 1.00 0.00 C ATOM 838 C THR A 52 7.537 2.038 -4.694 1.00 0.00 C ATOM 839 O THR A 52 6.845 1.151 -5.197 1.00 0.00 O ATOM 840 CB THR A 52 9.945 1.988 -4.999 1.00 0.00 C ATOM 841 OG1 THR A 52 11.094 2.478 -5.661 1.00 0.00 O ATOM 842 CG2 THR A 52 9.983 0.468 -5.034 1.00 0.00 C ATOM 0 H THR A 52 9.749 4.341 -5.169 1.00 0.00 H new ATOM 0 HA THR A 52 8.441 2.379 -6.594 1.00 0.00 H new ATOM 0 HB THR A 52 9.945 2.288 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.898 2.151 -5.206 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.929 0.118 -4.620 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.158 0.070 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.889 0.125 -6.065 1.00 0.00 H new ATOM 850 N ASP A 53 7.308 2.480 -3.438 1.00 0.00 N ATOM 851 CA ASP A 53 6.023 2.136 -2.803 1.00 0.00 C ATOM 852 C ASP A 53 4.900 2.823 -3.555 1.00 0.00 C ATOM 853 O ASP A 53 3.932 2.178 -3.959 1.00 0.00 O ATOM 854 CB ASP A 53 5.837 2.370 -1.263 1.00 0.00 C ATOM 855 CG ASP A 53 6.835 3.169 -0.403 1.00 0.00 C ATOM 856 OD1 ASP A 53 7.826 3.720 -0.924 1.00 0.00 O ATOM 857 OD2 ASP A 53 6.599 3.217 0.833 1.00 0.00 O ATOM 0 H ASP A 53 7.950 3.039 -2.876 1.00 0.00 H new ATOM 0 HA ASP A 53 6.007 1.048 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.868 2.854 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.760 1.382 -0.808 1.00 0.00 H new ATOM 862 N ASP A 54 5.063 4.123 -3.761 1.00 0.00 N ATOM 863 CA ASP A 54 3.919 4.987 -3.945 1.00 0.00 C ATOM 864 C ASP A 54 3.146 4.700 -5.216 1.00 0.00 C ATOM 865 O ASP A 54 1.939 4.503 -5.162 1.00 0.00 O ATOM 866 CB ASP A 54 4.500 6.399 -4.103 1.00 0.00 C ATOM 867 CG ASP A 54 3.446 7.516 -4.057 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.911 7.812 -2.959 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.137 8.093 -5.129 1.00 0.00 O ATOM 0 H ASP A 54 5.968 4.592 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 54 3.238 4.850 -3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.231 6.571 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.035 6.457 -5.051 1.00 0.00 H new ATOM 874 N ILE A 55 3.845 4.549 -6.331 1.00 0.00 N ATOM 875 CA ILE A 55 3.190 4.290 -7.633 1.00 0.00 C ATOM 876 C ILE A 55 2.559 2.922 -7.683 1.00 0.00 C ATOM 877 O ILE A 55 1.427 2.729 -8.106 1.00 0.00 O ATOM 878 CB ILE A 55 4.157 4.338 -8.844 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.317 5.339 -8.712 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.397 4.612 -10.154 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.604 4.575 -9.061 1.00 0.00 C ATOM 0 H ILE A 55 4.863 4.599 -6.375 1.00 0.00 H new ATOM 0 HA ILE A 55 2.452 5.089 -7.707 1.00 0.00 H new ATOM 0 HB ILE A 55 4.608 3.346 -8.864 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.176 6.186 -9.384 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.368 5.740 -7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.102 4.640 -10.985 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.667 3.820 -10.324 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.883 5.570 -10.083 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.459 5.247 -8.981 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.731 3.742 -8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.536 4.194 -10.080 1.00 0.00 H new ATOM 893 N SER A 56 3.364 1.964 -7.226 1.00 0.00 N ATOM 894 CA SER A 56 3.071 0.546 -7.413 1.00 0.00 C ATOM 895 C SER A 56 1.807 0.163 -6.662 1.00 0.00 C ATOM 896 O SER A 56 0.887 -0.470 -7.186 1.00 0.00 O ATOM 897 CB SER A 56 4.308 -0.245 -6.997 1.00 0.00 C ATOM 898 OG SER A 56 4.926 -0.862 -8.116 1.00 0.00 O ATOM 0 H SER A 56 4.230 2.148 -6.720 1.00 0.00 H new ATOM 0 HA SER A 56 2.862 0.312 -8.457 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.019 0.420 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.028 -1.006 -6.268 1.00 0.00 H new ATOM 0 HG SER A 56 5.716 -1.360 -7.820 1.00 0.00 H new ATOM 904 N VAL A 57 1.802 0.573 -5.396 1.00 0.00 N ATOM 905 CA VAL A 57 0.690 0.416 -4.477 1.00 0.00 C ATOM 906 C VAL A 57 -0.505 1.263 -4.861 1.00 0.00 C ATOM 907 O VAL A 57 -1.580 0.709 -4.968 1.00 0.00 O ATOM 908 CB VAL A 57 1.167 0.678 -3.053 1.00 0.00 C ATOM 909 CG1 VAL A 57 1.010 2.097 -2.573 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.443 -0.180 -2.032 1.00 0.00 C ATOM 0 H VAL A 57 2.604 1.040 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 57 0.335 -0.613 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 57 2.227 0.435 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.378 2.178 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.581 2.765 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.043 2.377 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.820 0.045 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.626 0.030 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.614 -1.233 -2.255 1.00 0.00 H new ATOM 920 N ARG A 58 -0.360 2.549 -5.212 1.00 0.00 N ATOM 921 CA ARG A 58 -1.541 3.340 -5.555 1.00 0.00 C ATOM 922 C ARG A 58 -2.175 2.863 -6.842 1.00 0.00 C ATOM 923 O ARG A 58 -3.388 2.906 -6.961 1.00 0.00 O ATOM 924 CB ARG A 58 -1.223 4.813 -5.726 1.00 0.00 C ATOM 925 CG ARG A 58 -2.121 5.692 -4.855 1.00 0.00 C ATOM 926 CD ARG A 58 -3.568 5.618 -5.323 1.00 0.00 C ATOM 927 NE ARG A 58 -4.353 6.743 -4.773 1.00 0.00 N ATOM 928 CZ ARG A 58 -4.886 7.771 -5.416 1.00 0.00 C ATOM 929 NH1 ARG A 58 -4.823 7.916 -6.715 1.00 0.00 N ATOM 930 NH2 ARG A 58 -5.515 8.682 -4.734 1.00 0.00 N ATOM 0 H ARG A 58 0.530 3.045 -5.264 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.227 3.208 -4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.179 4.992 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.346 5.092 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.053 5.371 -3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.774 6.725 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.605 5.641 -6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.009 4.672 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.504 6.725 -3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.345 7.217 -7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.252 8.728 -7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.592 8.598 -3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.932 9.481 -5.213 1.00 0.00 H new ATOM 944 N ASP A 59 -1.373 2.385 -7.787 1.00 0.00 N ATOM 945 CA ASP A 59 -1.924 1.885 -9.047 1.00 0.00 C ATOM 946 C ASP A 59 -2.773 0.615 -8.863 1.00 0.00 C ATOM 947 O ASP A 59 -3.681 0.349 -9.634 1.00 0.00 O ATOM 948 CB ASP A 59 -0.778 1.612 -10.035 1.00 0.00 C ATOM 949 CG ASP A 59 -1.254 1.211 -11.447 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.772 2.084 -12.184 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.067 0.028 -11.828 1.00 0.00 O ATOM 0 H ASP A 59 -0.357 2.332 -7.711 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.588 2.655 -9.441 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.156 2.504 -10.111 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.148 0.818 -9.635 1.00 0.00 H new ATOM 956 N ALA A 60 -2.377 -0.212 -7.895 1.00 0.00 N ATOM 957 CA ALA A 60 -3.039 -1.378 -7.319 1.00 0.00 C ATOM 958 C ALA A 60 -4.250 -1.070 -6.441 1.00 0.00 C ATOM 959 O ALA A 60 -5.266 -1.744 -6.485 1.00 0.00 O ATOM 960 CB ALA A 60 -1.979 -2.142 -6.546 1.00 0.00 C ATOM 0 H ALA A 60 -1.475 -0.059 -7.443 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.463 -1.966 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.426 -3.027 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.181 -2.444 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.568 -1.503 -5.764 1.00 0.00 H new ATOM 966 N LEU A 61 -4.131 -0.039 -5.613 1.00 0.00 N ATOM 967 CA LEU A 61 -5.143 0.479 -4.720 1.00 0.00 C ATOM 968 C LEU A 61 -6.274 1.100 -5.516 1.00 0.00 C ATOM 969 O LEU A 61 -7.399 0.627 -5.469 1.00 0.00 O ATOM 970 CB LEU A 61 -4.385 1.541 -3.910 1.00 0.00 C ATOM 971 CG LEU A 61 -5.098 1.983 -2.666 1.00 0.00 C ATOM 972 CD1 LEU A 61 -4.048 2.311 -1.610 1.00 0.00 C ATOM 973 CD2 LEU A 61 -6.088 3.117 -2.889 1.00 0.00 C ATOM 0 H LEU A 61 -3.261 0.489 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.602 -0.282 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.408 1.144 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.209 2.410 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.729 1.165 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.542 2.636 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.449 1.424 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.401 3.109 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.561 3.378 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.562 3.986 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.850 2.800 -3.601 1.00 0.00 H new ATOM 985 N ALA A 62 -5.902 1.986 -6.427 1.00 0.00 N ATOM 986 CA ALA A 62 -6.731 2.449 -7.538 1.00 0.00 C ATOM 987 C ALA A 62 -7.168 1.299 -8.461 1.00 0.00 C ATOM 988 O ALA A 62 -8.235 1.325 -9.076 1.00 0.00 O ATOM 989 CB ALA A 62 -6.063 3.604 -8.291 1.00 0.00 C ATOM 0 H ALA A 62 -4.980 2.421 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.653 2.847 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.706 3.924 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.902 4.439 -7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.105 3.272 -8.690 1.00 0.00 H new ATOM 995 N GLY A 63 -6.301 0.288 -8.537 1.00 0.00 N ATOM 996 CA GLY A 63 -6.444 -0.957 -9.259 1.00 0.00 C ATOM 997 C GLY A 63 -7.699 -1.671 -8.797 1.00 0.00 C ATOM 998 O GLY A 63 -8.568 -2.007 -9.597 1.00 0.00 O ATOM 0 H GLY A 63 -5.406 0.333 -8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.497 -0.764 -10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.572 -1.589 -9.092 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.775 -1.873 -7.476 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.934 -2.363 -6.750 1.00 0.00 C ATOM 1004 C LYS A 64 -10.094 -1.375 -6.689 1.00 0.00 C ATOM 1005 O LYS A 64 -11.236 -1.778 -6.689 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.519 -2.962 -5.401 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.470 -4.120 -5.048 1.00 0.00 C ATOM 1008 CD LYS A 64 -8.941 -5.463 -5.581 1.00 0.00 C ATOM 1009 CE LYS A 64 -9.949 -6.621 -5.506 1.00 0.00 C ATOM 1010 NZ LYS A 64 -10.142 -7.161 -4.137 1.00 0.00 N ATOM 0 H LYS A 64 -6.984 -1.687 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.358 -3.183 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.491 -3.322 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.553 -2.198 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.589 -4.178 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.457 -3.923 -5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.634 -5.332 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.049 -5.737 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.910 -6.279 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.613 -7.426 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.712 -8.030 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.216 -7.377 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.633 -6.456 -3.552 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.840 -0.080 -6.607 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.850 0.938 -6.347 1.00 0.00 C ATOM 1026 C ARG A 65 -11.955 0.842 -7.372 1.00 0.00 C ATOM 1027 O ARG A 65 -13.085 0.607 -6.989 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.186 2.310 -6.291 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.867 3.371 -5.420 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.718 4.163 -4.789 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.173 5.427 -4.205 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.372 6.584 -4.811 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.188 6.769 -6.093 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.757 7.601 -4.102 1.00 0.00 N ATOM 0 H ARG A 65 -8.902 0.305 -6.722 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.319 0.775 -5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.165 2.179 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.119 2.697 -7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.511 4.017 -6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.495 2.911 -4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.243 3.558 -4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.960 4.366 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.360 5.412 -3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.874 5.996 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.358 7.686 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.900 7.497 -3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.916 8.504 -4.550 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.601 0.749 -8.647 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.590 0.576 -9.718 1.00 0.00 C ATOM 1050 C ALA A 66 -13.421 -0.701 -9.552 1.00 0.00 C ATOM 1051 O ALA A 66 -14.607 -0.718 -9.884 1.00 0.00 O ATOM 1052 CB ALA A 66 -11.911 0.502 -11.071 1.00 0.00 C ATOM 0 H ALA A 66 -10.635 0.790 -8.972 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.248 1.443 -9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.663 0.374 -11.849 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.356 1.423 -11.251 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.224 -0.344 -11.088 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.795 -1.778 -9.062 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.434 -3.077 -8.861 1.00 0.00 C ATOM 1060 C GLU A 67 -14.467 -2.982 -7.775 1.00 0.00 C ATOM 1061 O GLU A 67 -15.557 -3.535 -7.841 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.396 -4.071 -8.352 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.118 -4.108 -9.155 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.301 -4.812 -10.487 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.262 -6.065 -10.503 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.467 -4.129 -11.524 1.00 0.00 O ATOM 0 H GLU A 67 -11.812 -1.767 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.877 -3.386 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.153 -3.826 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.837 -5.068 -8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.770 -3.090 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.344 -4.616 -8.580 1.00 0.00 H new ATOM 1073 N LEU A 68 -13.999 -2.365 -6.703 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.703 -2.142 -5.469 1.00 0.00 C ATOM 1075 C LEU A 68 -15.875 -1.178 -5.549 1.00 0.00 C ATOM 1076 O LEU A 68 -16.834 -1.255 -4.792 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.663 -1.865 -4.435 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.180 -3.190 -3.869 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.121 -2.812 -2.944 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.204 -3.840 -2.932 1.00 0.00 C ATOM 0 H LEU A 68 -13.053 -1.984 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.259 -3.033 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.831 -1.314 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.075 -1.242 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.936 -3.858 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.706 -3.707 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.335 -2.286 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.528 -2.160 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.807 -4.783 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.406 -3.173 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.129 -4.027 -3.477 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.716 -0.216 -6.446 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.643 0.794 -6.887 1.00 0.00 C ATOM 1094 C GLU A 69 -17.713 0.221 -7.814 1.00 0.00 C ATOM 1095 O GLU A 69 -18.868 0.648 -7.801 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.776 1.791 -7.647 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.356 3.048 -6.883 1.00 0.00 C ATOM 1098 CD GLU A 69 -14.830 4.095 -7.859 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -15.645 4.908 -8.352 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.605 4.129 -8.110 1.00 0.00 O ATOM 0 H GLU A 69 -14.825 -0.122 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.180 1.237 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.875 1.276 -7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.315 2.100 -8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.205 3.448 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.586 2.800 -6.152 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.324 -0.802 -8.581 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.243 -1.786 -9.184 1.00 0.00 C ATOM 1109 C ASP A 70 -18.864 -2.687 -8.110 1.00 0.00 C ATOM 1110 O ASP A 70 -19.942 -3.252 -8.327 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.531 -2.644 -10.253 1.00 0.00 C ATOM 1112 CG ASP A 70 -17.948 -2.280 -11.691 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -19.028 -2.734 -12.139 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -17.197 -1.552 -12.387 1.00 0.00 O ATOM 0 H ASP A 70 -16.345 -0.977 -8.807 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.040 -1.227 -9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.453 -2.521 -10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.750 -3.696 -10.072 1.00 0.00 H new ATOM 1119 N SER A 71 -18.224 -2.756 -6.940 1.00 0.00 N ATOM 1120 CA SER A 71 -18.711 -3.514 -5.774 1.00 0.00 C ATOM 1121 C SER A 71 -19.315 -2.621 -4.659 1.00 0.00 C ATOM 1122 O SER A 71 -19.320 -2.983 -3.475 1.00 0.00 O ATOM 1123 CB SER A 71 -17.601 -4.432 -5.246 1.00 0.00 C ATOM 1124 OG SER A 71 -18.127 -5.556 -4.559 1.00 0.00 O ATOM 0 H SER A 71 -17.338 -2.281 -6.769 1.00 0.00 H new ATOM 0 HA SER A 71 -19.543 -4.130 -6.114 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.984 -4.771 -6.078 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.951 -3.868 -4.576 1.00 0.00 H new ATOM 0 HG SER A 71 -18.764 -5.255 -3.878 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.798 -1.418 -5.028 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.244 -0.343 -4.116 1.00 0.00 C ATOM 1132 C ASP A 72 -21.303 -0.784 -3.077 1.00 0.00 C ATOM 1133 O ASP A 72 -21.412 -0.193 -1.999 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.793 0.822 -4.961 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.321 2.005 -4.124 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.498 2.763 -3.553 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.557 2.214 -4.074 1.00 0.00 O ATOM 0 H ASP A 72 -19.892 -1.157 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.373 -0.042 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.005 1.181 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.598 0.450 -5.595 1.00 0.00 H new