USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 586 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 66 SER OG : rot 180:sc= 0.12 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc=-0.00364 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.437 USER MOD Single : A 21 LYS NZ :NH3+ 134:sc= -1.22 (180deg=-3.63!) USER MOD Single : A 25 ASN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.0429 X(o=-0.043,f=-0.32) USER MOD Single : A 27 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 29 SER OG : rot -88:sc= 0.515 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.517 K(o=-0.52,f=-3.5!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.21 K(o=-0.21,f=-2.5) USER MOD Single : A 73 ASN : amide:sc= 0.932 K(o=0.93,f=-0.0029) USER MOD Single : A 76 THR OG1 : rot 82:sc= 0.61 USER MOD Single : A 78 GLN : amide:sc= -2 K(o=-2,f=-2.6) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 93 TYR OH : rot -170:sc= 0.578 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.849 11.887 5.737 1.00 0.00 N ATOM 246 CA ARG A 16 3.584 12.683 4.534 1.00 0.00 C ATOM 247 C ARG A 16 2.360 12.098 3.822 1.00 0.00 C ATOM 248 O ARG A 16 2.332 10.900 3.517 1.00 0.00 O ATOM 249 CB ARG A 16 4.821 12.686 3.592 1.00 0.00 C ATOM 250 CG ARG A 16 4.553 13.295 2.194 1.00 0.00 C ATOM 251 CD ARG A 16 5.789 13.321 1.288 1.00 0.00 C ATOM 252 NE ARG A 16 5.444 13.761 -0.084 1.00 0.00 N ATOM 253 CZ ARG A 16 6.108 14.681 -0.817 1.00 0.00 C ATOM 254 NH1 ARG A 16 7.184 15.296 -0.339 1.00 0.00 N ATOM 255 NH2 ARG A 16 5.670 14.984 -2.029 1.00 0.00 N ATOM 0 HA ARG A 16 3.385 13.717 4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.626 13.243 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.172 11.661 3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.765 12.724 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.181 14.312 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.537 13.992 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.236 12.328 1.252 1.00 0.00 H new ATOM 0 HE ARG A 16 4.628 13.328 -0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.523 15.076 0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.671 15.988 -0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.839 14.524 -2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.164 15.677 -2.591 1.00 0.00 H new ATOM 269 N GLU A 17 1.348 12.945 3.576 1.00 0.00 N ATOM 270 CA GLU A 17 0.165 12.555 2.822 1.00 0.00 C ATOM 271 C GLU A 17 0.549 12.481 1.333 1.00 0.00 C ATOM 272 O GLU A 17 0.829 13.504 0.700 1.00 0.00 O ATOM 273 CB GLU A 17 -0.977 13.577 3.058 1.00 0.00 C ATOM 274 CG GLU A 17 -2.311 13.203 2.400 1.00 0.00 C ATOM 275 CD GLU A 17 -3.388 14.275 2.606 1.00 0.00 C ATOM 276 OE1 GLU A 17 -4.066 14.266 3.658 1.00 0.00 O ATOM 277 OE2 GLU A 17 -3.559 15.145 1.723 1.00 0.00 O ATOM 0 H GLU A 17 1.335 13.913 3.896 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.196 11.581 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.134 13.686 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.661 14.550 2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.155 13.049 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.662 12.256 2.810 1.00 0.00 H new ATOM 284 N ILE A 18 0.598 11.257 0.818 1.00 0.00 N ATOM 285 CA ILE A 18 0.905 10.953 -0.583 1.00 0.00 C ATOM 286 C ILE A 18 -0.390 10.517 -1.290 1.00 0.00 C ATOM 287 O ILE A 18 -1.447 10.413 -0.653 1.00 0.00 O ATOM 288 CB ILE A 18 1.997 9.814 -0.675 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.471 8.463 -0.074 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.307 10.256 0.032 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.451 7.303 -0.138 1.00 0.00 C ATOM 0 H ILE A 18 0.421 10.422 1.377 1.00 0.00 H new ATOM 0 HA ILE A 18 1.307 11.841 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 18 2.212 9.644 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.197 8.629 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.561 8.179 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.047 9.459 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.693 11.155 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.101 10.464 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.994 6.416 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.708 7.101 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.354 7.559 0.416 1.00 0.00 H new ATOM 303 N THR A 19 -0.317 10.291 -2.602 1.00 0.00 N ATOM 304 CA THR A 19 -1.420 9.676 -3.368 1.00 0.00 C ATOM 305 C THR A 19 -1.156 8.173 -3.531 1.00 0.00 C ATOM 306 O THR A 19 -0.055 7.703 -3.223 1.00 0.00 O ATOM 307 CB THR A 19 -1.569 10.345 -4.770 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.365 10.168 -5.538 1.00 0.00 O ATOM 309 CG2 THR A 19 -1.886 11.847 -4.652 1.00 0.00 C ATOM 0 H THR A 19 0.499 10.524 -3.168 1.00 0.00 H new ATOM 0 HA THR A 19 -2.350 9.828 -2.819 1.00 0.00 H new ATOM 0 HB THR A 19 -2.403 9.858 -5.277 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.472 10.591 -6.416 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.982 12.278 -5.649 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.821 11.980 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.080 12.348 -4.117 1.00 0.00 H new ATOM 317 N TRP A 20 -2.184 7.425 -3.985 1.00 0.00 N ATOM 318 CA TRP A 20 -2.024 6.022 -4.411 1.00 0.00 C ATOM 319 C TRP A 20 -0.974 5.928 -5.538 1.00 0.00 C ATOM 320 O TRP A 20 -0.140 5.034 -5.522 1.00 0.00 O ATOM 321 CB TRP A 20 -3.378 5.397 -4.860 1.00 0.00 C ATOM 322 CG TRP A 20 -3.262 4.002 -5.454 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.346 3.669 -6.777 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.033 2.767 -4.754 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.180 2.321 -6.944 1.00 0.00 N ATOM 326 CE2 TRP A 20 -2.993 1.742 -5.717 1.00 0.00 C ATOM 327 CE3 TRP A 20 -2.864 2.432 -3.412 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -2.782 0.412 -5.376 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.654 1.111 -3.073 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.618 0.115 -4.051 1.00 0.00 C ATOM 0 H TRP A 20 -3.139 7.774 -4.065 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.674 5.447 -3.553 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.048 5.358 -4.001 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.841 6.054 -5.596 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.519 4.372 -7.579 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.193 1.828 -7.837 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -2.897 3.195 -2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.749 -0.360 -6.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.515 0.843 -2.036 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.457 -0.911 -3.755 1.00 0.00 H new ATOM 341 N LYS A 21 -1.015 6.875 -6.499 1.00 0.00 N ATOM 342 CA LYS A 21 -0.063 6.904 -7.638 1.00 0.00 C ATOM 343 C LYS A 21 1.393 7.044 -7.161 1.00 0.00 C ATOM 344 O LYS A 21 2.267 6.273 -7.589 1.00 0.00 O ATOM 345 CB LYS A 21 -0.411 8.052 -8.621 1.00 0.00 C ATOM 346 CG LYS A 21 0.451 8.102 -9.905 1.00 0.00 C ATOM 347 CD LYS A 21 0.037 9.228 -10.893 1.00 0.00 C ATOM 348 CE LYS A 21 -1.342 9.015 -11.557 1.00 0.00 C ATOM 349 NZ LYS A 21 -2.494 9.204 -10.624 1.00 0.00 N ATOM 0 H LYS A 21 -1.698 7.633 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.158 5.951 -8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.458 7.958 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.309 9.002 -8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.495 8.242 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.384 7.141 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.027 10.178 -10.359 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.794 9.308 -11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.444 9.709 -12.392 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.384 8.008 -11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.219 9.792 -11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.901 8.278 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.165 9.674 -9.757 1.00 0.00 H new ATOM 363 N ASP A 22 1.637 8.023 -6.269 1.00 0.00 N ATOM 364 CA ASP A 22 2.976 8.297 -5.713 1.00 0.00 C ATOM 365 C ASP A 22 3.455 7.120 -4.856 1.00 0.00 C ATOM 366 O ASP A 22 4.648 6.772 -4.863 1.00 0.00 O ATOM 367 CB ASP A 22 2.944 9.589 -4.856 1.00 0.00 C ATOM 368 CG ASP A 22 4.344 10.009 -4.367 1.00 0.00 C ATOM 369 OD1 ASP A 22 5.028 10.767 -5.092 1.00 0.00 O ATOM 370 OD2 ASP A 22 4.760 9.596 -3.258 1.00 0.00 O ATOM 0 H ASP A 22 0.912 8.646 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 22 3.670 8.433 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.509 10.399 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.294 9.434 -3.995 1.00 0.00 H new ATOM 375 N PHE A 23 2.501 6.539 -4.105 1.00 0.00 N ATOM 376 CA PHE A 23 2.706 5.308 -3.334 1.00 0.00 C ATOM 377 C PHE A 23 3.277 4.193 -4.221 1.00 0.00 C ATOM 378 O PHE A 23 4.319 3.621 -3.910 1.00 0.00 O ATOM 379 CB PHE A 23 1.382 4.842 -2.667 1.00 0.00 C ATOM 380 CG PHE A 23 1.478 3.469 -2.004 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.373 3.247 -0.962 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.709 2.396 -2.450 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.492 2.003 -0.389 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.835 1.149 -1.876 1.00 0.00 C ATOM 385 CZ PHE A 23 1.726 0.954 -0.845 1.00 0.00 C ATOM 0 H PHE A 23 1.558 6.918 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 23 3.429 5.526 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.084 5.577 -1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.595 4.817 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.982 4.062 -0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.005 2.543 -3.256 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.189 1.848 0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.235 0.326 -2.235 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.824 -0.022 -0.394 1.00 0.00 H new ATOM 395 N VAL A 24 2.594 3.925 -5.339 1.00 0.00 N ATOM 396 CA VAL A 24 2.972 2.858 -6.273 1.00 0.00 C ATOM 397 C VAL A 24 4.380 3.100 -6.835 1.00 0.00 C ATOM 398 O VAL A 24 5.226 2.211 -6.800 1.00 0.00 O ATOM 399 CB VAL A 24 1.921 2.740 -7.433 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.366 1.738 -8.524 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.542 2.357 -6.855 1.00 0.00 C ATOM 0 H VAL A 24 1.762 4.443 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 24 2.984 1.915 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 24 1.845 3.714 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.607 1.690 -9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.311 2.066 -8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.493 0.750 -8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.183 2.277 -7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.617 1.400 -6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.217 3.124 -6.152 1.00 0.00 H new ATOM 411 N ASN A 25 4.620 4.336 -7.283 1.00 0.00 N ATOM 412 CA ASN A 25 5.859 4.713 -7.976 1.00 0.00 C ATOM 413 C ASN A 25 7.092 4.660 -7.052 1.00 0.00 C ATOM 414 O ASN A 25 8.061 3.949 -7.348 1.00 0.00 O ATOM 415 CB ASN A 25 5.705 6.112 -8.644 1.00 0.00 C ATOM 416 CG ASN A 25 4.828 6.103 -9.921 1.00 0.00 C ATOM 417 OD1 ASN A 25 5.134 6.790 -10.898 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.709 5.381 -9.914 1.00 0.00 N ATOM 0 H ASN A 25 3.960 5.106 -7.176 1.00 0.00 H new ATOM 0 HA ASN A 25 6.033 3.974 -8.758 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.271 6.803 -7.922 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.694 6.494 -8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.091 5.391 -10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.470 4.818 -9.098 1.00 0.00 H new ATOM 425 N ASN A 26 7.049 5.383 -5.932 1.00 0.00 N ATOM 426 CA ASN A 26 8.226 5.563 -5.058 1.00 0.00 C ATOM 427 C ASN A 26 8.392 4.407 -4.056 1.00 0.00 C ATOM 428 O ASN A 26 9.515 4.117 -3.627 1.00 0.00 O ATOM 429 CB ASN A 26 8.129 6.911 -4.286 1.00 0.00 C ATOM 430 CG ASN A 26 8.047 8.144 -5.190 1.00 0.00 C ATOM 431 OD1 ASN A 26 8.550 8.153 -6.316 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.427 9.194 -4.699 1.00 0.00 N ATOM 0 H ASN A 26 6.210 5.859 -5.601 1.00 0.00 H new ATOM 0 HA ASN A 26 9.102 5.571 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.250 6.886 -3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.998 7.008 -3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.352 10.047 -5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.021 9.156 -3.764 1.00 0.00 H new ATOM 439 N TYR A 27 7.283 3.746 -3.671 1.00 0.00 N ATOM 440 CA TYR A 27 7.270 2.842 -2.500 1.00 0.00 C ATOM 441 C TYR A 27 6.958 1.371 -2.883 1.00 0.00 C ATOM 442 O TYR A 27 7.830 0.491 -2.779 1.00 0.00 O ATOM 443 CB TYR A 27 6.254 3.373 -1.442 1.00 0.00 C ATOM 444 CG TYR A 27 6.540 4.810 -0.971 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.520 5.065 -0.018 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.845 5.905 -1.492 1.00 0.00 C ATOM 447 CE1 TYR A 27 7.791 6.350 0.408 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.114 7.192 -1.067 1.00 0.00 C ATOM 449 CZ TYR A 27 7.089 7.406 -0.121 1.00 0.00 C ATOM 450 OH TYR A 27 7.353 8.678 0.312 1.00 0.00 O ATOM 0 H TYR A 27 6.386 3.819 -4.151 1.00 0.00 H new ATOM 0 HA TYR A 27 8.272 2.838 -2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.250 3.332 -1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.264 2.709 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.081 4.241 0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.084 5.742 -2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.552 6.524 1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.562 8.025 -1.475 1.00 0.00 H new ATOM 0 HH TYR A 27 6.773 9.311 -0.160 1.00 0.00 H new ATOM 460 N LEU A 28 5.707 1.136 -3.305 1.00 0.00 N ATOM 461 CA LEU A 28 5.142 -0.209 -3.537 1.00 0.00 C ATOM 462 C LEU A 28 5.915 -1.017 -4.604 1.00 0.00 C ATOM 463 O LEU A 28 6.205 -2.201 -4.394 1.00 0.00 O ATOM 464 CB LEU A 28 3.654 -0.074 -3.940 1.00 0.00 C ATOM 465 CG LEU A 28 2.873 -1.401 -4.224 1.00 0.00 C ATOM 466 CD1 LEU A 28 2.859 -2.342 -2.999 1.00 0.00 C ATOM 467 CD2 LEU A 28 1.440 -1.104 -4.706 1.00 0.00 C ATOM 0 H LEU A 28 5.044 1.887 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 28 5.235 -0.767 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.135 0.462 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.600 0.549 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 28 3.404 -1.921 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.306 -3.249 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.882 -2.602 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.379 -1.839 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.918 -2.042 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.907 -0.542 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.479 -0.518 -5.624 1.00 0.00 H new ATOM 479 N SER A 29 6.247 -0.372 -5.741 1.00 0.00 N ATOM 480 CA SER A 29 6.948 -1.032 -6.872 1.00 0.00 C ATOM 481 C SER A 29 8.371 -1.498 -6.491 1.00 0.00 C ATOM 482 O SER A 29 8.929 -2.387 -7.138 1.00 0.00 O ATOM 483 CB SER A 29 7.011 -0.070 -8.080 1.00 0.00 C ATOM 484 OG SER A 29 7.721 1.119 -7.755 1.00 0.00 O ATOM 0 H SER A 29 6.041 0.613 -5.905 1.00 0.00 H new ATOM 0 HA SER A 29 6.378 -1.923 -7.136 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.496 -0.568 -8.920 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.000 0.183 -8.400 1.00 0.00 H new ATOM 0 HG SER A 29 7.100 1.779 -7.382 1.00 0.00 H new ATOM 490 N LYS A 30 8.939 -0.897 -5.435 1.00 0.00 N ATOM 491 CA LYS A 30 10.301 -1.199 -4.953 1.00 0.00 C ATOM 492 C LYS A 30 10.253 -2.164 -3.748 1.00 0.00 C ATOM 493 O LYS A 30 11.290 -2.684 -3.319 1.00 0.00 O ATOM 494 CB LYS A 30 11.010 0.113 -4.534 1.00 0.00 C ATOM 495 CG LYS A 30 11.136 1.169 -5.656 1.00 0.00 C ATOM 496 CD LYS A 30 11.885 2.427 -5.185 1.00 0.00 C ATOM 497 CE LYS A 30 12.089 3.458 -6.301 1.00 0.00 C ATOM 498 NZ LYS A 30 12.829 4.654 -5.810 1.00 0.00 N ATOM 0 H LYS A 30 8.464 -0.181 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 30 10.855 -1.676 -5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.465 0.554 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.008 -0.130 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.660 0.733 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.141 1.449 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.330 2.889 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.856 2.136 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.639 3.001 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.121 3.765 -6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.950 5.332 -6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.292 5.103 -5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.763 4.363 -5.456 1.00 0.00 H new ATOM 512 N GLY A 31 9.028 -2.401 -3.238 1.00 0.00 N ATOM 513 CA GLY A 31 8.805 -3.167 -2.014 1.00 0.00 C ATOM 514 C GLY A 31 9.493 -2.608 -0.775 1.00 0.00 C ATOM 515 O GLY A 31 9.956 -3.375 0.079 1.00 0.00 O ATOM 0 H GLY A 31 8.169 -2.062 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.733 -3.218 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.150 -4.189 -2.174 1.00 0.00 H new ATOM 519 N VAL A 32 9.532 -1.264 -0.653 1.00 0.00 N ATOM 520 CA VAL A 32 10.073 -0.608 0.560 1.00 0.00 C ATOM 521 C VAL A 32 9.019 -0.621 1.679 1.00 0.00 C ATOM 522 O VAL A 32 9.294 -0.206 2.793 1.00 0.00 O ATOM 523 CB VAL A 32 10.579 0.869 0.303 1.00 0.00 C ATOM 524 CG1 VAL A 32 11.530 0.938 -0.911 1.00 0.00 C ATOM 525 CG2 VAL A 32 9.418 1.873 0.169 1.00 0.00 C ATOM 0 H VAL A 32 9.200 -0.618 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 32 10.947 -1.184 0.863 1.00 0.00 H new ATOM 0 HB VAL A 32 11.147 1.163 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.858 1.967 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.397 0.303 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.007 0.593 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.819 2.871 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.783 1.585 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.830 1.874 1.087 1.00 0.00 H new ATOM 535 N VAL A 33 7.816 -1.134 1.357 1.00 0.00 N ATOM 536 CA VAL A 33 6.660 -1.134 2.257 1.00 0.00 C ATOM 537 C VAL A 33 6.531 -2.516 2.919 1.00 0.00 C ATOM 538 O VAL A 33 6.519 -3.536 2.231 1.00 0.00 O ATOM 539 CB VAL A 33 5.340 -0.783 1.476 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.149 -0.534 2.431 1.00 0.00 C ATOM 541 CG2 VAL A 33 5.563 0.405 0.525 1.00 0.00 C ATOM 0 H VAL A 33 7.623 -1.564 0.452 1.00 0.00 H new ATOM 0 HA VAL A 33 6.811 -0.373 3.023 1.00 0.00 H new ATOM 0 HB VAL A 33 5.079 -1.651 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.259 -0.295 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.965 -1.430 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.383 0.299 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.636 0.628 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.872 1.278 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.340 0.152 -0.197 1.00 0.00 H new ATOM 551 N ASP A 34 6.437 -2.526 4.252 1.00 0.00 N ATOM 552 CA ASP A 34 6.381 -3.736 5.089 1.00 0.00 C ATOM 553 C ASP A 34 4.936 -4.223 5.223 1.00 0.00 C ATOM 554 O ASP A 34 4.645 -5.408 5.049 1.00 0.00 O ATOM 555 CB ASP A 34 6.962 -3.367 6.478 1.00 0.00 C ATOM 556 CG ASP A 34 6.919 -4.482 7.526 1.00 0.00 C ATOM 557 OD1 ASP A 34 7.765 -5.402 7.475 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.036 -4.445 8.406 1.00 0.00 O ATOM 0 H ASP A 34 6.396 -1.666 4.799 1.00 0.00 H new ATOM 0 HA ASP A 34 6.959 -4.543 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.998 -3.054 6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.415 -2.507 6.865 1.00 0.00 H new ATOM 563 N ARG A 35 4.050 -3.273 5.546 1.00 0.00 N ATOM 564 CA ARG A 35 2.613 -3.520 5.737 1.00 0.00 C ATOM 565 C ARG A 35 1.830 -2.208 5.564 1.00 0.00 C ATOM 566 O ARG A 35 2.341 -1.112 5.846 1.00 0.00 O ATOM 567 CB ARG A 35 2.326 -4.183 7.116 1.00 0.00 C ATOM 568 CG ARG A 35 2.764 -3.367 8.353 1.00 0.00 C ATOM 569 CD ARG A 35 2.655 -4.163 9.666 1.00 0.00 C ATOM 570 NE ARG A 35 3.522 -5.353 9.660 1.00 0.00 N ATOM 571 CZ ARG A 35 3.429 -6.405 10.493 1.00 0.00 C ATOM 572 NH1 ARG A 35 2.480 -6.467 11.434 1.00 0.00 N ATOM 573 NH2 ARG A 35 4.311 -7.397 10.378 1.00 0.00 N ATOM 0 H ARG A 35 4.313 -2.297 5.684 1.00 0.00 H new ATOM 0 HA ARG A 35 2.277 -4.224 4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.256 -4.376 7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.827 -5.151 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.794 -3.038 8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.149 -2.470 8.426 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.926 -3.520 10.504 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.620 -4.469 9.821 1.00 0.00 H new ATOM 0 HE ARG A 35 4.262 -5.382 8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.807 -5.706 11.531 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.429 -7.275 12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.041 -7.351 9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.256 -8.203 11.001 1.00 0.00 H new ATOM 587 N LEU A 36 0.587 -2.334 5.084 1.00 0.00 N ATOM 588 CA LEU A 36 -0.312 -1.206 4.840 1.00 0.00 C ATOM 589 C LEU A 36 -1.407 -1.237 5.903 1.00 0.00 C ATOM 590 O LEU A 36 -2.351 -2.031 5.824 1.00 0.00 O ATOM 591 CB LEU A 36 -0.903 -1.301 3.403 1.00 0.00 C ATOM 592 CG LEU A 36 0.039 -0.824 2.260 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.601 -1.066 0.875 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.445 0.658 2.460 1.00 0.00 C ATOM 0 H LEU A 36 0.174 -3.237 4.852 1.00 0.00 H new ATOM 0 HA LEU A 36 0.224 -0.259 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.183 -2.337 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.819 -0.711 3.366 1.00 0.00 H new ATOM 0 HG LEU A 36 0.952 -1.418 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.079 -0.723 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.795 -2.131 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.539 -0.515 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.103 0.968 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.448 1.283 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.966 0.767 3.411 1.00 0.00 H new ATOM 606 N GLU A 37 -1.259 -0.366 6.900 1.00 0.00 N ATOM 607 CA GLU A 37 -2.117 -0.347 8.080 1.00 0.00 C ATOM 608 C GLU A 37 -3.265 0.638 7.871 1.00 0.00 C ATOM 609 O GLU A 37 -3.070 1.851 7.944 1.00 0.00 O ATOM 610 CB GLU A 37 -1.264 0.011 9.318 1.00 0.00 C ATOM 611 CG GLU A 37 -0.038 -0.910 9.517 1.00 0.00 C ATOM 612 CD GLU A 37 0.711 -0.655 10.833 1.00 0.00 C ATOM 613 OE1 GLU A 37 1.007 0.522 11.136 1.00 0.00 O ATOM 614 OE2 GLU A 37 1.000 -1.623 11.573 1.00 0.00 O ATOM 0 H GLU A 37 -0.534 0.351 6.910 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.559 -1.330 8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.922 1.042 9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.892 -0.038 10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.366 -1.949 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.650 -0.771 8.683 1.00 0.00 H new ATOM 621 N VAL A 38 -4.464 0.100 7.634 1.00 0.00 N ATOM 622 CA VAL A 38 -5.645 0.897 7.330 1.00 0.00 C ATOM 623 C VAL A 38 -6.206 1.413 8.657 1.00 0.00 C ATOM 624 O VAL A 38 -6.803 0.647 9.408 1.00 0.00 O ATOM 625 CB VAL A 38 -6.720 0.045 6.561 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.936 0.898 6.179 1.00 0.00 C ATOM 627 CG2 VAL A 38 -6.100 -0.640 5.322 1.00 0.00 C ATOM 0 H VAL A 38 -4.639 -0.905 7.649 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.379 1.730 6.679 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.069 -0.739 7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.661 0.281 5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.395 1.303 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.618 1.718 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.864 -1.223 4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.706 0.119 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.292 -1.300 5.637 1.00 0.00 H new ATOM 637 N VAL A 39 -5.945 2.690 8.970 1.00 0.00 N ATOM 638 CA VAL A 39 -6.290 3.287 10.262 1.00 0.00 C ATOM 639 C VAL A 39 -7.708 3.898 10.187 1.00 0.00 C ATOM 640 O VAL A 39 -7.945 4.839 9.419 1.00 0.00 O ATOM 641 CB VAL A 39 -5.216 4.366 10.675 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.487 4.954 12.077 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.779 3.785 10.580 1.00 0.00 C ATOM 0 H VAL A 39 -5.487 3.338 8.329 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.289 2.515 11.031 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.300 5.189 9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.721 5.692 12.316 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.467 5.431 12.088 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.464 4.154 12.817 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.058 4.549 10.870 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.688 2.928 11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.581 3.469 9.556 1.00 0.00 H new ATOM 653 N ASN A 40 -8.634 3.309 10.977 1.00 0.00 N ATOM 654 CA ASN A 40 -10.061 3.714 11.082 1.00 0.00 C ATOM 655 C ASN A 40 -10.820 3.653 9.747 1.00 0.00 C ATOM 656 O ASN A 40 -11.920 4.220 9.635 1.00 0.00 O ATOM 657 CB ASN A 40 -10.196 5.128 11.702 1.00 0.00 C ATOM 658 CG ASN A 40 -9.633 5.193 13.117 1.00 0.00 C ATOM 659 OD1 ASN A 40 -8.456 5.466 13.304 1.00 0.00 O ATOM 660 ND2 ASN A 40 -10.458 4.925 14.114 1.00 0.00 N ATOM 0 H ASN A 40 -8.406 2.516 11.577 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.524 2.980 11.741 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.676 5.850 11.072 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.247 5.417 11.717 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.118 4.942 15.076 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.434 4.701 13.922 1.00 0.00 H new ATOM 667 N LYS A 41 -10.246 2.935 8.758 1.00 0.00 N ATOM 668 CA LYS A 41 -10.729 2.900 7.362 1.00 0.00 C ATOM 669 C LYS A 41 -10.723 4.288 6.676 1.00 0.00 C ATOM 670 O LYS A 41 -11.219 4.434 5.548 1.00 0.00 O ATOM 671 CB LYS A 41 -12.123 2.213 7.276 1.00 0.00 C ATOM 672 CG LYS A 41 -12.144 0.778 7.856 1.00 0.00 C ATOM 673 CD LYS A 41 -13.455 0.011 7.571 1.00 0.00 C ATOM 674 CE LYS A 41 -13.395 -1.429 8.108 1.00 0.00 C ATOM 675 NZ LYS A 41 -14.608 -2.218 7.758 1.00 0.00 N ATOM 0 H LYS A 41 -9.421 2.355 8.910 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.017 2.296 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.852 2.822 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.438 2.179 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.307 0.216 7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.991 0.829 8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.292 0.537 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.640 -0.008 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.513 -1.927 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.281 -1.405 9.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.519 -3.180 8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.449 -1.760 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.705 -2.266 6.724 1.00 0.00 H new ATOM 689 N ARG A 42 -10.131 5.287 7.343 1.00 0.00 N ATOM 690 CA ARG A 42 -10.076 6.676 6.862 1.00 0.00 C ATOM 691 C ARG A 42 -8.934 6.823 5.853 1.00 0.00 C ATOM 692 O ARG A 42 -9.065 7.496 4.822 1.00 0.00 O ATOM 693 CB ARG A 42 -9.848 7.638 8.058 1.00 0.00 C ATOM 694 CG ARG A 42 -9.967 9.140 7.705 1.00 0.00 C ATOM 695 CD ARG A 42 -9.561 10.068 8.859 1.00 0.00 C ATOM 696 NE ARG A 42 -9.804 11.488 8.549 1.00 0.00 N ATOM 697 CZ ARG A 42 -9.119 12.220 7.651 1.00 0.00 C ATOM 698 NH1 ARG A 42 -8.122 11.691 6.944 1.00 0.00 N ATOM 699 NH2 ARG A 42 -9.427 13.495 7.481 1.00 0.00 N ATOM 0 H ARG A 42 -9.671 5.153 8.243 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.020 6.928 6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.570 7.403 8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.857 7.453 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.341 9.353 6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.995 9.358 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.118 9.794 9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.504 9.923 9.084 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.554 11.955 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.865 10.713 7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.616 12.264 6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.178 13.916 8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.913 14.058 6.803 1.00 0.00 H new ATOM 713 N PHE A 43 -7.826 6.152 6.164 1.00 0.00 N ATOM 714 CA PHE A 43 -6.601 6.205 5.371 1.00 0.00 C ATOM 715 C PHE A 43 -5.792 4.934 5.609 1.00 0.00 C ATOM 716 O PHE A 43 -6.145 4.103 6.455 1.00 0.00 O ATOM 717 CB PHE A 43 -5.757 7.479 5.695 1.00 0.00 C ATOM 718 CG PHE A 43 -5.213 7.581 7.123 1.00 0.00 C ATOM 719 CD1 PHE A 43 -5.989 8.126 8.141 1.00 0.00 C ATOM 720 CD2 PHE A 43 -3.922 7.144 7.441 1.00 0.00 C ATOM 721 CE1 PHE A 43 -5.497 8.239 9.424 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.431 7.256 8.726 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.220 7.801 9.717 1.00 0.00 C ATOM 0 H PHE A 43 -7.754 5.549 6.984 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.871 6.268 4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.915 7.518 5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.372 8.357 5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.991 8.465 7.923 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.301 6.713 6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.111 8.670 10.201 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.431 6.918 8.955 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.839 7.886 10.724 1.00 0.00 H new ATOM 733 N VAL A 44 -4.699 4.806 4.861 1.00 0.00 N ATOM 734 CA VAL A 44 -3.782 3.668 4.936 1.00 0.00 C ATOM 735 C VAL A 44 -2.385 4.205 5.226 1.00 0.00 C ATOM 736 O VAL A 44 -1.928 5.124 4.545 1.00 0.00 O ATOM 737 CB VAL A 44 -3.757 2.851 3.598 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.824 1.640 3.710 1.00 0.00 C ATOM 739 CG2 VAL A 44 -5.169 2.415 3.182 1.00 0.00 C ATOM 0 H VAL A 44 -4.419 5.504 4.171 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.120 2.996 5.725 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.369 3.508 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.826 1.091 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.812 1.980 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.170 0.987 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.116 1.851 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.601 1.788 3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.794 3.296 3.037 1.00 0.00 H new ATOM 749 N ARG A 45 -1.703 3.614 6.209 1.00 0.00 N ATOM 750 CA ARG A 45 -0.379 4.048 6.643 1.00 0.00 C ATOM 751 C ARG A 45 0.676 3.091 6.091 1.00 0.00 C ATOM 752 O ARG A 45 0.586 1.869 6.267 1.00 0.00 O ATOM 753 CB ARG A 45 -0.316 4.136 8.183 1.00 0.00 C ATOM 754 CG ARG A 45 1.059 4.571 8.747 1.00 0.00 C ATOM 755 CD ARG A 45 0.985 4.986 10.222 1.00 0.00 C ATOM 756 NE ARG A 45 0.179 6.209 10.406 1.00 0.00 N ATOM 757 CZ ARG A 45 -0.740 6.399 11.363 1.00 0.00 C ATOM 758 NH1 ARG A 45 -0.998 5.447 12.261 1.00 0.00 N ATOM 759 NH2 ARG A 45 -1.392 7.553 11.420 1.00 0.00 N ATOM 0 H ARG A 45 -2.060 2.813 6.730 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.177 5.046 6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.074 4.841 8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.574 3.163 8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.768 3.750 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.443 5.404 8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.553 4.174 10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.992 5.153 10.604 1.00 0.00 H new ATOM 0 HE ARG A 45 0.335 6.974 9.749 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.493 4.561 12.225 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.700 5.605 12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.192 8.286 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.093 7.707 12.144 1.00 0.00 H new ATOM 773 N VAL A 46 1.660 3.680 5.430 1.00 0.00 N ATOM 774 CA VAL A 46 2.771 2.971 4.817 1.00 0.00 C ATOM 775 C VAL A 46 3.842 2.721 5.886 1.00 0.00 C ATOM 776 O VAL A 46 4.469 3.665 6.383 1.00 0.00 O ATOM 777 CB VAL A 46 3.356 3.803 3.620 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.556 3.106 2.943 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.242 4.144 2.598 1.00 0.00 C ATOM 0 H VAL A 46 1.709 4.691 5.302 1.00 0.00 H new ATOM 0 HA VAL A 46 2.429 2.016 4.418 1.00 0.00 H new ATOM 0 HB VAL A 46 3.741 4.736 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.921 3.724 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.353 2.964 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.242 2.137 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.666 4.721 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.810 3.222 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.465 4.730 3.089 1.00 0.00 H new ATOM 789 N THR A 47 3.998 1.449 6.267 1.00 0.00 N ATOM 790 CA THR A 47 5.101 0.993 7.117 1.00 0.00 C ATOM 791 C THR A 47 6.244 0.587 6.175 1.00 0.00 C ATOM 792 O THR A 47 5.971 0.099 5.090 1.00 0.00 O ATOM 793 CB THR A 47 4.659 -0.233 7.981 1.00 0.00 C ATOM 794 OG1 THR A 47 3.469 0.083 8.724 1.00 0.00 O ATOM 795 CG2 THR A 47 5.746 -0.698 8.962 1.00 0.00 C ATOM 0 H THR A 47 3.359 0.703 5.992 1.00 0.00 H new ATOM 0 HA THR A 47 5.412 1.781 7.802 1.00 0.00 H new ATOM 0 HB THR A 47 4.470 -1.047 7.281 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.202 -0.693 9.259 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.380 -1.551 9.533 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.637 -0.989 8.406 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.993 0.116 9.644 1.00 0.00 H new ATOM 803 N PHE A 48 7.487 0.876 6.544 1.00 0.00 N ATOM 804 CA PHE A 48 8.674 0.471 5.749 1.00 0.00 C ATOM 805 C PHE A 48 9.326 -0.816 6.267 1.00 0.00 C ATOM 806 O PHE A 48 9.266 -1.113 7.467 1.00 0.00 O ATOM 807 CB PHE A 48 9.695 1.619 5.713 1.00 0.00 C ATOM 808 CG PHE A 48 9.115 2.905 5.150 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.739 2.983 3.812 1.00 0.00 C ATOM 810 CD2 PHE A 48 8.925 4.023 5.952 1.00 0.00 C ATOM 811 CE1 PHE A 48 8.192 4.136 3.295 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.382 5.178 5.430 1.00 0.00 C ATOM 813 CZ PHE A 48 8.013 5.237 4.103 1.00 0.00 C ATOM 0 H PHE A 48 7.715 1.393 7.393 1.00 0.00 H new ATOM 0 HA PHE A 48 8.328 0.257 4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.063 1.803 6.722 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.552 1.318 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.878 2.126 3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.205 3.987 6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.903 4.177 2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.245 6.041 6.064 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.585 6.143 3.699 1.00 0.00 H new ATOM 823 N THR A 49 9.937 -1.579 5.336 1.00 0.00 N ATOM 824 CA THR A 49 10.622 -2.848 5.626 1.00 0.00 C ATOM 825 C THR A 49 11.941 -2.614 6.401 1.00 0.00 C ATOM 826 O THR A 49 12.648 -1.638 6.130 1.00 0.00 O ATOM 827 CB THR A 49 10.948 -3.628 4.302 1.00 0.00 C ATOM 828 OG1 THR A 49 11.687 -2.796 3.404 1.00 0.00 O ATOM 829 CG2 THR A 49 9.689 -4.129 3.587 1.00 0.00 C ATOM 0 H THR A 49 9.966 -1.323 4.349 1.00 0.00 H new ATOM 0 HA THR A 49 9.944 -3.439 6.242 1.00 0.00 H new ATOM 0 HB THR A 49 11.540 -4.496 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.885 -3.295 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.973 -4.661 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.141 -4.803 4.245 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.056 -3.280 3.327 1.00 0.00 H new ATOM 960 N TYR A 59 7.642 8.040 8.045 1.00 0.00 N ATOM 961 CA TYR A 59 6.466 7.331 7.524 1.00 0.00 C ATOM 962 C TYR A 59 5.649 8.231 6.594 1.00 0.00 C ATOM 963 O TYR A 59 5.710 9.464 6.669 1.00 0.00 O ATOM 964 CB TYR A 59 5.580 6.797 8.678 1.00 0.00 C ATOM 965 CG TYR A 59 6.223 5.657 9.491 1.00 0.00 C ATOM 966 CD1 TYR A 59 7.377 5.871 10.252 1.00 0.00 C ATOM 967 CD2 TYR A 59 5.680 4.372 9.496 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.954 4.854 10.987 1.00 0.00 C ATOM 969 CE2 TYR A 59 6.252 3.356 10.235 1.00 0.00 C ATOM 970 CZ TYR A 59 7.386 3.599 10.977 1.00 0.00 C ATOM 971 OH TYR A 59 7.946 2.585 11.725 1.00 0.00 O ATOM 0 HA TYR A 59 6.824 6.478 6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.345 7.621 9.352 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.636 6.445 8.263 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.827 6.853 10.265 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.796 4.168 8.911 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.846 5.042 11.567 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.810 2.371 10.231 1.00 0.00 H new ATOM 0 HH TYR A 59 7.423 1.765 11.607 1.00 0.00 H new ATOM 981 N VAL A 60 4.914 7.584 5.694 1.00 0.00 N ATOM 982 CA VAL A 60 3.999 8.244 4.759 1.00 0.00 C ATOM 983 C VAL A 60 2.647 7.504 4.813 1.00 0.00 C ATOM 984 O VAL A 60 2.543 6.447 5.446 1.00 0.00 O ATOM 985 CB VAL A 60 4.589 8.303 3.292 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.919 9.098 3.238 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.788 6.897 2.703 1.00 0.00 C ATOM 0 H VAL A 60 4.936 6.570 5.590 1.00 0.00 H new ATOM 0 HA VAL A 60 3.859 9.284 5.055 1.00 0.00 H new ATOM 0 HB VAL A 60 3.854 8.829 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.291 9.115 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.747 10.119 3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.655 8.620 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.194 6.979 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.481 6.335 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.830 6.379 2.667 1.00 0.00 H new ATOM 997 N TRP A 61 1.615 8.077 4.182 1.00 0.00 N ATOM 998 CA TRP A 61 0.235 7.547 4.242 1.00 0.00 C ATOM 999 C TRP A 61 -0.635 8.222 3.176 1.00 0.00 C ATOM 1000 O TRP A 61 -0.310 9.315 2.717 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.389 7.763 5.655 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.460 9.209 6.082 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.547 9.950 6.620 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -1.588 10.087 5.990 1.00 0.00 C ATOM 1005 NE1 TRP A 61 0.115 11.221 6.876 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.188 11.331 6.495 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -2.895 9.937 5.527 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.047 12.418 6.558 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -3.747 11.013 5.590 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -3.319 12.243 6.099 1.00 0.00 C ATOM 0 H TRP A 61 1.706 8.920 3.615 1.00 0.00 H new ATOM 0 HA TRP A 61 0.275 6.475 4.048 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.395 7.343 5.665 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.196 7.207 6.388 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.545 9.586 6.816 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.677 11.967 7.286 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.231 8.992 5.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.721 13.368 6.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.763 10.907 5.241 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.011 13.072 6.129 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.762 7.589 2.822 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.683 8.104 1.790 1.00 0.00 C ATOM 1023 C PHE A 62 -4.139 7.795 2.171 1.00 0.00 C ATOM 1024 O PHE A 62 -4.430 6.708 2.667 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.322 7.517 0.388 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.218 5.988 0.325 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.054 5.331 0.736 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.275 5.210 -0.140 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -0.956 3.955 0.685 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.175 3.833 -0.189 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.016 3.205 0.222 1.00 0.00 C ATOM 0 H PHE A 62 -2.063 6.708 3.239 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.575 9.187 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.075 7.843 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.371 7.943 0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.218 5.910 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.186 5.690 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.049 3.466 1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.006 3.246 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.940 2.128 0.181 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.042 8.763 1.919 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.476 8.644 2.252 1.00 0.00 C ATOM 1043 C ASN A 63 -7.186 7.749 1.230 1.00 0.00 C ATOM 1044 O ASN A 63 -6.808 7.727 0.051 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.153 10.040 2.294 1.00 0.00 C ATOM 1046 CG ASN A 63 -6.563 10.950 3.371 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -6.997 10.931 4.521 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -5.582 11.764 3.007 1.00 0.00 N ATOM 0 H ASN A 63 -4.798 9.650 1.479 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.558 8.191 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.047 10.520 1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.221 9.916 2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.166 12.398 3.689 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.243 11.756 2.045 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.208 7.005 1.693 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.996 6.090 0.850 1.00 0.00 C ATOM 1057 C ILE A 64 -10.502 6.335 1.071 1.00 0.00 C ATOM 1058 O ILE A 64 -10.949 6.580 2.208 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.649 4.574 1.139 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.854 4.239 2.656 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.206 4.234 0.675 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.712 2.775 3.008 1.00 0.00 C ATOM 0 H ILE A 64 -8.511 7.023 2.667 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.739 6.296 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.334 3.952 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.133 4.810 3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.846 4.576 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.994 3.186 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.116 4.414 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.494 4.863 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.871 2.641 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.451 2.195 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.711 2.433 2.744 1.00 0.00 H new ATOM 1074 N GLY A 65 -11.271 6.301 -0.030 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.732 6.352 0.030 1.00 0.00 C ATOM 1076 C GLY A 65 -13.301 5.007 0.462 1.00 0.00 C ATOM 1077 O GLY A 65 -14.193 4.938 1.315 1.00 0.00 O ATOM 0 H GLY A 65 -10.897 6.238 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.045 7.127 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.132 6.625 -0.947 1.00 0.00 H new ATOM 1081 N SER A 66 -12.755 3.928 -0.131 1.00 0.00 N ATOM 1082 CA SER A 66 -13.125 2.544 0.184 1.00 0.00 C ATOM 1083 C SER A 66 -11.867 1.698 0.422 1.00 0.00 C ATOM 1084 O SER A 66 -10.930 1.734 -0.384 1.00 0.00 O ATOM 1085 CB SER A 66 -13.968 1.948 -0.963 1.00 0.00 C ATOM 1086 OG SER A 66 -14.284 0.577 -0.739 1.00 0.00 O ATOM 0 H SER A 66 -12.036 3.999 -0.851 1.00 0.00 H new ATOM 0 HA SER A 66 -13.722 2.537 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.890 2.519 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.423 2.045 -1.902 1.00 0.00 H new ATOM 0 HG SER A 66 -14.819 0.238 -1.487 1.00 0.00 H new ATOM 1092 N VAL A 67 -11.857 0.965 1.551 1.00 0.00 N ATOM 1093 CA VAL A 67 -10.820 -0.045 1.869 1.00 0.00 C ATOM 1094 C VAL A 67 -10.864 -1.198 0.867 1.00 0.00 C ATOM 1095 O VAL A 67 -9.815 -1.732 0.477 1.00 0.00 O ATOM 1096 CB VAL A 67 -10.979 -0.637 3.322 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -9.751 -1.492 3.733 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.243 0.479 4.340 1.00 0.00 C ATOM 0 H VAL A 67 -12.570 1.054 2.275 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.863 0.473 1.810 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.844 -1.300 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.900 -1.882 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.636 -2.322 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.854 -0.874 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.349 0.046 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.408 1.180 4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.160 1.005 4.074 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.095 -1.578 0.463 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.311 -2.648 -0.512 1.00 0.00 C ATOM 1110 C ASP A 68 -11.668 -2.240 -1.841 1.00 0.00 C ATOM 1111 O ASP A 68 -10.784 -2.925 -2.318 1.00 0.00 O ATOM 1112 CB ASP A 68 -13.824 -2.962 -0.704 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.078 -4.113 -1.705 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -13.874 -5.298 -1.336 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.429 -3.843 -2.884 1.00 0.00 O ATOM 0 H ASP A 68 -12.955 -1.150 0.805 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.847 -3.561 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.261 -3.223 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.335 -2.064 -1.053 1.00 0.00 H new ATOM 1120 N THR A 69 -12.070 -1.076 -2.386 1.00 0.00 N ATOM 1121 CA THR A 69 -11.538 -0.561 -3.669 1.00 0.00 C ATOM 1122 C THR A 69 -9.993 -0.458 -3.633 1.00 0.00 C ATOM 1123 O THR A 69 -9.319 -0.921 -4.561 1.00 0.00 O ATOM 1124 CB THR A 69 -12.179 0.816 -4.029 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.610 0.678 -4.048 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.713 1.364 -5.393 1.00 0.00 C ATOM 0 H THR A 69 -12.767 -0.468 -1.956 1.00 0.00 H new ATOM 0 HA THR A 69 -11.808 -1.273 -4.449 1.00 0.00 H new ATOM 0 HB THR A 69 -11.857 1.527 -3.268 1.00 0.00 H new ATOM 0 HG1 THR A 69 -14.019 1.540 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.195 2.323 -5.584 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.631 1.497 -5.381 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.983 0.659 -6.180 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.460 0.096 -2.518 1.00 0.00 N ATOM 1135 CA PHE A 70 -8.008 0.180 -2.237 1.00 0.00 C ATOM 1136 C PHE A 70 -7.285 -1.172 -2.488 1.00 0.00 C ATOM 1137 O PHE A 70 -6.338 -1.235 -3.291 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.802 0.692 -0.760 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.517 0.221 -0.057 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.268 0.708 -0.431 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.573 -0.749 0.954 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -4.117 0.245 0.179 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.419 -1.213 1.557 1.00 0.00 C ATOM 1144 CZ PHE A 70 -4.193 -0.714 1.170 1.00 0.00 C ATOM 0 H PHE A 70 -10.034 0.502 -1.779 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.555 0.891 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.809 1.782 -0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.657 0.373 -0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.197 1.456 -1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.531 -1.139 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.155 0.635 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.477 -1.965 2.330 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.291 -1.074 1.643 1.00 0.00 H new ATOM 1154 N GLU A 71 -7.756 -2.242 -1.817 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.089 -3.556 -1.846 1.00 0.00 C ATOM 1156 C GLU A 71 -7.286 -4.265 -3.190 1.00 0.00 C ATOM 1157 O GLU A 71 -6.428 -5.052 -3.585 1.00 0.00 O ATOM 1158 CB GLU A 71 -7.588 -4.447 -0.688 1.00 0.00 C ATOM 1159 CG GLU A 71 -9.061 -4.887 -0.807 1.00 0.00 C ATOM 1160 CD GLU A 71 -9.590 -5.651 0.398 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -9.537 -5.108 1.514 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -10.091 -6.790 0.232 1.00 0.00 O ATOM 0 H GLU A 71 -8.601 -2.220 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.021 -3.381 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.960 -5.336 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.458 -3.908 0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.680 -4.003 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.170 -5.511 -1.694 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.416 -3.989 -3.888 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.664 -4.563 -5.232 1.00 0.00 C ATOM 1171 C ARG A 72 -7.546 -4.118 -6.185 1.00 0.00 C ATOM 1172 O ARG A 72 -6.967 -4.932 -6.919 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.048 -4.160 -5.845 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.282 -4.274 -4.924 1.00 0.00 C ATOM 1175 CD ARG A 72 -11.470 -5.646 -4.248 1.00 0.00 C ATOM 1176 NE ARG A 72 -12.033 -6.660 -5.163 1.00 0.00 N ATOM 1177 CZ ARG A 72 -13.324 -7.056 -5.194 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -14.225 -6.519 -4.357 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -13.698 -8.002 -6.056 1.00 0.00 N ATOM 0 H ARG A 72 -9.160 -3.381 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.678 -5.646 -5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.978 -3.129 -6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.223 -4.780 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.209 -3.512 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.174 -4.049 -5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.509 -5.996 -3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.128 -5.535 -3.386 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.394 -7.097 -5.827 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.938 -5.804 -3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.197 -6.826 -4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.012 -8.420 -6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.671 -8.308 -6.087 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.225 -2.805 -6.125 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.161 -2.206 -6.940 1.00 0.00 C ATOM 1195 C ASN A 73 -4.791 -2.730 -6.510 1.00 0.00 C ATOM 1196 O ASN A 73 -3.949 -2.976 -7.362 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.194 -0.651 -6.885 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.383 -0.064 -7.648 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -7.310 0.167 -8.853 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -8.467 0.212 -6.953 1.00 0.00 N ATOM 0 H ASN A 73 -7.697 -2.141 -5.512 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.339 -2.501 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.238 -0.328 -5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.268 -0.256 -7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.276 0.629 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.498 0.009 -5.954 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.594 -2.913 -5.189 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.345 -3.462 -4.627 1.00 0.00 C ATOM 1209 C LEU A 74 -3.033 -4.854 -5.222 1.00 0.00 C ATOM 1210 O LEU A 74 -1.992 -5.034 -5.840 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.429 -3.523 -3.072 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.149 -4.015 -2.318 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -0.916 -3.130 -2.618 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.405 -4.106 -0.798 1.00 0.00 C ATOM 0 H LEU A 74 -5.295 -2.685 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.526 -2.796 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.678 -2.527 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.257 -4.179 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.924 -5.014 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.053 -3.511 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.706 -3.149 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.119 -2.106 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.500 -4.450 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.680 -3.123 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.216 -4.809 -0.607 1.00 0.00 H new ATOM 1226 N GLU A 75 -3.987 -5.792 -5.077 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.838 -7.204 -5.515 1.00 0.00 C ATOM 1228 C GLU A 75 -3.577 -7.333 -7.032 1.00 0.00 C ATOM 1229 O GLU A 75 -2.672 -8.067 -7.440 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.104 -8.005 -5.152 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.383 -8.113 -3.646 1.00 0.00 C ATOM 1232 CD GLU A 75 -6.803 -8.605 -3.348 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.726 -7.762 -3.275 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -7.009 -9.838 -3.200 1.00 0.00 O ATOM 0 H GLU A 75 -4.892 -5.596 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.969 -7.605 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.963 -7.539 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.013 -9.010 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.663 -8.795 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.234 -7.138 -3.181 1.00 0.00 H new ATOM 1241 N THR A 76 -4.384 -6.624 -7.849 1.00 0.00 N ATOM 1242 CA THR A 76 -4.263 -6.641 -9.327 1.00 0.00 C ATOM 1243 C THR A 76 -2.882 -6.103 -9.753 1.00 0.00 C ATOM 1244 O THR A 76 -2.176 -6.710 -10.553 1.00 0.00 O ATOM 1245 CB THR A 76 -5.392 -5.780 -9.989 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.675 -6.242 -9.534 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.351 -5.840 -11.528 1.00 0.00 C ATOM 0 H THR A 76 -5.136 -6.025 -7.507 1.00 0.00 H new ATOM 0 HA THR A 76 -4.369 -7.672 -9.664 1.00 0.00 H new ATOM 0 HB THR A 76 -5.227 -4.744 -9.693 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.868 -5.857 -8.654 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.154 -5.227 -11.938 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.391 -5.464 -11.881 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.479 -6.872 -11.855 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.539 -4.945 -9.171 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.240 -4.276 -9.359 1.00 0.00 C ATOM 1257 C LEU A 77 -0.062 -5.174 -8.964 1.00 0.00 C ATOM 1258 O LEU A 77 0.963 -5.167 -9.620 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.208 -2.978 -8.546 1.00 0.00 C ATOM 1260 CG LEU A 77 0.024 -2.066 -8.737 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.222 -1.655 -10.215 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.112 -0.845 -7.833 1.00 0.00 C ATOM 0 H LEU A 77 -3.165 -4.437 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.133 -4.053 -10.421 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.099 -2.401 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.278 -3.237 -7.490 1.00 0.00 H new ATOM 0 HG LEU A 77 0.916 -2.625 -8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.100 -1.014 -10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.363 -2.547 -10.825 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.658 -1.113 -10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.755 -0.197 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.017 -0.297 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.171 -1.167 -6.793 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.239 -5.935 -7.881 1.00 0.00 N ATOM 1275 CA GLN A 78 0.749 -6.918 -7.408 1.00 0.00 C ATOM 1276 C GLN A 78 0.939 -8.044 -8.459 1.00 0.00 C ATOM 1277 O GLN A 78 2.071 -8.476 -8.725 1.00 0.00 O ATOM 1278 CB GLN A 78 0.306 -7.469 -6.018 1.00 0.00 C ATOM 1279 CG GLN A 78 0.521 -6.488 -4.833 1.00 0.00 C ATOM 1280 CD GLN A 78 0.073 -7.023 -3.463 1.00 0.00 C ATOM 1281 OE1 GLN A 78 0.638 -6.656 -2.428 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.943 -7.882 -3.431 1.00 0.00 N ATOM 0 H GLN A 78 -1.077 -5.889 -7.301 1.00 0.00 H new ATOM 0 HA GLN A 78 1.720 -6.439 -7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.751 -7.733 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.855 -8.389 -5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.579 -6.232 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.020 -5.565 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.394 -8.171 -4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.270 -8.252 -2.538 1.00 0.00 H new ATOM 1291 N GLN A 79 -0.174 -8.460 -9.090 1.00 0.00 N ATOM 1292 CA GLN A 79 -0.155 -9.466 -10.178 1.00 0.00 C ATOM 1293 C GLN A 79 0.537 -8.896 -11.437 1.00 0.00 C ATOM 1294 O GLN A 79 1.119 -9.653 -12.220 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.586 -9.953 -10.523 1.00 0.00 C ATOM 1296 CG GLN A 79 -2.331 -10.632 -9.352 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.714 -11.176 -9.731 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -3.944 -11.584 -10.868 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -4.649 -11.184 -8.787 1.00 0.00 N ATOM 0 H GLN A 79 -1.107 -8.114 -8.866 1.00 0.00 H new ATOM 0 HA GLN A 79 0.416 -10.324 -9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.173 -9.101 -10.866 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.527 -10.655 -11.355 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.721 -11.451 -8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.443 -9.914 -8.540 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.432 -10.840 -7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.583 -11.534 -8.998 1.00 0.00 H new ATOM 1308 N GLU A 80 0.450 -7.562 -11.618 1.00 0.00 N ATOM 1309 CA GLU A 80 1.161 -6.833 -12.691 1.00 0.00 C ATOM 1310 C GLU A 80 2.670 -6.783 -12.401 1.00 0.00 C ATOM 1311 O GLU A 80 3.489 -7.101 -13.269 1.00 0.00 O ATOM 1312 CB GLU A 80 0.619 -5.381 -12.831 1.00 0.00 C ATOM 1313 CG GLU A 80 -0.862 -5.276 -13.248 1.00 0.00 C ATOM 1314 CD GLU A 80 -1.401 -3.830 -13.229 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.884 -2.984 -13.993 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -2.352 -3.536 -12.467 1.00 0.00 O ATOM 0 H GLU A 80 -0.117 -6.958 -11.023 1.00 0.00 H new ATOM 0 HA GLU A 80 0.988 -7.369 -13.624 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.750 -4.867 -11.879 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.226 -4.852 -13.565 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.980 -5.687 -14.251 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.465 -5.890 -12.579 1.00 0.00 H new ATOM 1323 N LEU A 81 3.017 -6.413 -11.152 1.00 0.00 N ATOM 1324 CA LEU A 81 4.414 -6.224 -10.698 1.00 0.00 C ATOM 1325 C LEU A 81 5.182 -7.560 -10.650 1.00 0.00 C ATOM 1326 O LEU A 81 6.419 -7.559 -10.644 1.00 0.00 O ATOM 1327 CB LEU A 81 4.433 -5.543 -9.286 1.00 0.00 C ATOM 1328 CG LEU A 81 3.878 -4.077 -9.189 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.941 -3.543 -7.736 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.599 -3.124 -10.169 1.00 0.00 C ATOM 0 H LEU A 81 2.329 -6.234 -10.420 1.00 0.00 H new ATOM 0 HA LEU A 81 4.914 -5.578 -11.420 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.859 -6.168 -8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.462 -5.539 -8.927 1.00 0.00 H new ATOM 0 HG LEU A 81 2.829 -4.111 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.549 -2.526 -7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.343 -4.182 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.975 -3.544 -7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.186 -2.120 -10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.664 -3.102 -9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.456 -3.477 -11.191 1.00 0.00 H new ATOM 1342 N GLY A 82 4.431 -8.687 -10.627 1.00 0.00 N ATOM 1343 CA GLY A 82 5.021 -10.027 -10.548 1.00 0.00 C ATOM 1344 C GLY A 82 5.799 -10.241 -9.259 1.00 0.00 C ATOM 1345 O GLY A 82 6.789 -10.986 -9.229 1.00 0.00 O ATOM 0 H GLY A 82 3.412 -8.685 -10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.231 -10.774 -10.621 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.684 -10.180 -11.399 1.00 0.00 H new ATOM 1349 N ILE A 83 5.333 -9.568 -8.194 1.00 0.00 N ATOM 1350 CA ILE A 83 5.983 -9.580 -6.881 1.00 0.00 C ATOM 1351 C ILE A 83 5.980 -10.966 -6.217 1.00 0.00 C ATOM 1352 O ILE A 83 5.197 -11.858 -6.564 1.00 0.00 O ATOM 1353 CB ILE A 83 5.336 -8.526 -5.880 1.00 0.00 C ATOM 1354 CG1 ILE A 83 3.785 -8.437 -5.998 1.00 0.00 C ATOM 1355 CG2 ILE A 83 5.960 -7.133 -6.044 1.00 0.00 C ATOM 1356 CD1 ILE A 83 3.010 -9.738 -5.815 1.00 0.00 C ATOM 0 H ILE A 83 4.488 -8.997 -8.224 1.00 0.00 H new ATOM 0 HA ILE A 83 7.017 -9.299 -7.081 1.00 0.00 H new ATOM 0 HB ILE A 83 5.561 -8.898 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.428 -7.721 -5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.541 -8.030 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.493 -6.440 -5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.030 -7.187 -5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.801 -6.781 -7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.943 -9.544 -5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.324 -10.458 -6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.209 -10.144 -4.823 1.00 0.00 H new ATOM 1368 N GLU A 84 6.853 -11.097 -5.232 1.00 0.00 N ATOM 1369 CA GLU A 84 6.786 -12.146 -4.217 1.00 0.00 C ATOM 1370 C GLU A 84 6.646 -11.442 -2.856 1.00 0.00 C ATOM 1371 O GLU A 84 6.806 -10.220 -2.788 1.00 0.00 O ATOM 1372 CB GLU A 84 8.045 -13.057 -4.294 1.00 0.00 C ATOM 1373 CG GLU A 84 8.318 -13.613 -5.709 1.00 0.00 C ATOM 1374 CD GLU A 84 9.527 -14.560 -5.782 1.00 0.00 C ATOM 1375 OE1 GLU A 84 10.680 -14.080 -5.678 1.00 0.00 O ATOM 1376 OE2 GLU A 84 9.331 -15.790 -5.927 1.00 0.00 O ATOM 0 H GLU A 84 7.646 -10.467 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 84 5.932 -12.805 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.915 -12.490 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.923 -13.890 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.432 -14.143 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.480 -12.779 -6.392 1.00 0.00 H new ATOM 1383 N GLY A 85 6.343 -12.204 -1.795 1.00 0.00 N ATOM 1384 CA GLY A 85 6.108 -11.666 -0.435 1.00 0.00 C ATOM 1385 C GLY A 85 7.096 -10.607 0.086 1.00 0.00 C ATOM 1386 O GLY A 85 6.723 -9.805 0.951 1.00 0.00 O ATOM 0 H GLY A 85 6.252 -13.218 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.107 -11.234 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.111 -12.503 0.264 1.00 0.00 H new ATOM 1390 N GLU A 86 8.345 -10.608 -0.427 1.00 0.00 N ATOM 1391 CA GLU A 86 9.377 -9.619 -0.034 1.00 0.00 C ATOM 1392 C GLU A 86 8.971 -8.182 -0.442 1.00 0.00 C ATOM 1393 O GLU A 86 9.044 -7.251 0.371 1.00 0.00 O ATOM 1394 CB GLU A 86 10.748 -9.992 -0.668 1.00 0.00 C ATOM 1395 CG GLU A 86 11.287 -11.378 -0.259 1.00 0.00 C ATOM 1396 CD GLU A 86 12.594 -11.758 -0.976 1.00 0.00 C ATOM 1397 OE1 GLU A 86 13.679 -11.296 -0.549 1.00 0.00 O ATOM 1398 OE2 GLU A 86 12.544 -12.499 -1.984 1.00 0.00 O ATOM 0 H GLU A 86 8.666 -11.286 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 86 9.467 -9.644 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.653 -9.959 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.481 -9.235 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.454 -11.392 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.530 -12.132 -0.474 1.00 0.00 H new ATOM 1405 N ASN A 87 8.508 -8.024 -1.692 1.00 0.00 N ATOM 1406 CA ASN A 87 8.106 -6.708 -2.257 1.00 0.00 C ATOM 1407 C ASN A 87 6.571 -6.543 -2.252 1.00 0.00 C ATOM 1408 O ASN A 87 6.047 -5.438 -2.475 1.00 0.00 O ATOM 1409 CB ASN A 87 8.684 -6.523 -3.696 1.00 0.00 C ATOM 1410 CG ASN A 87 10.217 -6.580 -3.761 1.00 0.00 C ATOM 1411 OD1 ASN A 87 10.907 -6.225 -2.808 1.00 0.00 O ATOM 1412 ND2 ASN A 87 10.764 -6.997 -4.896 1.00 0.00 N ATOM 0 H ASN A 87 8.398 -8.799 -2.346 1.00 0.00 H new ATOM 0 HA ASN A 87 8.524 -5.928 -1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.273 -7.297 -4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.348 -5.564 -4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.779 -7.028 -4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.169 -7.286 -5.673 1.00 0.00 H new ATOM 1419 N ARG A 88 5.861 -7.655 -1.994 1.00 0.00 N ATOM 1420 CA ARG A 88 4.398 -7.685 -1.838 1.00 0.00 C ATOM 1421 C ARG A 88 4.035 -7.312 -0.398 1.00 0.00 C ATOM 1422 O ARG A 88 4.718 -7.725 0.550 1.00 0.00 O ATOM 1423 CB ARG A 88 3.855 -9.091 -2.228 1.00 0.00 C ATOM 1424 CG ARG A 88 2.427 -9.426 -1.747 1.00 0.00 C ATOM 1425 CD ARG A 88 1.733 -10.521 -2.584 1.00 0.00 C ATOM 1426 NE ARG A 88 2.605 -11.660 -2.941 1.00 0.00 N ATOM 1427 CZ ARG A 88 2.155 -12.867 -3.373 1.00 0.00 C ATOM 1428 NH1 ARG A 88 0.835 -13.103 -3.497 1.00 0.00 N ATOM 1429 NH2 ARG A 88 3.029 -13.818 -3.688 1.00 0.00 N ATOM 0 H ARG A 88 6.295 -8.572 -1.887 1.00 0.00 H new ATOM 0 HA ARG A 88 3.933 -6.957 -2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.880 -9.179 -3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.536 -9.844 -1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.470 -9.748 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.821 -8.520 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.874 -10.897 -2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.348 -10.072 -3.500 1.00 0.00 H new ATOM 0 HE ARG A 88 3.613 -11.531 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.162 -12.372 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.508 -14.013 -3.822 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.030 -13.639 -3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.699 -14.727 -4.013 1.00 0.00 H new ATOM 1443 N VAL A 89 2.955 -6.537 -0.234 1.00 0.00 N ATOM 1444 CA VAL A 89 2.636 -5.877 1.038 1.00 0.00 C ATOM 1445 C VAL A 89 1.295 -6.384 1.618 1.00 0.00 C ATOM 1446 O VAL A 89 0.259 -6.278 0.949 1.00 0.00 O ATOM 1447 CB VAL A 89 2.577 -4.326 0.831 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.328 -3.600 2.158 1.00 0.00 C ATOM 1449 CG2 VAL A 89 3.861 -3.810 0.141 1.00 0.00 C ATOM 0 H VAL A 89 2.281 -6.351 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 89 3.423 -6.121 1.752 1.00 0.00 H new ATOM 0 HB VAL A 89 1.736 -4.108 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.292 -2.525 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.380 -3.931 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.135 -3.828 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.794 -2.730 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.727 -4.047 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.968 -4.288 -0.832 1.00 0.00 H new ATOM 1459 N PRO A 90 1.299 -6.975 2.860 1.00 0.00 N ATOM 1460 CA PRO A 90 0.056 -7.358 3.577 1.00 0.00 C ATOM 1461 C PRO A 90 -0.701 -6.135 4.150 1.00 0.00 C ATOM 1462 O PRO A 90 -0.101 -5.096 4.422 1.00 0.00 O ATOM 1463 CB PRO A 90 0.577 -8.295 4.695 1.00 0.00 C ATOM 1464 CG PRO A 90 1.973 -7.827 4.971 1.00 0.00 C ATOM 1465 CD PRO A 90 2.517 -7.358 3.640 1.00 0.00 C ATOM 0 HA PRO A 90 -0.677 -7.832 2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.045 -8.229 5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.566 -9.337 4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.978 -7.019 5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.582 -8.632 5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.194 -6.512 3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.079 -8.146 3.139 1.00 0.00 H new ATOM 1473 N VAL A 91 -2.024 -6.281 4.325 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.908 -5.200 4.820 1.00 0.00 C ATOM 1475 C VAL A 91 -3.332 -5.497 6.269 1.00 0.00 C ATOM 1476 O VAL A 91 -3.858 -6.581 6.546 1.00 0.00 O ATOM 1477 CB VAL A 91 -4.180 -5.044 3.905 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -5.130 -3.942 4.416 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -3.781 -4.786 2.434 1.00 0.00 C ATOM 0 H VAL A 91 -2.517 -7.152 4.128 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.354 -4.262 4.790 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.723 -5.988 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.993 -3.870 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.465 -4.189 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.604 -2.987 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.680 -4.683 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.193 -3.870 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.188 -5.623 2.066 1.00 0.00 H new ATOM 1489 N VAL A 92 -3.092 -4.541 7.188 1.00 0.00 N ATOM 1490 CA VAL A 92 -3.439 -4.680 8.614 1.00 0.00 C ATOM 1491 C VAL A 92 -4.548 -3.672 8.955 1.00 0.00 C ATOM 1492 O VAL A 92 -4.310 -2.468 8.950 1.00 0.00 O ATOM 1493 CB VAL A 92 -2.203 -4.431 9.563 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.553 -4.773 11.030 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.955 -5.201 9.084 1.00 0.00 C ATOM 0 H VAL A 92 -2.651 -3.650 6.961 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.774 -5.704 8.777 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.960 -3.369 9.519 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.684 -4.593 11.663 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.380 -4.146 11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.842 -5.822 11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.124 -5.005 9.762 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.169 -6.270 9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.688 -4.873 8.079 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.744 -4.172 9.260 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.908 -3.338 9.579 1.00 0.00 C ATOM 1507 C TYR A 93 -6.827 -2.924 11.052 1.00 0.00 C ATOM 1508 O TYR A 93 -6.976 -3.765 11.945 1.00 0.00 O ATOM 1509 CB TYR A 93 -8.216 -4.118 9.297 1.00 0.00 C ATOM 1510 CG TYR A 93 -8.323 -4.647 7.854 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -7.646 -5.810 7.463 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -9.074 -3.983 6.889 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -7.723 -6.282 6.172 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -9.147 -4.459 5.594 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.473 -5.604 5.244 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.540 -6.068 3.960 1.00 0.00 O ATOM 0 H TYR A 93 -5.937 -5.173 9.294 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.910 -2.445 8.954 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.284 -4.958 9.988 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.067 -3.468 9.500 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.052 -6.346 8.188 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.607 -3.083 7.156 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.196 -7.182 5.891 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.734 -3.931 4.857 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.981 -5.401 3.394 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.555 -1.638 11.296 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.346 -1.088 12.647 1.00 0.00 C ATOM 1528 C ILE A 94 -7.416 -0.023 12.912 1.00 0.00 C ATOM 1529 O ILE A 94 -7.661 0.828 12.061 1.00 0.00 O ATOM 1530 CB ILE A 94 -4.902 -0.453 12.777 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.811 -1.564 12.615 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -4.726 0.331 14.111 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.375 -1.101 12.788 1.00 0.00 C ATOM 0 H ILE A 94 -6.472 -0.940 10.557 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.426 -1.890 13.381 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.779 0.274 11.974 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.010 -2.353 13.341 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.914 -2.008 11.625 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.721 0.749 14.157 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.457 1.138 14.158 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.877 -0.345 14.953 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.701 -1.948 12.656 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.147 -0.337 12.045 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.244 -0.686 13.787 1.00 0.00 H new