USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 397 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 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.25! C(o=-3.3!,f=-2.4!) USER MOD Single : A 37 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.37) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc=-0.00644 USER MOD Single : A 51 HIS : no HD1:sc= 0.241 K(o=0.24,f=-1.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 69 ASN : amide:sc= -0.0017 X(o=-0.0017,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 17 10.329 -6.173 -2.319 1.00 0.00 N ATOM 211 CA PRO A 17 9.152 -5.434 -1.853 1.00 0.00 C ATOM 212 C PRO A 17 7.849 -6.026 -2.382 1.00 0.00 C ATOM 213 O PRO A 17 7.859 -6.876 -3.272 1.00 0.00 O ATOM 214 CB PRO A 17 9.369 -4.028 -2.419 1.00 0.00 C ATOM 215 CG PRO A 17 10.238 -4.230 -3.612 1.00 0.00 C ATOM 216 CD PRO A 17 11.126 -5.398 -3.285 1.00 0.00 C ATOM 0 HA PRO A 17 9.057 -5.461 -0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.423 -3.561 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.846 -3.376 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.640 -4.431 -4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.828 -3.338 -3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.362 -5.984 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.074 -5.074 -2.856 1.00 0.00 H new ATOM 224 N ILE A 18 6.731 -5.570 -1.828 1.00 0.00 N ATOM 225 CA ILE A 18 5.421 -6.053 -2.246 1.00 0.00 C ATOM 226 C ILE A 18 4.602 -4.938 -2.888 1.00 0.00 C ATOM 227 O ILE A 18 4.725 -3.772 -2.515 1.00 0.00 O ATOM 228 CB ILE A 18 4.631 -6.636 -1.059 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.574 -7.363 -0.098 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.544 -7.577 -1.556 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.878 -7.930 1.119 1.00 0.00 C ATOM 0 H ILE A 18 6.706 -4.867 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 18 5.595 -6.841 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 18 4.156 -5.816 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.071 -8.173 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.352 -6.672 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.995 -7.980 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.859 -7.031 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.998 -8.395 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.608 -8.431 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.404 -7.122 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.119 -8.646 0.804 1.00 0.00 H new ATOM 243 N GLU A 19 3.766 -5.307 -3.854 1.00 0.00 N ATOM 244 CA GLU A 19 2.927 -4.337 -4.547 1.00 0.00 C ATOM 245 C GLU A 19 1.458 -4.526 -4.178 1.00 0.00 C ATOM 246 O GLU A 19 0.904 -5.616 -4.326 1.00 0.00 O ATOM 247 CB GLU A 19 3.104 -4.466 -6.062 1.00 0.00 C ATOM 248 CG GLU A 19 4.248 -3.632 -6.614 1.00 0.00 C ATOM 249 CD GLU A 19 4.286 -3.626 -8.130 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.208 -3.523 -8.751 1.00 0.00 O ATOM 251 OE2 GLU A 19 5.395 -3.723 -8.695 1.00 0.00 O ATOM 0 H GLU A 19 3.652 -6.269 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 19 3.237 -3.339 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.275 -5.513 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.178 -4.169 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.154 -2.608 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.193 -4.019 -6.232 1.00 0.00 H new ATOM 258 N VAL A 20 0.833 -3.457 -3.695 1.00 0.00 N ATOM 259 CA VAL A 20 -0.571 -3.504 -3.305 1.00 0.00 C ATOM 260 C VAL A 20 -1.368 -2.396 -3.985 1.00 0.00 C ATOM 261 O VAL A 20 -0.824 -1.347 -4.332 1.00 0.00 O ATOM 262 CB VAL A 20 -0.734 -3.375 -1.779 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.107 -4.567 -1.072 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.123 -2.072 -1.286 1.00 0.00 C ATOM 0 H VAL A 20 1.277 -2.548 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.956 -4.473 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.799 -3.362 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.232 -4.458 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.594 -5.484 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.955 -4.614 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.247 -1.998 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.939 -2.052 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.622 -1.231 -1.767 1.00 0.00 H new ATOM 274 N THR A 21 -2.662 -2.636 -4.174 1.00 0.00 N ATOM 275 CA THR A 21 -3.535 -1.660 -4.813 1.00 0.00 C ATOM 276 C THR A 21 -4.483 -1.025 -3.802 1.00 0.00 C ATOM 277 O THR A 21 -5.375 -1.687 -3.273 1.00 0.00 O ATOM 278 CB THR A 21 -4.362 -2.301 -5.943 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.494 -2.954 -6.876 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.195 -1.253 -6.666 1.00 0.00 C ATOM 0 H THR A 21 -3.128 -3.499 -3.893 1.00 0.00 H new ATOM 0 HA THR A 21 -2.891 -0.889 -5.237 1.00 0.00 H new ATOM 0 HB THR A 21 -5.035 -3.034 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.028 -3.360 -7.590 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.770 -1.730 -7.460 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.876 -0.778 -5.959 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.537 -0.499 -7.098 1.00 0.00 H new ATOM 288 N ALA A 22 -4.284 0.263 -3.540 1.00 0.00 N ATOM 289 CA ALA A 22 -5.124 0.988 -2.594 1.00 0.00 C ATOM 290 C ALA A 22 -6.603 0.768 -2.893 1.00 0.00 C ATOM 291 O ALA A 22 -7.103 1.177 -3.942 1.00 0.00 O ATOM 292 CB ALA A 22 -4.792 2.473 -2.625 1.00 0.00 C ATOM 0 H ALA A 22 -3.549 0.825 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.921 0.602 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.426 3.003 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.746 2.618 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.966 2.864 -3.628 1.00 0.00 H new ATOM 298 N LEU A 23 -7.299 0.120 -1.965 1.00 0.00 N ATOM 299 CA LEU A 23 -8.722 -0.155 -2.129 1.00 0.00 C ATOM 300 C LEU A 23 -9.540 1.129 -2.029 1.00 0.00 C ATOM 301 O LEU A 23 -10.547 1.291 -2.719 1.00 0.00 O ATOM 302 CB LEU A 23 -9.193 -1.156 -1.073 1.00 0.00 C ATOM 303 CG LEU A 23 -8.523 -2.530 -1.105 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.047 -3.406 0.022 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.747 -3.201 -2.452 1.00 0.00 C ATOM 0 H LEU A 23 -6.901 -0.225 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.872 -0.584 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.031 -0.718 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.268 -1.295 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.451 -2.393 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.559 -4.380 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.835 -2.932 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.124 -3.535 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.263 -4.178 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.816 -3.325 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.322 -2.582 -3.242 1.00 0.00 H new ATOM 317 N TYR A 24 -9.099 2.040 -1.169 1.00 0.00 N ATOM 318 CA TYR A 24 -9.790 3.310 -0.979 1.00 0.00 C ATOM 319 C TYR A 24 -8.794 4.460 -0.862 1.00 0.00 C ATOM 320 O TYR A 24 -7.581 4.248 -0.866 1.00 0.00 O ATOM 321 CB TYR A 24 -10.669 3.254 0.271 1.00 0.00 C ATOM 322 CG TYR A 24 -11.535 2.016 0.348 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.756 1.957 -0.312 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.131 0.906 1.080 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.550 0.828 -0.244 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.918 -0.227 1.152 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.127 -0.261 0.489 1.00 0.00 C ATOM 328 OH TYR A 24 -13.914 -1.387 0.559 1.00 0.00 O ATOM 0 H TYR A 24 -8.266 1.923 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.420 3.486 -1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.032 3.297 1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.308 4.136 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.090 2.807 -0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.186 0.930 1.602 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.497 0.799 -0.762 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.588 -1.082 1.724 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.470 -2.062 1.114 1.00 0.00 H new ATOM 338 N SER A 25 -9.316 5.678 -0.758 1.00 0.00 N ATOM 339 CA SER A 25 -8.474 6.863 -0.644 1.00 0.00 C ATOM 340 C SER A 25 -7.978 7.041 0.788 1.00 0.00 C ATOM 341 O SER A 25 -8.520 6.450 1.723 1.00 0.00 O ATOM 342 CB SER A 25 -9.246 8.107 -1.086 1.00 0.00 C ATOM 343 OG SER A 25 -10.102 8.570 -0.056 1.00 0.00 O ATOM 0 H SER A 25 -10.318 5.870 -0.750 1.00 0.00 H new ATOM 0 HA SER A 25 -7.610 6.729 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.545 8.895 -1.362 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.833 7.877 -1.975 1.00 0.00 H new ATOM 0 HG SER A 25 -10.583 9.367 -0.363 1.00 0.00 H new ATOM 349 N PHE A 26 -6.944 7.859 0.952 1.00 0.00 N ATOM 350 CA PHE A 26 -6.373 8.115 2.269 1.00 0.00 C ATOM 351 C PHE A 26 -5.587 9.423 2.276 1.00 0.00 C ATOM 352 O PHE A 26 -4.889 9.744 1.315 1.00 0.00 O ATOM 353 CB PHE A 26 -5.464 6.958 2.688 1.00 0.00 C ATOM 354 CG PHE A 26 -4.727 7.209 3.972 1.00 0.00 C ATOM 355 CD1 PHE A 26 -3.626 8.050 4.002 1.00 0.00 C ATOM 356 CD2 PHE A 26 -5.136 6.605 5.150 1.00 0.00 C ATOM 357 CE1 PHE A 26 -2.946 8.282 5.182 1.00 0.00 C ATOM 358 CE2 PHE A 26 -4.459 6.834 6.334 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.364 7.674 6.350 1.00 0.00 C ATOM 0 H PHE A 26 -6.484 8.356 0.189 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.193 8.200 2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.065 6.055 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.741 6.769 1.894 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.296 8.530 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.993 5.948 5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.088 8.938 5.191 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.787 6.356 7.245 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.835 7.856 7.274 1.00 0.00 H new ATOM 369 N GLU A 27 -5.708 10.173 3.367 1.00 0.00 N ATOM 370 CA GLU A 27 -5.010 11.447 3.499 1.00 0.00 C ATOM 371 C GLU A 27 -4.279 11.531 4.836 1.00 0.00 C ATOM 372 O GLU A 27 -4.888 11.791 5.873 1.00 0.00 O ATOM 373 CB GLU A 27 -5.996 12.610 3.369 1.00 0.00 C ATOM 374 CG GLU A 27 -6.289 13.002 1.931 1.00 0.00 C ATOM 375 CD GLU A 27 -7.413 14.014 1.820 1.00 0.00 C ATOM 376 OE1 GLU A 27 -7.561 14.839 2.746 1.00 0.00 O ATOM 377 OE2 GLU A 27 -8.143 13.983 0.808 1.00 0.00 O ATOM 0 H GLU A 27 -6.282 9.921 4.171 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.274 11.514 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.931 12.340 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.596 13.475 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.387 13.415 1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.550 12.110 1.361 1.00 0.00 H new ATOM 384 N GLY A 28 -2.969 11.309 4.803 1.00 0.00 N ATOM 385 CA GLY A 28 -2.176 11.363 6.017 1.00 0.00 C ATOM 386 C GLY A 28 -2.254 12.714 6.700 1.00 0.00 C ATOM 387 O GLY A 28 -1.737 13.706 6.187 1.00 0.00 O ATOM 0 H GLY A 28 -2.442 11.093 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.518 10.591 6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.136 11.139 5.779 1.00 0.00 H new ATOM 439 N GLY A 32 4.390 12.447 8.514 1.00 0.00 N ATOM 440 CA GLY A 32 5.023 11.142 8.569 1.00 0.00 C ATOM 441 C GLY A 32 4.195 10.068 7.891 1.00 0.00 C ATOM 442 O GLY A 32 4.709 9.003 7.550 1.00 0.00 O ATOM 0 HA2 GLY A 32 6.002 11.196 8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.189 10.866 9.610 1.00 0.00 H new ATOM 446 N ASP A 33 2.911 10.347 7.696 1.00 0.00 N ATOM 447 CA ASP A 33 2.011 9.396 7.055 1.00 0.00 C ATOM 448 C ASP A 33 2.155 9.450 5.537 1.00 0.00 C ATOM 449 O ASP A 33 2.945 10.232 5.005 1.00 0.00 O ATOM 450 CB ASP A 33 0.562 9.685 7.452 1.00 0.00 C ATOM 451 CG ASP A 33 0.181 9.030 8.765 1.00 0.00 C ATOM 452 OD1 ASP A 33 -0.103 7.813 8.760 1.00 0.00 O ATOM 453 OD2 ASP A 33 0.167 9.732 9.797 1.00 0.00 O ATOM 0 H ASP A 33 2.470 11.224 7.973 1.00 0.00 H new ATOM 0 HA ASP A 33 2.280 8.395 7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.418 10.763 7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.105 9.331 6.666 1.00 0.00 H new ATOM 458 N LEU A 34 1.389 8.614 4.845 1.00 0.00 N ATOM 459 CA LEU A 34 1.432 8.565 3.388 1.00 0.00 C ATOM 460 C LEU A 34 0.060 8.868 2.792 1.00 0.00 C ATOM 461 O LEU A 34 -0.965 8.444 3.322 1.00 0.00 O ATOM 462 CB LEU A 34 1.912 7.191 2.918 1.00 0.00 C ATOM 463 CG LEU A 34 2.032 7.003 1.405 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.371 7.526 0.908 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.858 5.538 1.034 1.00 0.00 C ATOM 0 H LEU A 34 0.731 7.961 5.270 1.00 0.00 H new ATOM 0 HA LEU A 34 2.133 9.325 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.886 6.996 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.226 6.437 3.304 1.00 0.00 H new ATOM 0 HG LEU A 34 1.240 7.575 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.439 7.384 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.456 8.588 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.179 6.982 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.946 5.423 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.628 4.944 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.875 5.195 1.356 1.00 0.00 H new ATOM 477 N ASN A 35 0.051 9.605 1.686 1.00 0.00 N ATOM 478 CA ASN A 35 -1.194 9.963 1.017 1.00 0.00 C ATOM 479 C ASN A 35 -1.343 9.204 -0.299 1.00 0.00 C ATOM 480 O ASN A 35 -0.498 9.309 -1.187 1.00 0.00 O ATOM 481 CB ASN A 35 -1.242 11.470 0.757 1.00 0.00 C ATOM 482 CG ASN A 35 -1.683 12.254 1.978 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.719 12.919 1.962 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.896 12.178 3.045 1.00 0.00 N ATOM 0 H ASN A 35 0.891 9.966 1.234 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.021 9.687 1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.256 11.814 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.926 11.672 -0.068 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.141 12.683 3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.046 11.614 3.013 1.00 0.00 H new ATOM 491 N PHE A 36 -2.425 8.441 -0.415 1.00 0.00 N ATOM 492 CA PHE A 36 -2.685 7.664 -1.622 1.00 0.00 C ATOM 493 C PHE A 36 -4.156 7.753 -2.019 1.00 0.00 C ATOM 494 O PHE A 36 -4.970 8.329 -1.298 1.00 0.00 O ATOM 495 CB PHE A 36 -2.292 6.201 -1.406 1.00 0.00 C ATOM 496 CG PHE A 36 -2.989 5.558 -0.242 1.00 0.00 C ATOM 497 CD1 PHE A 36 -4.256 5.016 -0.389 1.00 0.00 C ATOM 498 CD2 PHE A 36 -2.378 5.495 1.000 1.00 0.00 C ATOM 499 CE1 PHE A 36 -4.900 4.423 0.680 1.00 0.00 C ATOM 500 CE2 PHE A 36 -3.017 4.903 2.073 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.281 4.367 1.913 1.00 0.00 C ATOM 0 H PHE A 36 -3.135 8.344 0.311 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.082 8.080 -2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.516 5.636 -2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.215 6.142 -1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.746 5.058 -1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.391 5.913 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.887 4.004 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.529 4.859 3.036 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.783 3.906 2.750 1.00 0.00 H new ATOM 511 N GLN A 37 -4.487 7.180 -3.172 1.00 0.00 N ATOM 512 CA GLN A 37 -5.858 7.197 -3.666 1.00 0.00 C ATOM 513 C GLN A 37 -6.313 5.794 -4.056 1.00 0.00 C ATOM 514 O GLN A 37 -5.492 4.920 -4.333 1.00 0.00 O ATOM 515 CB GLN A 37 -5.979 8.137 -4.867 1.00 0.00 C ATOM 516 CG GLN A 37 -5.724 9.596 -4.525 1.00 0.00 C ATOM 517 CD GLN A 37 -4.256 9.966 -4.605 1.00 0.00 C ATOM 518 OE1 GLN A 37 -3.650 10.368 -3.612 1.00 0.00 O ATOM 519 NE2 GLN A 37 -3.676 9.833 -5.792 1.00 0.00 N ATOM 0 H GLN A 37 -3.825 6.699 -3.781 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.502 7.559 -2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.273 7.824 -5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.977 8.041 -5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.292 10.230 -5.206 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.092 9.799 -3.519 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.216 9.496 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.690 10.068 -5.907 1.00 0.00 H new ATOM 528 N ALA A 38 -7.625 5.587 -4.075 1.00 0.00 N ATOM 529 CA ALA A 38 -8.189 4.291 -4.433 1.00 0.00 C ATOM 530 C ALA A 38 -7.675 3.825 -5.791 1.00 0.00 C ATOM 531 O ALA A 38 -8.142 4.283 -6.833 1.00 0.00 O ATOM 532 CB ALA A 38 -9.709 4.360 -4.437 1.00 0.00 C ATOM 0 H ALA A 38 -8.318 6.300 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.871 3.565 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.117 3.386 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.063 4.640 -3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.038 5.104 -5.163 1.00 0.00 H new ATOM 538 N GLY A 39 -6.710 2.911 -5.771 1.00 0.00 N ATOM 539 CA GLY A 39 -6.148 2.399 -7.007 1.00 0.00 C ATOM 540 C GLY A 39 -4.643 2.568 -7.074 1.00 0.00 C ATOM 541 O GLY A 39 -3.942 1.731 -7.642 1.00 0.00 O ATOM 0 H GLY A 39 -6.307 2.516 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.396 1.342 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.606 2.914 -7.851 1.00 0.00 H new ATOM 545 N ASP A 40 -4.145 3.656 -6.495 1.00 0.00 N ATOM 546 CA ASP A 40 -2.714 3.933 -6.492 1.00 0.00 C ATOM 547 C ASP A 40 -1.937 2.776 -5.870 1.00 0.00 C ATOM 548 O ASP A 40 -2.269 2.308 -4.781 1.00 0.00 O ATOM 549 CB ASP A 40 -2.425 5.226 -5.728 1.00 0.00 C ATOM 550 CG ASP A 40 -2.463 6.449 -6.624 1.00 0.00 C ATOM 551 OD1 ASP A 40 -3.394 6.550 -7.449 1.00 0.00 O ATOM 552 OD2 ASP A 40 -1.561 7.304 -6.500 1.00 0.00 O ATOM 0 H ASP A 40 -4.712 4.360 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.390 4.050 -7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.156 5.343 -4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.445 5.155 -5.257 1.00 0.00 H new ATOM 557 N ARG A 41 -0.904 2.320 -6.570 1.00 0.00 N ATOM 558 CA ARG A 41 -0.082 1.217 -6.088 1.00 0.00 C ATOM 559 C ARG A 41 0.943 1.707 -5.070 1.00 0.00 C ATOM 560 O ARG A 41 1.624 2.709 -5.293 1.00 0.00 O ATOM 561 CB ARG A 41 0.631 0.535 -7.258 1.00 0.00 C ATOM 562 CG ARG A 41 -0.278 -0.357 -8.088 1.00 0.00 C ATOM 563 CD ARG A 41 -1.108 0.453 -9.071 1.00 0.00 C ATOM 564 NE ARG A 41 -1.723 -0.389 -10.093 1.00 0.00 N ATOM 565 CZ ARG A 41 -2.227 0.083 -11.228 1.00 0.00 C ATOM 566 NH1 ARG A 41 -2.190 1.383 -11.484 1.00 0.00 N ATOM 567 NH2 ARG A 41 -2.770 -0.747 -12.109 1.00 0.00 N ATOM 0 H ARG A 41 -0.616 2.697 -7.473 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.737 0.495 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.064 1.299 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.457 -0.062 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.323 -1.085 -8.632 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.939 -0.919 -7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.885 0.993 -8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.475 1.200 -9.550 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.768 -1.394 -9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.774 2.024 -10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.578 1.742 -12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.801 -1.748 -11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.157 -0.384 -12.980 1.00 0.00 H new ATOM 581 N ILE A 42 1.047 0.995 -3.953 1.00 0.00 N ATOM 582 CA ILE A 42 1.989 1.357 -2.902 1.00 0.00 C ATOM 583 C ILE A 42 3.048 0.276 -2.715 1.00 0.00 C ATOM 584 O ILE A 42 2.732 -0.871 -2.396 1.00 0.00 O ATOM 585 CB ILE A 42 1.271 1.593 -1.559 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.204 2.679 -1.711 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.275 1.976 -0.482 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.971 2.507 -0.775 1.00 0.00 C ATOM 0 H ILE A 42 0.490 0.164 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 42 2.470 2.283 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 42 0.780 0.667 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.660 3.653 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.158 2.680 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.753 2.139 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.002 1.173 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.791 2.891 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.687 3.312 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.452 1.548 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.621 2.536 0.257 1.00 0.00 H new ATOM 600 N THR A 43 4.308 0.649 -2.916 1.00 0.00 N ATOM 601 CA THR A 43 5.415 -0.289 -2.770 1.00 0.00 C ATOM 602 C THR A 43 5.703 -0.575 -1.301 1.00 0.00 C ATOM 603 O THR A 43 6.322 0.234 -0.610 1.00 0.00 O ATOM 604 CB THR A 43 6.696 0.246 -3.438 1.00 0.00 C ATOM 605 OG1 THR A 43 6.467 0.462 -4.835 1.00 0.00 O ATOM 606 CG2 THR A 43 7.850 -0.728 -3.252 1.00 0.00 C ATOM 0 H THR A 43 4.588 1.594 -3.180 1.00 0.00 H new ATOM 0 HA THR A 43 5.114 -1.213 -3.265 1.00 0.00 H new ATOM 0 HB THR A 43 6.959 1.191 -2.964 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.286 0.804 -5.252 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.744 -0.329 -3.732 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.041 -0.867 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.593 -1.687 -3.703 1.00 0.00 H new ATOM 614 N VAL A 44 5.250 -1.732 -0.828 1.00 0.00 N ATOM 615 CA VAL A 44 5.461 -2.126 0.560 1.00 0.00 C ATOM 616 C VAL A 44 6.932 -2.415 0.831 1.00 0.00 C ATOM 617 O VAL A 44 7.551 -3.231 0.148 1.00 0.00 O ATOM 618 CB VAL A 44 4.628 -3.370 0.923 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.845 -3.752 2.379 1.00 0.00 C ATOM 620 CG2 VAL A 44 3.154 -3.125 0.641 1.00 0.00 C ATOM 0 H VAL A 44 4.735 -2.413 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 44 5.139 -1.289 1.180 1.00 0.00 H new ATOM 0 HB VAL A 44 4.959 -4.202 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.248 -4.633 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.900 -3.973 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.543 -2.925 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.581 -4.014 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.805 -2.280 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.018 -2.905 -0.418 1.00 0.00 H new ATOM 630 N ILE A 45 7.487 -1.742 1.834 1.00 0.00 N ATOM 631 CA ILE A 45 8.886 -1.929 2.197 1.00 0.00 C ATOM 632 C ILE A 45 9.016 -2.596 3.562 1.00 0.00 C ATOM 633 O ILE A 45 9.905 -3.418 3.781 1.00 0.00 O ATOM 634 CB ILE A 45 9.646 -0.589 2.218 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.748 0.522 2.767 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.140 -0.238 0.823 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.459 1.847 2.932 1.00 0.00 C ATOM 0 H ILE A 45 6.989 -1.063 2.409 1.00 0.00 H new ATOM 0 HA ILE A 45 9.325 -2.575 1.437 1.00 0.00 H new ATOM 0 HB ILE A 45 10.511 -0.689 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.898 0.656 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.348 0.211 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.675 0.711 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.810 -1.020 0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.290 -0.153 0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.762 2.587 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.292 1.729 3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.836 2.181 1.965 1.00 0.00 H new ATOM 649 N SER A 46 8.121 -2.236 4.477 1.00 0.00 N ATOM 650 CA SER A 46 8.136 -2.798 5.823 1.00 0.00 C ATOM 651 C SER A 46 6.717 -3.039 6.327 1.00 0.00 C ATOM 652 O SER A 46 5.997 -2.099 6.666 1.00 0.00 O ATOM 653 CB SER A 46 8.878 -1.864 6.780 1.00 0.00 C ATOM 654 OG SER A 46 9.286 -2.552 7.950 1.00 0.00 O ATOM 0 H SER A 46 7.377 -1.558 4.311 1.00 0.00 H new ATOM 0 HA SER A 46 8.656 -3.755 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.750 -1.443 6.279 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.232 -1.029 7.052 1.00 0.00 H new ATOM 0 HG SER A 46 9.760 -1.934 8.545 1.00 0.00 H new ATOM 660 N LYS A 47 6.319 -4.306 6.373 1.00 0.00 N ATOM 661 CA LYS A 47 4.987 -4.674 6.836 1.00 0.00 C ATOM 662 C LYS A 47 5.040 -5.923 7.711 1.00 0.00 C ATOM 663 O LYS A 47 6.068 -6.596 7.788 1.00 0.00 O ATOM 664 CB LYS A 47 4.058 -4.914 5.644 1.00 0.00 C ATOM 665 CG LYS A 47 4.390 -6.170 4.857 1.00 0.00 C ATOM 666 CD LYS A 47 3.643 -7.379 5.395 1.00 0.00 C ATOM 667 CE LYS A 47 3.368 -8.397 4.299 1.00 0.00 C ATOM 668 NZ LYS A 47 3.284 -9.783 4.838 1.00 0.00 N ATOM 0 H LYS A 47 6.901 -5.096 6.095 1.00 0.00 H new ATOM 0 HA LYS A 47 4.597 -3.849 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.031 -4.981 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.107 -4.054 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.135 -6.021 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.463 -6.355 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.227 -7.846 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.701 -7.058 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.434 -8.146 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.158 -8.346 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.096 -10.447 4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.184 -10.032 5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.514 -9.838 5.535 1.00 0.00 H new ATOM 682 N THR A 48 3.925 -6.228 8.368 1.00 0.00 N ATOM 683 CA THR A 48 3.845 -7.395 9.237 1.00 0.00 C ATOM 684 C THR A 48 2.887 -8.437 8.671 1.00 0.00 C ATOM 685 O THR A 48 2.264 -8.221 7.631 1.00 0.00 O ATOM 686 CB THR A 48 3.387 -7.009 10.656 1.00 0.00 C ATOM 687 OG1 THR A 48 2.047 -6.505 10.618 1.00 0.00 O ATOM 688 CG2 THR A 48 4.311 -5.961 11.257 1.00 0.00 C ATOM 0 H THR A 48 3.065 -5.682 8.314 1.00 0.00 H new ATOM 0 HA THR A 48 4.848 -7.819 9.290 1.00 0.00 H new ATOM 0 HB THR A 48 3.422 -7.902 11.280 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.763 -6.263 11.524 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.967 -5.704 12.259 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.325 -6.358 11.312 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.304 -5.068 10.632 1.00 0.00 H new ATOM 696 N ASP A 49 2.772 -9.565 9.363 1.00 0.00 N ATOM 697 CA ASP A 49 1.887 -10.640 8.930 1.00 0.00 C ATOM 698 C ASP A 49 0.489 -10.463 9.515 1.00 0.00 C ATOM 699 O ASP A 49 -0.097 -11.406 10.045 1.00 0.00 O ATOM 700 CB ASP A 49 2.458 -11.998 9.343 1.00 0.00 C ATOM 701 CG ASP A 49 3.609 -12.435 8.460 1.00 0.00 C ATOM 702 OD1 ASP A 49 3.370 -12.703 7.264 1.00 0.00 O ATOM 703 OD2 ASP A 49 4.750 -12.510 8.964 1.00 0.00 O ATOM 0 H ASP A 49 3.280 -9.759 10.226 1.00 0.00 H new ATOM 0 HA ASP A 49 1.814 -10.601 7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.797 -11.947 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.668 -12.748 9.303 1.00 0.00 H new ATOM 708 N SER A 50 -0.038 -9.247 9.416 1.00 0.00 N ATOM 709 CA SER A 50 -1.365 -8.944 9.940 1.00 0.00 C ATOM 710 C SER A 50 -2.039 -7.852 9.114 1.00 0.00 C ATOM 711 O SER A 50 -1.502 -6.755 8.959 1.00 0.00 O ATOM 712 CB SER A 50 -1.271 -8.508 11.403 1.00 0.00 C ATOM 713 OG SER A 50 -0.684 -9.522 12.201 1.00 0.00 O ATOM 0 H SER A 50 0.433 -8.456 8.978 1.00 0.00 H new ATOM 0 HA SER A 50 -1.969 -9.849 9.876 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.680 -7.595 11.476 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.266 -8.274 11.781 1.00 0.00 H new ATOM 0 HG SER A 50 -0.634 -9.218 13.131 1.00 0.00 H new ATOM 719 N HIS A 51 -3.219 -8.162 8.586 1.00 0.00 N ATOM 720 CA HIS A 51 -3.968 -7.208 7.776 1.00 0.00 C ATOM 721 C HIS A 51 -4.550 -6.097 8.645 1.00 0.00 C ATOM 722 O HIS A 51 -4.777 -4.982 8.175 1.00 0.00 O ATOM 723 CB HIS A 51 -5.089 -7.919 7.018 1.00 0.00 C ATOM 724 CG HIS A 51 -6.109 -8.553 7.913 1.00 0.00 C ATOM 725 ND1 HIS A 51 -5.864 -9.700 8.639 1.00 0.00 N ATOM 726 CD2 HIS A 51 -7.382 -8.193 8.199 1.00 0.00 C ATOM 727 CE1 HIS A 51 -6.943 -10.019 9.331 1.00 0.00 C ATOM 728 NE2 HIS A 51 -7.878 -9.120 9.082 1.00 0.00 N ATOM 0 H HIS A 51 -3.677 -9.066 8.705 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.281 -6.761 7.057 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.586 -7.202 6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.654 -8.686 6.377 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.909 -7.336 7.806 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.044 -10.870 9.988 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.817 -9.115 9.481 1.00 0.00 H new ATOM 737 N PHE A 52 -4.791 -6.410 9.914 1.00 0.00 N ATOM 738 CA PHE A 52 -5.349 -5.439 10.848 1.00 0.00 C ATOM 739 C PHE A 52 -4.241 -4.638 11.527 1.00 0.00 C ATOM 740 O PHE A 52 -4.225 -4.494 12.749 1.00 0.00 O ATOM 741 CB PHE A 52 -6.202 -6.146 11.903 1.00 0.00 C ATOM 742 CG PHE A 52 -7.093 -5.216 12.676 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.243 -4.701 12.102 1.00 0.00 C ATOM 744 CD2 PHE A 52 -6.779 -4.857 13.977 1.00 0.00 C ATOM 745 CE1 PHE A 52 -9.065 -3.845 12.810 1.00 0.00 C ATOM 746 CE2 PHE A 52 -7.597 -4.002 14.690 1.00 0.00 C ATOM 747 CZ PHE A 52 -8.741 -3.494 14.106 1.00 0.00 C ATOM 0 H PHE A 52 -4.609 -7.328 10.319 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.978 -4.750 10.284 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.816 -6.902 11.415 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.546 -6.669 12.598 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.501 -4.972 11.089 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.885 -5.250 14.439 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.960 -3.451 12.351 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.342 -3.731 15.704 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.381 -2.824 14.661 1.00 0.00 H new ATOM 757 N ASP A 53 -3.317 -4.121 10.725 1.00 0.00 N ATOM 758 CA ASP A 53 -2.205 -3.335 11.246 1.00 0.00 C ATOM 759 C ASP A 53 -1.699 -2.347 10.199 1.00 0.00 C ATOM 760 O ASP A 53 -1.907 -2.538 9.001 1.00 0.00 O ATOM 761 CB ASP A 53 -1.066 -4.254 11.690 1.00 0.00 C ATOM 762 CG ASP A 53 -1.498 -5.234 12.764 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.250 -6.177 12.439 1.00 0.00 O ATOM 764 OD2 ASP A 53 -1.083 -5.058 13.928 1.00 0.00 O ATOM 0 H ASP A 53 -3.316 -4.232 9.711 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.564 -2.772 12.107 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.691 -4.806 10.828 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.240 -3.649 12.065 1.00 0.00 H new ATOM 769 N TRP A 54 -1.037 -1.293 10.660 1.00 0.00 N ATOM 770 CA TRP A 54 -0.503 -0.274 9.763 1.00 0.00 C ATOM 771 C TRP A 54 0.860 -0.689 9.219 1.00 0.00 C ATOM 772 O TRP A 54 1.754 -1.060 9.979 1.00 0.00 O ATOM 773 CB TRP A 54 -0.390 1.067 10.490 1.00 0.00 C ATOM 774 CG TRP A 54 -1.715 1.721 10.739 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.799 1.167 11.358 1.00 0.00 C ATOM 776 CD2 TRP A 54 -2.096 3.052 10.374 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.831 2.073 11.399 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.425 3.237 10.803 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.443 4.105 9.728 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.110 4.433 10.604 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.125 5.291 9.531 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.447 5.447 9.969 1.00 0.00 C ATOM 0 H TRP A 54 -0.857 -1.121 11.649 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.191 -0.167 8.924 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.116 0.914 11.443 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.234 1.740 9.902 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.839 0.164 11.757 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.751 1.906 11.807 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.424 3.994 9.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.129 4.556 10.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.631 6.111 9.031 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.952 6.387 9.802 1.00 0.00 H new ATOM 793 N TRP A 55 1.011 -0.622 7.901 1.00 0.00 N ATOM 794 CA TRP A 55 2.267 -0.990 7.257 1.00 0.00 C ATOM 795 C TRP A 55 2.977 0.241 6.705 1.00 0.00 C ATOM 796 O TRP A 55 2.452 1.352 6.770 1.00 0.00 O ATOM 797 CB TRP A 55 2.011 -1.994 6.132 1.00 0.00 C ATOM 798 CG TRP A 55 1.441 -3.294 6.614 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.468 -3.777 7.890 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.761 -4.276 5.825 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.846 -5.002 7.943 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.403 -5.330 6.689 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.418 -4.368 4.473 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.279 -6.458 6.243 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.259 -5.489 4.032 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.603 -6.522 4.915 1.00 0.00 C ATOM 0 H TRP A 55 0.280 -0.317 7.258 1.00 0.00 H new ATOM 0 HA TRP A 55 2.910 -1.451 8.007 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.326 -1.551 5.409 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.947 -2.188 5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.913 -3.271 8.734 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.733 -5.574 8.780 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.678 -3.577 3.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.543 -7.255 6.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.528 -5.571 2.989 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.134 -7.385 4.540 1.00 0.00 H new ATOM 817 N GLU A 56 4.173 0.035 6.161 1.00 0.00 N ATOM 818 CA GLU A 56 4.954 1.130 5.599 1.00 0.00 C ATOM 819 C GLU A 56 5.282 0.867 4.132 1.00 0.00 C ATOM 820 O GLU A 56 5.998 -0.078 3.804 1.00 0.00 O ATOM 821 CB GLU A 56 6.246 1.326 6.394 1.00 0.00 C ATOM 822 CG GLU A 56 7.017 2.576 6.005 1.00 0.00 C ATOM 823 CD GLU A 56 8.176 2.861 6.940 1.00 0.00 C ATOM 824 OE1 GLU A 56 7.922 3.279 8.089 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.337 2.667 6.523 1.00 0.00 O ATOM 0 H GLU A 56 4.621 -0.879 6.098 1.00 0.00 H new ATOM 0 HA GLU A 56 4.356 2.039 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.005 1.374 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.886 0.455 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.394 2.464 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.339 3.430 6.001 1.00 0.00 H new ATOM 832 N GLY A 57 4.750 1.711 3.252 1.00 0.00 N ATOM 833 CA GLY A 57 4.996 1.553 1.831 1.00 0.00 C ATOM 834 C GLY A 57 5.468 2.837 1.178 1.00 0.00 C ATOM 835 O GLY A 57 5.567 3.875 1.832 1.00 0.00 O ATOM 0 H GLY A 57 4.153 2.501 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.745 0.775 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.082 1.215 1.343 1.00 0.00 H new ATOM 839 N LYS A 58 5.762 2.767 -0.116 1.00 0.00 N ATOM 840 CA LYS A 58 6.227 3.932 -0.859 1.00 0.00 C ATOM 841 C LYS A 58 5.321 4.213 -2.054 1.00 0.00 C ATOM 842 O LYS A 58 4.857 3.290 -2.725 1.00 0.00 O ATOM 843 CB LYS A 58 7.665 3.718 -1.336 1.00 0.00 C ATOM 844 CG LYS A 58 8.712 4.110 -0.307 1.00 0.00 C ATOM 845 CD LYS A 58 9.998 3.322 -0.492 1.00 0.00 C ATOM 846 CE LYS A 58 10.911 3.978 -1.517 1.00 0.00 C ATOM 847 NZ LYS A 58 12.301 3.450 -1.439 1.00 0.00 N ATOM 0 H LYS A 58 5.686 1.915 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 58 6.196 4.793 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.800 2.668 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.827 4.296 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.923 5.176 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.320 3.939 0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.518 3.243 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.761 2.307 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.514 3.809 -2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.922 5.056 -1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.892 3.922 -2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.689 3.634 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.294 2.425 -1.618 1.00 0.00 H new ATOM 861 N LEU A 59 5.073 5.492 -2.315 1.00 0.00 N ATOM 862 CA LEU A 59 4.223 5.894 -3.431 1.00 0.00 C ATOM 863 C LEU A 59 4.752 7.165 -4.087 1.00 0.00 C ATOM 864 O LEU A 59 5.020 8.159 -3.412 1.00 0.00 O ATOM 865 CB LEU A 59 2.788 6.113 -2.950 1.00 0.00 C ATOM 866 CG LEU A 59 1.836 6.765 -3.955 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.560 5.823 -5.117 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.537 7.169 -3.273 1.00 0.00 C ATOM 0 H LEU A 59 5.448 6.268 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 59 4.233 5.094 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.372 5.148 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.817 6.732 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 59 2.312 7.664 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.881 6.303 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.496 5.583 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.105 4.906 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.128 7.631 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.057 6.285 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.751 7.880 -2.475 1.00 0.00 H new ATOM 880 N ARG A 60 4.897 7.127 -5.408 1.00 0.00 N ATOM 881 CA ARG A 60 5.393 8.276 -6.156 1.00 0.00 C ATOM 882 C ARG A 60 6.646 8.851 -5.502 1.00 0.00 C ATOM 883 O ARG A 60 6.887 10.056 -5.551 1.00 0.00 O ATOM 884 CB ARG A 60 4.312 9.355 -6.249 1.00 0.00 C ATOM 885 CG ARG A 60 3.108 8.941 -7.079 1.00 0.00 C ATOM 886 CD ARG A 60 1.849 9.668 -6.636 1.00 0.00 C ATOM 887 NE ARG A 60 0.693 9.311 -7.455 1.00 0.00 N ATOM 888 CZ ARG A 60 0.552 9.675 -8.724 1.00 0.00 C ATOM 889 NH1 ARG A 60 1.488 10.402 -9.317 1.00 0.00 N ATOM 890 NH2 ARG A 60 -0.529 9.311 -9.403 1.00 0.00 N ATOM 0 H ARG A 60 4.678 6.313 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 60 5.650 7.941 -7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.979 9.611 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.747 10.257 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.300 9.152 -8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.958 7.865 -6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.641 9.430 -5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.014 10.744 -6.691 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.046 8.752 -7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.320 10.684 -8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.376 10.680 -10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.252 8.752 -8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.637 9.591 -10.378 1.00 0.00 H new ATOM 904 N GLY A 61 7.440 7.979 -4.888 1.00 0.00 N ATOM 905 CA GLY A 61 8.658 8.419 -4.232 1.00 0.00 C ATOM 906 C GLY A 61 8.448 8.721 -2.762 1.00 0.00 C ATOM 907 O GLY A 61 9.378 8.619 -1.962 1.00 0.00 O ATOM 0 H GLY A 61 7.262 6.976 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.422 7.648 -4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.035 9.311 -4.733 1.00 0.00 H new ATOM 911 N GLN A 62 7.224 9.096 -2.405 1.00 0.00 N ATOM 912 CA GLN A 62 6.897 9.417 -1.021 1.00 0.00 C ATOM 913 C GLN A 62 6.865 8.156 -0.163 1.00 0.00 C ATOM 914 O GLN A 62 6.749 7.044 -0.679 1.00 0.00 O ATOM 915 CB GLN A 62 5.547 10.133 -0.947 1.00 0.00 C ATOM 916 CG GLN A 62 5.599 11.579 -1.413 1.00 0.00 C ATOM 917 CD GLN A 62 5.918 12.544 -0.289 1.00 0.00 C ATOM 918 OE1 GLN A 62 7.073 12.924 -0.091 1.00 0.00 O ATOM 919 NE2 GLN A 62 4.895 12.946 0.455 1.00 0.00 N ATOM 0 H GLN A 62 6.443 9.185 -3.055 1.00 0.00 H new ATOM 0 HA GLN A 62 7.673 10.078 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.823 9.590 -1.555 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.186 10.104 0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.351 11.678 -2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.640 11.848 -1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.954 12.606 0.255 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.049 13.595 1.226 1.00 0.00 H new ATOM 928 N THR A 63 6.968 8.337 1.150 1.00 0.00 N ATOM 929 CA THR A 63 6.953 7.215 2.079 1.00 0.00 C ATOM 930 C THR A 63 6.151 7.549 3.332 1.00 0.00 C ATOM 931 O THR A 63 6.082 8.706 3.746 1.00 0.00 O ATOM 932 CB THR A 63 8.380 6.807 2.491 1.00 0.00 C ATOM 933 OG1 THR A 63 9.270 6.949 1.378 1.00 0.00 O ATOM 934 CG2 THR A 63 8.410 5.370 2.989 1.00 0.00 C ATOM 0 H THR A 63 7.063 9.251 1.594 1.00 0.00 H new ATOM 0 HA THR A 63 6.480 6.381 1.559 1.00 0.00 H new ATOM 0 HB THR A 63 8.702 7.462 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.176 6.689 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.428 5.105 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.754 5.271 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.070 4.703 2.197 1.00 0.00 H new ATOM 942 N GLY A 64 5.547 6.529 3.933 1.00 0.00 N ATOM 943 CA GLY A 64 4.758 6.736 5.133 1.00 0.00 C ATOM 944 C GLY A 64 4.026 5.482 5.569 1.00 0.00 C ATOM 945 O GLY A 64 4.146 4.433 4.936 1.00 0.00 O ATOM 0 H GLY A 64 5.590 5.562 3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.410 7.071 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.035 7.532 4.956 1.00 0.00 H new ATOM 949 N ILE A 65 3.267 5.589 6.655 1.00 0.00 N ATOM 950 CA ILE A 65 2.514 4.455 7.175 1.00 0.00 C ATOM 951 C ILE A 65 1.048 4.534 6.765 1.00 0.00 C ATOM 952 O ILE A 65 0.522 5.617 6.505 1.00 0.00 O ATOM 953 CB ILE A 65 2.603 4.377 8.710 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.163 5.702 9.337 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.018 4.024 9.142 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.546 5.546 10.709 1.00 0.00 C ATOM 0 H ILE A 65 3.158 6.450 7.191 1.00 0.00 H new ATOM 0 HA ILE A 65 2.960 3.557 6.747 1.00 0.00 H new ATOM 0 HB ILE A 65 1.932 3.592 9.058 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.025 6.365 9.409 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.443 6.186 8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.064 3.973 10.230 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.297 3.058 8.721 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.709 4.788 8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.258 6.525 11.092 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.664 4.909 10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.271 5.091 11.384 1.00 0.00 H new ATOM 968 N PHE A 66 0.391 3.380 6.710 1.00 0.00 N ATOM 969 CA PHE A 66 -1.016 3.319 6.332 1.00 0.00 C ATOM 970 C PHE A 66 -1.618 1.965 6.696 1.00 0.00 C ATOM 971 O PHE A 66 -0.929 0.946 6.757 1.00 0.00 O ATOM 972 CB PHE A 66 -1.175 3.573 4.832 1.00 0.00 C ATOM 973 CG PHE A 66 -0.583 2.492 3.974 1.00 0.00 C ATOM 974 CD1 PHE A 66 0.759 2.519 3.630 1.00 0.00 C ATOM 975 CD2 PHE A 66 -1.368 1.448 3.513 1.00 0.00 C ATOM 976 CE1 PHE A 66 1.306 1.525 2.841 1.00 0.00 C ATOM 977 CE2 PHE A 66 -0.827 0.451 2.723 1.00 0.00 C ATOM 978 CZ PHE A 66 0.513 0.489 2.387 1.00 0.00 C ATOM 0 H PHE A 66 0.810 2.475 6.922 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.548 4.094 6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.235 3.671 4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.704 4.524 4.581 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.384 3.326 3.982 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.415 1.413 3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.353 1.558 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.451 -0.357 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.939 -0.289 1.771 1.00 0.00 H new ATOM 988 N PRO A 67 -2.936 1.952 6.946 1.00 0.00 N ATOM 989 CA PRO A 67 -3.661 0.730 7.309 1.00 0.00 C ATOM 990 C PRO A 67 -3.773 -0.245 6.142 1.00 0.00 C ATOM 991 O PRO A 67 -4.317 0.090 5.090 1.00 0.00 O ATOM 992 CB PRO A 67 -5.046 1.245 7.710 1.00 0.00 C ATOM 993 CG PRO A 67 -5.198 2.532 6.975 1.00 0.00 C ATOM 994 CD PRO A 67 -3.820 3.128 6.893 1.00 0.00 C ATOM 0 HA PRO A 67 -3.153 0.174 8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.827 0.537 7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.117 1.394 8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.611 2.367 5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.882 3.201 7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.681 3.694 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.628 3.812 7.719 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.255 -1.454 6.336 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.300 -2.479 5.301 1.00 0.00 C ATOM 1004 C ALA A 68 -4.735 -2.761 4.869 1.00 0.00 C ATOM 1005 O ALA A 68 -4.973 -3.317 3.797 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.634 -3.756 5.792 1.00 0.00 C ATOM 0 H ALA A 68 -2.800 -1.747 7.200 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.754 -2.108 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.675 -4.512 5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.594 -3.550 6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.155 -4.121 6.677 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.688 -2.375 5.711 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.101 -2.588 5.416 1.00 0.00 C ATOM 1014 C ASN A 69 -7.552 -1.709 4.254 1.00 0.00 C ATOM 1015 O ASN A 69 -8.622 -1.920 3.681 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.951 -2.294 6.653 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.256 -3.067 6.655 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -9.339 -4.167 7.201 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -10.284 -2.492 6.041 1.00 0.00 N ATOM 0 H ASN A 69 -5.508 -1.913 6.603 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.234 -3.632 5.132 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.383 -2.544 7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.164 -1.226 6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.188 -2.964 6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.170 -1.579 5.602 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.731 -0.724 3.911 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.046 0.189 2.818 1.00 0.00 C ATOM 1028 C TYR A 70 -6.385 -0.266 1.520 1.00 0.00 C ATOM 1029 O TYR A 70 -6.438 0.430 0.506 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.593 1.608 3.164 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.603 2.384 3.979 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.111 1.870 5.165 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -8.049 3.633 3.562 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.034 2.576 5.912 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.971 4.346 4.303 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.461 3.813 5.477 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.380 4.520 6.219 1.00 0.00 O ATOM 0 H TYR A 70 -5.842 -0.537 4.374 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.127 0.185 2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.655 1.556 3.717 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.389 2.151 2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.779 0.902 5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.668 4.053 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.419 2.161 6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.306 5.315 3.965 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.574 5.372 5.775 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.762 -1.439 1.561 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.092 -1.990 0.389 1.00 0.00 C ATOM 1049 C VAL A 71 -5.340 -3.489 0.267 1.00 0.00 C ATOM 1050 O VAL A 71 -5.985 -4.095 1.124 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.573 -1.735 0.440 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.287 -0.289 0.816 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.906 -2.691 1.417 1.00 0.00 C ATOM 0 H VAL A 71 -5.707 -2.026 2.393 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.510 -1.484 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.157 -1.916 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.209 -0.127 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.732 0.375 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.714 -0.077 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.834 -2.497 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.324 -2.543 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.082 -3.718 1.098 1.00 0.00 H new ATOM 1063 N THR A 72 -4.825 -4.084 -0.805 1.00 0.00 N ATOM 1064 CA THR A 72 -4.991 -5.512 -1.040 1.00 0.00 C ATOM 1065 C THR A 72 -3.724 -6.124 -1.627 1.00 0.00 C ATOM 1066 O THR A 72 -3.069 -5.521 -2.476 1.00 0.00 O ATOM 1067 CB THR A 72 -6.170 -5.791 -1.991 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.334 -7.203 -2.167 1.00 0.00 O ATOM 1069 CG2 THR A 72 -5.944 -5.129 -3.342 1.00 0.00 C ATOM 0 H THR A 72 -4.289 -3.598 -1.524 1.00 0.00 H new ATOM 0 HA THR A 72 -5.197 -5.970 -0.072 1.00 0.00 H new ATOM 0 HB THR A 72 -7.073 -5.373 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.087 -7.372 -2.772 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.790 -5.340 -3.997 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.849 -4.051 -3.208 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.031 -5.521 -3.791 1.00 0.00 H new