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= -0.174 USER MOD Single : A 35 ASN : amide:sc= -2.76 X(o=-2.8,f=-2.6!) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.71) 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 8:sc= 0.292 USER MOD Single : A 51 HIS : no HD1:sc= -2.15! C(o=-2.1!,f=-2!) 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=-0.021) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0205 USER MOD Single : A 69 ASN : amide:sc= -0.795 K(o=-0.79,f=-1.5) 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 10.319 -6.045 -1.978 1.00 0.00 N ATOM 211 CA PRO A 17 9.084 -5.373 -1.567 1.00 0.00 C ATOM 212 C PRO A 17 7.840 -6.046 -2.137 1.00 0.00 C ATOM 213 O PRO A 17 7.938 -7.005 -2.903 1.00 0.00 O ATOM 214 CB PRO A 17 9.239 -3.962 -2.141 1.00 0.00 C ATOM 215 CG PRO A 17 10.164 -4.124 -3.298 1.00 0.00 C ATOM 216 CD PRO A 17 11.107 -5.234 -2.922 1.00 0.00 C ATOM 0 HA PRO A 17 8.949 -5.396 -0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.278 -3.555 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.648 -3.276 -1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.614 -4.370 -4.206 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.708 -3.200 -3.495 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.412 -5.814 -3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.016 -4.850 -2.460 1.00 0.00 H new ATOM 224 N ILE A 18 6.672 -5.537 -1.759 1.00 0.00 N ATOM 225 CA ILE A 18 5.409 -6.089 -2.235 1.00 0.00 C ATOM 226 C ILE A 18 4.565 -5.020 -2.921 1.00 0.00 C ATOM 227 O ILE A 18 4.701 -3.831 -2.633 1.00 0.00 O ATOM 228 CB ILE A 18 4.596 -6.709 -1.083 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.520 -7.466 -0.128 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.520 -7.633 -1.633 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.799 -8.074 1.055 1.00 0.00 C ATOM 0 H ILE A 18 6.574 -4.744 -1.125 1.00 0.00 H new ATOM 0 HA ILE A 18 5.657 -6.869 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 18 4.110 -5.907 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.029 -8.257 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.289 -6.785 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.954 -8.064 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.848 -7.066 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.986 -8.432 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.516 -8.595 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.312 -7.285 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.048 -8.780 0.700 1.00 0.00 H new ATOM 243 N GLU A 19 3.694 -5.452 -3.826 1.00 0.00 N ATOM 244 CA GLU A 19 2.827 -4.530 -4.552 1.00 0.00 C ATOM 245 C GLU A 19 1.374 -4.693 -4.115 1.00 0.00 C ATOM 246 O GLU A 19 0.813 -5.787 -4.181 1.00 0.00 O ATOM 247 CB GLU A 19 2.947 -4.762 -6.060 1.00 0.00 C ATOM 248 CG GLU A 19 4.061 -3.960 -6.712 1.00 0.00 C ATOM 249 CD GLU A 19 4.112 -4.149 -8.216 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.631 -5.196 -8.698 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.632 -3.251 -8.909 1.00 0.00 O ATOM 0 H GLU A 19 3.569 -6.433 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 19 3.146 -3.513 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.119 -5.823 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.000 -4.506 -6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.922 -2.903 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.017 -4.255 -6.280 1.00 0.00 H new ATOM 258 N VAL A 20 0.770 -3.596 -3.669 1.00 0.00 N ATOM 259 CA VAL A 20 -0.618 -3.615 -3.222 1.00 0.00 C ATOM 260 C VAL A 20 -1.413 -2.476 -3.849 1.00 0.00 C ATOM 261 O VAL A 20 -0.900 -1.372 -4.032 1.00 0.00 O ATOM 262 CB VAL A 20 -0.715 -3.511 -1.688 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.139 -4.756 -1.030 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.004 -2.260 -1.194 1.00 0.00 C ATOM 0 H VAL A 20 1.220 -2.683 -3.608 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.040 -4.568 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.767 -3.437 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.216 -4.664 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.696 -5.633 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.909 -4.864 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.082 -2.202 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.047 -2.302 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.467 -1.379 -1.639 1.00 0.00 H new ATOM 274 N THR A 21 -2.672 -2.751 -4.178 1.00 0.00 N ATOM 275 CA THR A 21 -3.539 -1.750 -4.785 1.00 0.00 C ATOM 276 C THR A 21 -4.472 -1.130 -3.751 1.00 0.00 C ATOM 277 O THR A 21 -5.279 -1.824 -3.135 1.00 0.00 O ATOM 278 CB THR A 21 -4.383 -2.355 -5.924 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.545 -3.110 -6.807 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.098 -1.263 -6.705 1.00 0.00 C ATOM 0 H THR A 21 -3.113 -3.659 -4.034 1.00 0.00 H new ATOM 0 HA THR A 21 -2.890 -0.976 -5.194 1.00 0.00 H new ATOM 0 HB THR A 21 -5.131 -3.014 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.089 -3.492 -7.527 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.687 -1.713 -7.504 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.757 -0.709 -6.036 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.363 -0.583 -7.136 1.00 0.00 H new ATOM 288 N ALA A 22 -4.355 0.181 -3.567 1.00 0.00 N ATOM 289 CA ALA A 22 -5.190 0.895 -2.609 1.00 0.00 C ATOM 290 C ALA A 22 -6.667 0.767 -2.966 1.00 0.00 C ATOM 291 O ALA A 22 -7.124 1.320 -3.967 1.00 0.00 O ATOM 292 CB ALA A 22 -4.785 2.360 -2.546 1.00 0.00 C ATOM 0 H ALA A 22 -3.690 0.770 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.040 0.445 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.417 2.881 -1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.743 2.436 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.905 2.813 -3.530 1.00 0.00 H new ATOM 298 N LEU A 23 -7.409 0.035 -2.142 1.00 0.00 N ATOM 299 CA LEU A 23 -8.835 -0.166 -2.372 1.00 0.00 C ATOM 300 C LEU A 23 -9.605 1.138 -2.190 1.00 0.00 C ATOM 301 O LEU A 23 -10.604 1.381 -2.867 1.00 0.00 O ATOM 302 CB LEU A 23 -9.380 -1.230 -1.418 1.00 0.00 C ATOM 303 CG LEU A 23 -8.690 -2.594 -1.469 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.245 -3.514 -0.392 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.851 -3.222 -2.845 1.00 0.00 C ATOM 0 H LEU A 23 -7.047 -0.429 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.968 -0.505 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.309 -0.847 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.439 -1.373 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.626 -2.449 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.742 -4.480 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.076 -3.069 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.315 -3.653 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.354 -4.192 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.911 -3.353 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.404 -2.571 -3.597 1.00 0.00 H new ATOM 317 N TYR A 24 -9.132 1.975 -1.273 1.00 0.00 N ATOM 318 CA TYR A 24 -9.776 3.255 -1.002 1.00 0.00 C ATOM 319 C TYR A 24 -8.739 4.358 -0.816 1.00 0.00 C ATOM 320 O TYR A 24 -7.571 4.087 -0.536 1.00 0.00 O ATOM 321 CB TYR A 24 -10.658 3.153 0.243 1.00 0.00 C ATOM 322 CG TYR A 24 -11.520 1.911 0.274 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.718 1.856 -0.428 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.138 0.794 1.006 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.509 0.724 -0.402 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.922 -0.343 1.037 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.107 -0.373 0.331 1.00 0.00 C ATOM 328 OH TYR A 24 -13.892 -1.503 0.360 1.00 0.00 O ATOM 0 H TYR A 24 -8.305 1.790 -0.705 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.399 3.508 -1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.024 3.167 1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.300 4.032 0.296 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.036 2.713 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.212 0.815 1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.438 0.698 -0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.609 -1.203 1.610 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.465 -2.184 0.921 1.00 0.00 H new ATOM 338 N SER A 25 -9.175 5.604 -0.972 1.00 0.00 N ATOM 339 CA SER A 25 -8.284 6.750 -0.824 1.00 0.00 C ATOM 340 C SER A 25 -7.885 6.942 0.636 1.00 0.00 C ATOM 341 O SER A 25 -8.485 6.357 1.538 1.00 0.00 O ATOM 342 CB SER A 25 -8.959 8.018 -1.351 1.00 0.00 C ATOM 343 OG SER A 25 -8.096 9.137 -1.244 1.00 0.00 O ATOM 0 H SER A 25 -10.139 5.846 -1.201 1.00 0.00 H new ATOM 0 HA SER A 25 -7.383 6.557 -1.407 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.246 7.875 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.875 8.206 -0.791 1.00 0.00 H new ATOM 0 HG SER A 25 -8.550 9.934 -1.589 1.00 0.00 H new ATOM 349 N PHE A 26 -6.867 7.766 0.860 1.00 0.00 N ATOM 350 CA PHE A 26 -6.385 8.036 2.210 1.00 0.00 C ATOM 351 C PHE A 26 -5.592 9.339 2.254 1.00 0.00 C ATOM 352 O PHE A 26 -5.075 9.797 1.236 1.00 0.00 O ATOM 353 CB PHE A 26 -5.513 6.879 2.704 1.00 0.00 C ATOM 354 CG PHE A 26 -4.808 7.170 3.997 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.450 6.980 5.210 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.502 7.633 4.000 1.00 0.00 C ATOM 357 CE1 PHE A 26 -4.804 7.247 6.402 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.850 7.901 5.189 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.502 7.709 6.392 1.00 0.00 C ATOM 0 H PHE A 26 -6.360 8.258 0.125 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.251 8.135 2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.136 5.993 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.772 6.641 1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.468 6.619 5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.988 7.786 3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.316 7.095 7.340 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.832 8.260 5.178 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.995 7.920 7.322 1.00 0.00 H new ATOM 369 N GLU A 27 -5.502 9.930 3.441 1.00 0.00 N ATOM 370 CA GLU A 27 -4.773 11.181 3.618 1.00 0.00 C ATOM 371 C GLU A 27 -3.965 11.162 4.912 1.00 0.00 C ATOM 372 O GLU A 27 -4.517 11.284 6.004 1.00 0.00 O ATOM 373 CB GLU A 27 -5.743 12.364 3.627 1.00 0.00 C ATOM 374 CG GLU A 27 -6.107 12.864 2.239 1.00 0.00 C ATOM 375 CD GLU A 27 -6.795 14.216 2.268 1.00 0.00 C ATOM 376 OE1 GLU A 27 -7.638 14.434 3.162 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.488 15.055 1.395 1.00 0.00 O ATOM 0 H GLU A 27 -5.924 9.563 4.294 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.083 11.292 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.654 12.072 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.299 13.182 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.204 12.933 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.761 12.138 1.755 1.00 0.00 H new ATOM 384 N GLY A 28 -2.651 11.007 4.779 1.00 0.00 N ATOM 385 CA GLY A 28 -1.786 10.973 5.944 1.00 0.00 C ATOM 386 C GLY A 28 -2.066 12.111 6.906 1.00 0.00 C ATOM 387 O GLY A 28 -1.654 13.246 6.670 1.00 0.00 O ATOM 0 H GLY A 28 -2.170 10.904 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.916 10.023 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.746 11.021 5.622 1.00 0.00 H new ATOM 439 N GLY A 32 4.113 12.213 9.155 1.00 0.00 N ATOM 440 CA GLY A 32 4.959 11.109 8.742 1.00 0.00 C ATOM 441 C GLY A 32 4.170 9.974 8.120 1.00 0.00 C ATOM 442 O GLY A 32 4.566 8.812 8.208 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.697 11.469 8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.509 10.734 9.605 1.00 0.00 H new ATOM 446 N ASP A 33 3.050 10.311 7.490 1.00 0.00 N ATOM 447 CA ASP A 33 2.202 9.311 6.851 1.00 0.00 C ATOM 448 C ASP A 33 2.317 9.391 5.332 1.00 0.00 C ATOM 449 O ASP A 33 3.080 10.198 4.799 1.00 0.00 O ATOM 450 CB ASP A 33 0.745 9.501 7.275 1.00 0.00 C ATOM 451 CG ASP A 33 0.517 9.158 8.734 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.437 8.594 9.362 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.583 9.452 9.248 1.00 0.00 O ATOM 0 H ASP A 33 2.708 11.269 7.408 1.00 0.00 H new ATOM 0 HA ASP A 33 2.540 8.326 7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.450 10.535 7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.104 8.876 6.653 1.00 0.00 H new ATOM 458 N LEU A 34 1.557 8.549 4.641 1.00 0.00 N ATOM 459 CA LEU A 34 1.575 8.523 3.183 1.00 0.00 C ATOM 460 C LEU A 34 0.188 8.814 2.616 1.00 0.00 C ATOM 461 O LEU A 34 -0.821 8.368 3.160 1.00 0.00 O ATOM 462 CB LEU A 34 2.067 7.164 2.683 1.00 0.00 C ATOM 463 CG LEU A 34 2.189 7.011 1.166 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.537 7.523 0.684 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.992 5.558 0.760 1.00 0.00 C ATOM 0 H LEU A 34 0.921 7.875 5.067 1.00 0.00 H new ATOM 0 HA LEU A 34 2.259 9.299 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.043 6.967 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.388 6.396 3.052 1.00 0.00 H new ATOM 0 HG LEU A 34 1.408 7.608 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.605 7.406 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.639 8.577 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.334 6.954 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.082 5.467 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.751 4.940 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.002 5.224 1.071 1.00 0.00 H new ATOM 477 N ASN A 35 0.148 9.564 1.520 1.00 0.00 N ATOM 478 CA ASN A 35 -1.114 9.913 0.878 1.00 0.00 C ATOM 479 C ASN A 35 -1.273 9.175 -0.448 1.00 0.00 C ATOM 480 O ASN A 35 -0.396 9.229 -1.310 1.00 0.00 O ATOM 481 CB ASN A 35 -1.192 11.423 0.646 1.00 0.00 C ATOM 482 CG ASN A 35 -1.585 12.181 1.899 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.648 12.799 1.956 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.726 12.137 2.911 1.00 0.00 N ATOM 0 H ASN A 35 0.975 9.942 1.058 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.925 9.611 1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.226 11.784 0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.916 11.630 -0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.936 12.628 3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.144 11.612 2.819 1.00 0.00 H new ATOM 491 N PHE A 36 -2.399 8.486 -0.603 1.00 0.00 N ATOM 492 CA PHE A 36 -2.673 7.736 -1.824 1.00 0.00 C ATOM 493 C PHE A 36 -4.151 7.822 -2.194 1.00 0.00 C ATOM 494 O PHE A 36 -4.940 8.457 -1.494 1.00 0.00 O ATOM 495 CB PHE A 36 -2.264 6.272 -1.651 1.00 0.00 C ATOM 496 CG PHE A 36 -2.908 5.605 -0.470 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.366 5.737 0.798 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.057 4.846 -0.627 1.00 0.00 C ATOM 499 CE1 PHE A 36 -2.956 5.123 1.887 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.652 4.230 0.458 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.102 4.370 1.716 1.00 0.00 C ATOM 0 H PHE A 36 -3.136 8.431 0.100 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.088 8.177 -2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.524 5.721 -2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.181 6.216 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.472 6.327 0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.493 4.735 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.522 5.232 2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.546 3.640 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.567 3.892 2.566 1.00 0.00 H new ATOM 511 N GLN A 37 -4.517 7.180 -3.299 1.00 0.00 N ATOM 512 CA GLN A 37 -5.899 7.185 -3.763 1.00 0.00 C ATOM 513 C GLN A 37 -6.331 5.790 -4.201 1.00 0.00 C ATOM 514 O GLN A 37 -5.499 4.953 -4.550 1.00 0.00 O ATOM 515 CB GLN A 37 -6.067 8.171 -4.920 1.00 0.00 C ATOM 516 CG GLN A 37 -5.847 9.622 -4.520 1.00 0.00 C ATOM 517 CD GLN A 37 -6.083 10.585 -5.666 1.00 0.00 C ATOM 518 OE1 GLN A 37 -6.076 10.193 -6.834 1.00 0.00 O ATOM 519 NE2 GLN A 37 -6.295 11.855 -5.339 1.00 0.00 N ATOM 0 H GLN A 37 -3.876 6.650 -3.889 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.533 7.498 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.366 7.911 -5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.070 8.065 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.515 9.873 -3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.828 9.743 -4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.292 12.136 -4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.461 12.549 -6.068 1.00 0.00 H new ATOM 528 N ALA A 38 -7.638 5.547 -4.181 1.00 0.00 N ATOM 529 CA ALA A 38 -8.180 4.254 -4.578 1.00 0.00 C ATOM 530 C ALA A 38 -7.655 3.835 -5.948 1.00 0.00 C ATOM 531 O ALA A 38 -8.091 4.353 -6.975 1.00 0.00 O ATOM 532 CB ALA A 38 -9.701 4.299 -4.585 1.00 0.00 C ATOM 0 H ALA A 38 -8.340 6.229 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.852 3.512 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.092 3.326 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.062 4.545 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.039 5.058 -5.290 1.00 0.00 H new ATOM 538 N GLY A 39 -6.715 2.894 -5.954 1.00 0.00 N ATOM 539 CA GLY A 39 -6.146 2.423 -7.203 1.00 0.00 C ATOM 540 C GLY A 39 -4.640 2.588 -7.252 1.00 0.00 C ATOM 541 O GLY A 39 -3.942 1.795 -7.884 1.00 0.00 O ATOM 0 H GLY A 39 -6.338 2.450 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.398 1.371 -7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.596 2.969 -8.032 1.00 0.00 H new ATOM 545 N ASP A 40 -4.138 3.622 -6.586 1.00 0.00 N ATOM 546 CA ASP A 40 -2.704 3.889 -6.557 1.00 0.00 C ATOM 547 C ASP A 40 -1.948 2.726 -5.922 1.00 0.00 C ATOM 548 O ASP A 40 -2.318 2.241 -4.853 1.00 0.00 O ATOM 549 CB ASP A 40 -2.420 5.179 -5.786 1.00 0.00 C ATOM 550 CG ASP A 40 -2.428 6.402 -6.682 1.00 0.00 C ATOM 551 OD1 ASP A 40 -3.530 6.880 -7.023 1.00 0.00 O ATOM 552 OD2 ASP A 40 -1.332 6.881 -7.042 1.00 0.00 O ATOM 0 H ASP A 40 -4.702 4.289 -6.059 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.360 4.005 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.167 5.302 -5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.451 5.099 -5.294 1.00 0.00 H new ATOM 557 N ARG A 41 -0.887 2.283 -6.590 1.00 0.00 N ATOM 558 CA ARG A 41 -0.080 1.175 -6.093 1.00 0.00 C ATOM 559 C ARG A 41 0.935 1.662 -5.063 1.00 0.00 C ATOM 560 O ARG A 41 1.612 2.669 -5.272 1.00 0.00 O ATOM 561 CB ARG A 41 0.643 0.483 -7.250 1.00 0.00 C ATOM 562 CG ARG A 41 -0.279 -0.328 -8.146 1.00 0.00 C ATOM 563 CD ARG A 41 -1.071 0.566 -9.087 1.00 0.00 C ATOM 564 NE ARG A 41 -1.542 -0.159 -10.264 1.00 0.00 N ATOM 565 CZ ARG A 41 -2.117 0.428 -11.307 1.00 0.00 C ATOM 566 NH1 ARG A 41 -2.291 1.742 -11.320 1.00 0.00 N ATOM 567 NH2 ARG A 41 -2.519 -0.300 -12.342 1.00 0.00 N ATOM 0 H ARG A 41 -0.567 2.674 -7.476 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.747 0.460 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.151 1.236 -7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.413 -0.174 -6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.309 -1.039 -8.727 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.966 -0.910 -7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.924 0.987 -8.555 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.448 1.403 -9.402 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.423 -1.172 -10.286 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.983 2.305 -10.527 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.733 2.190 -12.123 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.386 -1.311 -12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.961 0.152 -13.143 1.00 0.00 H new ATOM 581 N ILE A 42 1.036 0.940 -3.952 1.00 0.00 N ATOM 582 CA ILE A 42 1.969 1.298 -2.891 1.00 0.00 C ATOM 583 C ILE A 42 3.019 0.211 -2.693 1.00 0.00 C ATOM 584 O ILE A 42 2.698 -0.919 -2.323 1.00 0.00 O ATOM 585 CB ILE A 42 1.238 1.539 -1.557 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.211 2.663 -1.709 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.237 1.872 -0.458 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.984 2.518 -0.792 1.00 0.00 C ATOM 0 H ILE A 42 0.483 0.104 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 42 2.459 2.221 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 42 0.711 0.626 -1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.697 3.618 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.135 2.691 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.705 2.040 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.934 1.043 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.788 2.773 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.670 3.349 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.495 1.579 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.649 2.521 0.245 1.00 0.00 H new ATOM 600 N THR A 43 4.278 0.560 -2.940 1.00 0.00 N ATOM 601 CA THR A 43 5.377 -0.386 -2.788 1.00 0.00 C ATOM 602 C THR A 43 5.660 -0.668 -1.317 1.00 0.00 C ATOM 603 O THR A 43 6.320 0.119 -0.638 1.00 0.00 O ATOM 604 CB THR A 43 6.664 0.137 -3.455 1.00 0.00 C ATOM 605 OG1 THR A 43 6.433 0.370 -4.849 1.00 0.00 O ATOM 606 CG2 THR A 43 7.804 -0.856 -3.284 1.00 0.00 C ATOM 0 H THR A 43 4.562 1.491 -3.246 1.00 0.00 H new ATOM 0 HA THR A 43 5.070 -1.309 -3.280 1.00 0.00 H new ATOM 0 HB THR A 43 6.943 1.073 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.255 0.704 -5.265 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.702 -0.465 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.997 -1.010 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.531 -1.806 -3.744 1.00 0.00 H new ATOM 614 N VAL A 44 5.158 -1.798 -0.829 1.00 0.00 N ATOM 615 CA VAL A 44 5.358 -2.186 0.562 1.00 0.00 C ATOM 616 C VAL A 44 6.833 -2.441 0.854 1.00 0.00 C ATOM 617 O VAL A 44 7.423 -3.390 0.338 1.00 0.00 O ATOM 618 CB VAL A 44 4.550 -3.449 0.914 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.782 -3.844 2.365 1.00 0.00 C ATOM 620 CG2 VAL A 44 3.070 -3.227 0.644 1.00 0.00 C ATOM 0 H VAL A 44 4.610 -2.461 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 44 5.007 -1.357 1.176 1.00 0.00 H new ATOM 0 HB VAL A 44 4.893 -4.267 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.203 -4.738 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.841 -4.047 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.468 -3.030 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.514 -4.130 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.710 -2.396 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.923 -2.996 -0.411 1.00 0.00 H new ATOM 630 N ILE A 45 7.421 -1.588 1.686 1.00 0.00 N ATOM 631 CA ILE A 45 8.826 -1.722 2.049 1.00 0.00 C ATOM 632 C ILE A 45 8.982 -2.388 3.411 1.00 0.00 C ATOM 633 O ILE A 45 9.883 -3.201 3.617 1.00 0.00 O ATOM 634 CB ILE A 45 9.534 -0.354 2.075 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.613 0.709 2.678 1.00 0.00 C ATOM 636 CG2 ILE A 45 9.966 0.046 0.673 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.287 2.048 2.880 1.00 0.00 C ATOM 0 H ILE A 45 6.946 -0.797 2.121 1.00 0.00 H new ATOM 0 HA ILE A 45 9.290 -2.348 1.287 1.00 0.00 H new ATOM 0 HB ILE A 45 10.424 -0.434 2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.749 0.841 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.238 0.352 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.465 1.015 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.653 -0.702 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.090 0.112 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.575 2.752 3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.135 1.931 3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.638 2.427 1.920 1.00 0.00 H new ATOM 649 N SER A 46 8.096 -2.040 4.339 1.00 0.00 N ATOM 650 CA SER A 46 8.135 -2.603 5.683 1.00 0.00 C ATOM 651 C SER A 46 6.725 -2.864 6.204 1.00 0.00 C ATOM 652 O SER A 46 5.998 -1.936 6.558 1.00 0.00 O ATOM 653 CB SER A 46 8.874 -1.658 6.633 1.00 0.00 C ATOM 654 OG SER A 46 9.241 -2.323 7.830 1.00 0.00 O ATOM 0 H SER A 46 7.342 -1.370 4.184 1.00 0.00 H new ATOM 0 HA SER A 46 8.669 -3.552 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.765 -1.268 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.239 -0.804 6.868 1.00 0.00 H new ATOM 0 HG SER A 46 9.713 -1.699 8.420 1.00 0.00 H new ATOM 660 N LYS A 47 6.344 -4.137 6.248 1.00 0.00 N ATOM 661 CA LYS A 47 5.022 -4.524 6.726 1.00 0.00 C ATOM 662 C LYS A 47 5.111 -5.732 7.653 1.00 0.00 C ATOM 663 O LYS A 47 6.151 -6.387 7.738 1.00 0.00 O ATOM 664 CB LYS A 47 4.102 -4.840 5.545 1.00 0.00 C ATOM 665 CG LYS A 47 4.407 -6.169 4.875 1.00 0.00 C ATOM 666 CD LYS A 47 3.250 -6.636 4.009 1.00 0.00 C ATOM 667 CE LYS A 47 3.184 -8.154 3.937 1.00 0.00 C ATOM 668 NZ LYS A 47 1.974 -8.623 3.207 1.00 0.00 N ATOM 0 H LYS A 47 6.933 -4.918 5.958 1.00 0.00 H new ATOM 0 HA LYS A 47 4.607 -3.687 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.069 -4.846 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.186 -4.043 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.304 -6.072 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.620 -6.920 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.314 -6.249 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.358 -6.228 3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.077 -8.533 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.181 -8.566 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.966 -9.663 3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.121 -8.283 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.989 -8.252 2.236 1.00 0.00 H new ATOM 682 N THR A 48 4.014 -6.024 8.344 1.00 0.00 N ATOM 683 CA THR A 48 3.968 -7.154 9.264 1.00 0.00 C ATOM 684 C THR A 48 2.987 -8.216 8.782 1.00 0.00 C ATOM 685 O THR A 48 2.365 -8.068 7.729 1.00 0.00 O ATOM 686 CB THR A 48 3.568 -6.708 10.683 1.00 0.00 C ATOM 687 OG1 THR A 48 2.212 -6.246 10.687 1.00 0.00 O ATOM 688 CG2 THR A 48 4.487 -5.603 11.182 1.00 0.00 C ATOM 0 H THR A 48 3.145 -5.493 8.284 1.00 0.00 H new ATOM 0 HA THR A 48 4.972 -7.578 9.294 1.00 0.00 H new ATOM 0 HB THR A 48 3.662 -7.565 11.350 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.965 -5.966 11.593 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.185 -5.304 12.186 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.514 -5.967 11.205 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.421 -4.745 10.513 1.00 0.00 H new ATOM 696 N ASP A 49 2.852 -9.286 9.557 1.00 0.00 N ATOM 697 CA ASP A 49 1.944 -10.373 9.210 1.00 0.00 C ATOM 698 C ASP A 49 0.529 -10.075 9.695 1.00 0.00 C ATOM 699 O ASP A 49 -0.180 -10.968 10.159 1.00 0.00 O ATOM 700 CB ASP A 49 2.437 -11.690 9.812 1.00 0.00 C ATOM 701 CG ASP A 49 1.841 -12.901 9.121 1.00 0.00 C ATOM 702 OD1 ASP A 49 2.442 -13.378 8.136 1.00 0.00 O ATOM 703 OD2 ASP A 49 0.774 -13.372 9.567 1.00 0.00 O ATOM 0 H ASP A 49 3.360 -9.424 10.431 1.00 0.00 H new ATOM 0 HA ASP A 49 1.924 -10.464 8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.524 -11.734 9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.184 -11.719 10.872 1.00 0.00 H new ATOM 708 N SER A 50 0.125 -8.814 9.587 1.00 0.00 N ATOM 709 CA SER A 50 -1.204 -8.397 10.019 1.00 0.00 C ATOM 710 C SER A 50 -1.703 -7.221 9.184 1.00 0.00 C ATOM 711 O SER A 50 -1.019 -6.207 9.048 1.00 0.00 O ATOM 712 CB SER A 50 -1.184 -8.013 11.500 1.00 0.00 C ATOM 713 OG SER A 50 -1.080 -9.162 12.323 1.00 0.00 O ATOM 0 H SER A 50 0.699 -8.063 9.204 1.00 0.00 H new ATOM 0 HA SER A 50 -1.885 -9.236 9.877 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.345 -7.345 11.695 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.092 -7.464 11.749 1.00 0.00 H new ATOM 0 HG SER A 50 -0.923 -9.952 11.764 1.00 0.00 H new ATOM 719 N HIS A 51 -2.901 -7.366 8.626 1.00 0.00 N ATOM 720 CA HIS A 51 -3.494 -6.317 7.805 1.00 0.00 C ATOM 721 C HIS A 51 -4.001 -5.169 8.672 1.00 0.00 C ATOM 722 O HIS A 51 -3.611 -4.017 8.484 1.00 0.00 O ATOM 723 CB HIS A 51 -4.640 -6.884 6.966 1.00 0.00 C ATOM 724 CG HIS A 51 -5.589 -7.738 7.748 1.00 0.00 C ATOM 725 ND1 HIS A 51 -5.403 -9.092 7.936 1.00 0.00 N ATOM 726 CD2 HIS A 51 -6.736 -7.424 8.394 1.00 0.00 C ATOM 727 CE1 HIS A 51 -6.396 -9.574 8.662 1.00 0.00 C ATOM 728 NE2 HIS A 51 -7.219 -8.582 8.953 1.00 0.00 N ATOM 0 H HIS A 51 -3.480 -8.200 8.728 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.722 -5.931 7.139 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.193 -6.059 6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.224 -7.472 6.148 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.188 -6.445 8.458 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.515 -10.604 8.966 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.074 -8.663 9.503 1.00 0.00 H new ATOM 737 N PHE A 52 -4.873 -5.492 9.621 1.00 0.00 N ATOM 738 CA PHE A 52 -5.436 -4.487 10.516 1.00 0.00 C ATOM 739 C PHE A 52 -4.381 -3.458 10.910 1.00 0.00 C ATOM 740 O PHE A 52 -4.647 -2.256 10.927 1.00 0.00 O ATOM 741 CB PHE A 52 -6.007 -5.153 11.770 1.00 0.00 C ATOM 742 CG PHE A 52 -6.896 -4.250 12.576 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.036 -3.697 12.015 1.00 0.00 C ATOM 744 CD2 PHE A 52 -6.592 -3.954 13.895 1.00 0.00 C ATOM 745 CE1 PHE A 52 -8.856 -2.866 12.754 1.00 0.00 C ATOM 746 CE2 PHE A 52 -7.409 -3.124 14.639 1.00 0.00 C ATOM 747 CZ PHE A 52 -8.542 -2.578 14.068 1.00 0.00 C ATOM 0 H PHE A 52 -5.205 -6.441 9.790 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.239 -3.974 9.987 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.572 -6.038 11.477 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.184 -5.494 12.398 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.287 -3.918 10.988 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.707 -4.377 14.347 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.742 -2.442 12.305 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.162 -2.902 15.667 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.181 -1.928 14.647 1.00 0.00 H new ATOM 757 N ASP A 53 -3.183 -3.938 11.225 1.00 0.00 N ATOM 758 CA ASP A 53 -2.087 -3.061 11.618 1.00 0.00 C ATOM 759 C ASP A 53 -1.664 -2.166 10.458 1.00 0.00 C ATOM 760 O ASP A 53 -1.997 -2.432 9.303 1.00 0.00 O ATOM 761 CB ASP A 53 -0.893 -3.886 12.103 1.00 0.00 C ATOM 762 CG ASP A 53 -1.186 -4.621 13.396 1.00 0.00 C ATOM 763 OD1 ASP A 53 -1.702 -3.984 14.337 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.897 -5.835 13.468 1.00 0.00 O ATOM 0 H ASP A 53 -2.946 -4.930 11.216 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.437 -2.428 12.433 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.616 -4.606 11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.036 -3.229 12.248 1.00 0.00 H new ATOM 769 N TRP A 54 -0.930 -1.105 10.773 1.00 0.00 N ATOM 770 CA TRP A 54 -0.463 -0.169 9.755 1.00 0.00 C ATOM 771 C TRP A 54 0.885 -0.606 9.192 1.00 0.00 C ATOM 772 O TRP A 54 1.746 -1.090 9.926 1.00 0.00 O ATOM 773 CB TRP A 54 -0.353 1.239 10.340 1.00 0.00 C ATOM 774 CG TRP A 54 -1.681 1.901 10.551 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.780 1.360 11.154 1.00 0.00 C ATOM 776 CD2 TRP A 54 -2.051 3.227 10.155 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.810 2.269 11.159 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.388 3.422 10.553 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.381 4.268 9.507 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.066 4.616 10.320 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.056 5.452 9.277 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.386 5.619 9.683 1.00 0.00 C ATOM 0 H TRP A 54 -0.645 -0.871 11.724 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.190 -0.161 8.943 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.175 1.189 11.292 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.250 1.855 9.673 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.832 0.363 11.567 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.738 2.111 11.551 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.355 4.150 9.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.092 4.746 10.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.549 6.263 8.775 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.885 6.557 9.490 1.00 0.00 H new ATOM 793 N TRP A 55 1.060 -0.433 7.887 1.00 0.00 N ATOM 794 CA TRP A 55 2.304 -0.809 7.227 1.00 0.00 C ATOM 795 C TRP A 55 2.994 0.411 6.627 1.00 0.00 C ATOM 796 O TRP A 55 2.427 1.503 6.599 1.00 0.00 O ATOM 797 CB TRP A 55 2.033 -1.845 6.134 1.00 0.00 C ATOM 798 CG TRP A 55 1.477 -3.133 6.662 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.522 -3.577 7.953 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.794 -4.143 5.911 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.908 -4.803 8.049 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.453 -5.172 6.811 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.437 -4.278 4.567 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.227 -6.318 6.408 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.238 -5.416 4.168 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.564 -6.424 5.086 1.00 0.00 C ATOM 0 H TRP A 55 0.356 -0.035 7.265 1.00 0.00 H new ATOM 0 HA TRP A 55 2.965 -1.245 7.976 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.334 -1.425 5.411 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.961 -2.050 5.599 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.973 -3.044 8.777 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.807 -5.350 8.904 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.684 -3.507 3.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.480 -7.096 7.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.519 -5.531 3.132 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.092 -7.302 4.743 1.00 0.00 H new ATOM 817 N GLU A 56 4.219 0.219 6.149 1.00 0.00 N ATOM 818 CA GLU A 56 4.985 1.306 5.551 1.00 0.00 C ATOM 819 C GLU A 56 5.325 0.995 4.096 1.00 0.00 C ATOM 820 O GLU A 56 6.062 0.054 3.807 1.00 0.00 O ATOM 821 CB GLU A 56 6.269 1.552 6.345 1.00 0.00 C ATOM 822 CG GLU A 56 6.984 2.837 5.962 1.00 0.00 C ATOM 823 CD GLU A 56 8.122 3.175 6.906 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.244 2.672 6.687 1.00 0.00 O ATOM 825 OE2 GLU A 56 7.891 3.942 7.863 1.00 0.00 O ATOM 0 H GLU A 56 4.702 -0.679 6.164 1.00 0.00 H new ATOM 0 HA GLU A 56 4.372 2.207 5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.029 1.583 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.946 0.711 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.373 2.743 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.268 3.658 5.954 1.00 0.00 H new ATOM 832 N GLY A 57 4.781 1.795 3.183 1.00 0.00 N ATOM 833 CA GLY A 57 5.037 1.589 1.770 1.00 0.00 C ATOM 834 C GLY A 57 5.501 2.854 1.075 1.00 0.00 C ATOM 835 O GLY A 57 5.600 3.913 1.696 1.00 0.00 O ATOM 0 H GLY A 57 4.168 2.582 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.794 0.814 1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.129 1.226 1.289 1.00 0.00 H new ATOM 839 N LYS A 58 5.788 2.746 -0.218 1.00 0.00 N ATOM 840 CA LYS A 58 6.245 3.889 -1.000 1.00 0.00 C ATOM 841 C LYS A 58 5.302 4.161 -2.167 1.00 0.00 C ATOM 842 O LYS A 58 4.868 3.238 -2.857 1.00 0.00 O ATOM 843 CB LYS A 58 7.662 3.642 -1.522 1.00 0.00 C ATOM 844 CG LYS A 58 8.749 4.012 -0.528 1.00 0.00 C ATOM 845 CD LYS A 58 9.984 3.143 -0.703 1.00 0.00 C ATOM 846 CE LYS A 58 10.963 3.758 -1.691 1.00 0.00 C ATOM 847 NZ LYS A 58 12.368 3.356 -1.402 1.00 0.00 N ATOM 0 H LYS A 58 5.712 1.877 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 58 6.252 4.764 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.765 2.589 -1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.808 4.215 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.019 5.060 -0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.367 3.903 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.475 3.008 0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.688 2.154 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.698 3.452 -2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.881 4.844 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.005 3.795 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.629 3.670 -0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.452 2.321 -1.461 1.00 0.00 H new ATOM 861 N LEU A 59 4.989 5.434 -2.384 1.00 0.00 N ATOM 862 CA LEU A 59 4.098 5.829 -3.469 1.00 0.00 C ATOM 863 C LEU A 59 4.664 7.023 -4.231 1.00 0.00 C ATOM 864 O LEU A 59 5.017 8.041 -3.635 1.00 0.00 O ATOM 865 CB LEU A 59 2.712 6.170 -2.920 1.00 0.00 C ATOM 866 CG LEU A 59 1.801 6.974 -3.848 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.546 6.210 -5.138 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.488 7.303 -3.153 1.00 0.00 C ATOM 0 H LEU A 59 5.339 6.210 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 59 4.012 4.989 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.206 5.239 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.838 6.730 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 59 2.302 7.910 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.896 6.797 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.493 6.026 -5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.066 5.259 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.148 7.875 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.018 6.379 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.688 7.891 -2.257 1.00 0.00 H new ATOM 880 N ARG A 60 4.744 6.893 -5.551 1.00 0.00 N ATOM 881 CA ARG A 60 5.265 7.962 -6.394 1.00 0.00 C ATOM 882 C ARG A 60 6.529 8.565 -5.788 1.00 0.00 C ATOM 883 O ARG A 60 6.781 9.762 -5.916 1.00 0.00 O ATOM 884 CB ARG A 60 4.208 9.052 -6.584 1.00 0.00 C ATOM 885 CG ARG A 60 3.348 8.857 -7.822 1.00 0.00 C ATOM 886 CD ARG A 60 2.765 7.454 -7.880 1.00 0.00 C ATOM 887 NE ARG A 60 2.518 7.020 -9.252 1.00 0.00 N ATOM 888 CZ ARG A 60 2.050 5.818 -9.570 1.00 0.00 C ATOM 889 NH1 ARG A 60 1.780 4.935 -8.618 1.00 0.00 N ATOM 890 NH2 ARG A 60 1.852 5.497 -10.842 1.00 0.00 N ATOM 0 H ARG A 60 4.455 6.058 -6.060 1.00 0.00 H new ATOM 0 HA ARG A 60 5.516 7.535 -7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.564 9.079 -5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.704 10.021 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.540 9.588 -7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.946 9.041 -8.714 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.450 6.757 -7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.832 7.426 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 60 2.716 7.676 -10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.932 5.178 -7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.421 4.013 -8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.059 6.173 -11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.493 4.574 -11.085 1.00 0.00 H new ATOM 904 N GLY A 61 7.321 7.726 -5.127 1.00 0.00 N ATOM 905 CA GLY A 61 8.548 8.194 -4.511 1.00 0.00 C ATOM 906 C GLY A 61 8.371 8.522 -3.042 1.00 0.00 C ATOM 907 O GLY A 61 9.302 8.375 -2.251 1.00 0.00 O ATOM 0 H GLY A 61 7.134 6.730 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.319 7.431 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.900 9.081 -5.038 1.00 0.00 H new ATOM 911 N GLN A 62 7.174 8.969 -2.677 1.00 0.00 N ATOM 912 CA GLN A 62 6.879 9.321 -1.293 1.00 0.00 C ATOM 913 C GLN A 62 6.907 8.086 -0.400 1.00 0.00 C ATOM 914 O GLN A 62 6.880 6.954 -0.884 1.00 0.00 O ATOM 915 CB GLN A 62 5.514 10.004 -1.198 1.00 0.00 C ATOM 916 CG GLN A 62 5.407 11.270 -2.033 1.00 0.00 C ATOM 917 CD GLN A 62 6.100 12.454 -1.389 1.00 0.00 C ATOM 918 OE1 GLN A 62 7.318 12.607 -1.492 1.00 0.00 O ATOM 919 NE2 GLN A 62 5.327 13.300 -0.718 1.00 0.00 N ATOM 0 H GLN A 62 6.393 9.096 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 62 7.648 10.013 -0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.743 9.302 -1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.311 10.248 -0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.842 11.090 -3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.355 11.510 -2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.322 13.135 -0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.738 14.115 -0.263 1.00 0.00 H new ATOM 928 N THR A 63 6.961 8.310 0.910 1.00 0.00 N ATOM 929 CA THR A 63 6.994 7.215 1.872 1.00 0.00 C ATOM 930 C THR A 63 6.227 7.574 3.139 1.00 0.00 C ATOM 931 O THR A 63 6.220 8.727 3.567 1.00 0.00 O ATOM 932 CB THR A 63 8.440 6.842 2.249 1.00 0.00 C ATOM 933 OG1 THR A 63 9.286 6.933 1.097 1.00 0.00 O ATOM 934 CG2 THR A 63 8.504 5.434 2.821 1.00 0.00 C ATOM 0 H THR A 63 6.983 9.240 1.329 1.00 0.00 H new ATOM 0 HA THR A 63 6.519 6.359 1.393 1.00 0.00 H new ATOM 0 HB THR A 63 8.786 7.542 3.009 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.204 6.696 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.535 5.193 3.080 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.882 5.376 3.714 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.140 4.723 2.079 1.00 0.00 H new ATOM 942 N GLY A 64 5.580 6.577 3.737 1.00 0.00 N ATOM 943 CA GLY A 64 4.819 6.808 4.950 1.00 0.00 C ATOM 944 C GLY A 64 4.075 5.571 5.413 1.00 0.00 C ATOM 945 O GLY A 64 4.200 4.503 4.812 1.00 0.00 O ATOM 0 H GLY A 64 5.570 5.614 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.493 7.140 5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.106 7.614 4.780 1.00 0.00 H new ATOM 949 N ILE A 65 3.302 5.714 6.483 1.00 0.00 N ATOM 950 CA ILE A 65 2.536 4.598 7.026 1.00 0.00 C ATOM 951 C ILE A 65 1.074 4.677 6.601 1.00 0.00 C ATOM 952 O ILE A 65 0.553 5.759 6.327 1.00 0.00 O ATOM 953 CB ILE A 65 2.611 4.559 8.564 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.077 5.865 9.155 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.042 4.311 9.018 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.527 5.714 10.556 1.00 0.00 C ATOM 0 H ILE A 65 3.189 6.591 6.992 1.00 0.00 H new ATOM 0 HA ILE A 65 2.979 3.686 6.626 1.00 0.00 H new ATOM 0 HB ILE A 65 1.989 3.739 8.923 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.878 6.604 9.166 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.293 6.254 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.079 4.286 10.107 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.389 3.357 8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.684 5.112 8.651 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.166 6.679 10.911 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.704 4.999 10.549 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.314 5.354 11.219 1.00 0.00 H new ATOM 968 N PHE A 66 0.415 3.524 6.551 1.00 0.00 N ATOM 969 CA PHE A 66 -0.989 3.462 6.160 1.00 0.00 C ATOM 970 C PHE A 66 -1.607 2.127 6.564 1.00 0.00 C ATOM 971 O PHE A 66 -0.927 1.106 6.673 1.00 0.00 O ATOM 972 CB PHE A 66 -1.130 3.666 4.650 1.00 0.00 C ATOM 973 CG PHE A 66 -0.547 2.546 3.837 1.00 0.00 C ATOM 974 CD1 PHE A 66 -1.319 1.449 3.491 1.00 0.00 C ATOM 975 CD2 PHE A 66 0.773 2.591 3.419 1.00 0.00 C ATOM 976 CE1 PHE A 66 -0.785 0.417 2.743 1.00 0.00 C ATOM 977 CE2 PHE A 66 1.312 1.562 2.670 1.00 0.00 C ATOM 978 CZ PHE A 66 0.532 0.473 2.332 1.00 0.00 C ATOM 0 H PHE A 66 0.830 2.620 6.776 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.520 4.260 6.678 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.186 3.772 4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.642 4.600 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.350 1.400 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.388 3.439 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.397 -0.433 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.342 1.609 2.349 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.951 -0.333 1.748 1.00 0.00 H new ATOM 988 N PRO A 67 -2.929 2.133 6.793 1.00 0.00 N ATOM 989 CA PRO A 67 -3.669 0.931 7.189 1.00 0.00 C ATOM 990 C PRO A 67 -3.771 -0.086 6.058 1.00 0.00 C ATOM 991 O PRO A 67 -4.280 0.219 4.980 1.00 0.00 O ATOM 992 CB PRO A 67 -5.055 1.471 7.549 1.00 0.00 C ATOM 993 CG PRO A 67 -5.187 2.731 6.766 1.00 0.00 C ATOM 994 CD PRO A 67 -3.803 3.313 6.683 1.00 0.00 C ATOM 0 HA PRO A 67 -3.178 0.400 8.005 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.837 0.759 7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.141 1.659 8.619 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.587 2.533 5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.873 3.424 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.646 3.843 5.744 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.618 4.026 7.486 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.283 -1.296 6.310 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.321 -2.359 5.314 1.00 0.00 C ATOM 1004 C ALA A 68 -4.750 -2.627 4.852 1.00 0.00 C ATOM 1005 O ALA A 68 -4.973 -3.106 3.741 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.698 -3.629 5.872 1.00 0.00 C ATOM 0 H ALA A 68 -2.856 -1.565 7.197 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.742 -2.034 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.734 -4.414 5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.661 -3.436 6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.252 -3.949 6.754 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.713 -2.316 5.713 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.121 -2.525 5.393 1.00 0.00 C ATOM 1014 C ASN A 69 -7.551 -1.639 4.228 1.00 0.00 C ATOM 1015 O ASN A 69 -8.634 -1.815 3.668 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.992 -2.235 6.617 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.457 -2.079 6.260 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -10.016 -2.888 5.519 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -10.087 -1.036 6.788 1.00 0.00 N ATOM 0 H ASN A 69 -5.545 -1.919 6.637 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.251 -3.567 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.881 -3.044 7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.640 -1.325 7.102 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.074 -0.880 6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.584 -0.391 7.397 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.697 -0.688 3.867 1.00 0.00 N ATOM 1027 CA TYR A 70 -6.989 0.226 2.770 1.00 0.00 C ATOM 1028 C TYR A 70 -6.356 -0.263 1.470 1.00 0.00 C ATOM 1029 O TYR A 70 -6.429 0.407 0.440 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.481 1.631 3.100 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.446 2.443 3.934 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -7.931 1.957 5.142 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.872 3.697 3.514 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -8.813 2.695 5.906 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.753 4.443 4.273 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.221 3.938 5.468 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.099 4.677 6.227 1.00 0.00 O ATOM 0 H TYR A 70 -5.796 -0.530 4.319 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.070 0.259 2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.533 1.550 3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.280 2.163 2.170 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.613 0.985 5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.508 4.095 2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.182 2.301 6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.074 5.416 3.932 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.284 5.528 5.778 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.736 -1.437 1.527 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.092 -2.019 0.356 1.00 0.00 C ATOM 1049 C VAL A 71 -5.413 -3.504 0.232 1.00 0.00 C ATOM 1050 O VAL A 71 -6.028 -4.094 1.122 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.563 -1.838 0.408 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.205 -0.372 0.600 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.964 -2.692 1.515 1.00 0.00 C ATOM 0 H VAL A 71 -5.666 -2.004 2.372 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.484 -1.492 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.142 -2.168 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.121 -0.264 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.602 0.211 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.635 -0.012 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.883 -2.552 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.389 -2.395 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.190 -3.742 1.328 1.00 0.00 H new ATOM 1063 N THR A 72 -4.993 -4.105 -0.877 1.00 0.00 N ATOM 1064 CA THR A 72 -5.236 -5.521 -1.117 1.00 0.00 C ATOM 1065 C THR A 72 -4.036 -6.179 -1.788 1.00 0.00 C ATOM 1066 O THR A 72 -3.290 -5.531 -2.521 1.00 0.00 O ATOM 1067 CB THR A 72 -6.483 -5.736 -1.997 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.788 -7.132 -2.082 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.262 -5.174 -3.394 1.00 0.00 C ATOM 0 H THR A 72 -4.483 -3.632 -1.623 1.00 0.00 H new ATOM 0 HA THR A 72 -5.403 -5.982 -0.144 1.00 0.00 H new ATOM 0 HB THR A 72 -7.320 -5.209 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.582 -7.260 -2.641 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.155 -5.337 -3.997 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.059 -4.105 -3.328 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.414 -5.677 -3.858 1.00 0.00 H new