USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 538 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 20 SER OG : rot 180:sc= 0.416 USER MOD Set 1.2: A 46 CYS SG : rot 83:sc= -0.386 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.601 K(o=0.6,f=-0.12) USER MOD Single : A 22 GLN : amide:sc= 1.03 K(o=1,f=-0.0069) USER MOD Single : A 26 GLN : amide:sc= 0.49 K(o=0.49,f=-2.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.609 X(o=-0.61,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 1.69 (180deg=1.39) USER MOD Single : A 33 ASN : amide:sc= -0.0296 X(o=-0.03,f=-0.019) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 59:sc= 1.23 USER MOD Single : A 47 ASN : amide:sc= 0.993 K(o=0.99,f=-4.1!) USER MOD Single : A 51 CYS SG : rot -70:sc= 0.144 USER MOD Single : A 53 GLN : amide:sc= 0.459 K(o=0.46,f=-3.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.141 USER MOD Single : A 60 GLN : amide:sc= -0.0965 K(o=-0.096,f=-3!) USER MOD Single : A 62 GLN : amide:sc= -0.822 K(o=-0.82,f=-4.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.01 K(o=-1,f=-2.1) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00108 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.466 K(o=-0.47,f=-7.7!) USER MOD Single : A 80 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -4.659 -1.564 6.921 1.00 0.00 N ATOM 271 CA LYS A 15 -3.400 -2.194 7.264 1.00 0.00 C ATOM 272 C LYS A 15 -3.539 -3.606 6.684 1.00 0.00 C ATOM 273 O LYS A 15 -4.653 -3.979 6.311 1.00 0.00 O ATOM 274 CB LYS A 15 -3.236 -2.226 8.791 1.00 0.00 C ATOM 275 CG LYS A 15 -4.499 -2.729 9.514 1.00 0.00 C ATOM 276 CD LYS A 15 -5.268 -1.609 10.228 1.00 0.00 C ATOM 277 CE LYS A 15 -4.682 -1.404 11.632 1.00 0.00 C ATOM 278 NZ LYS A 15 -5.306 -0.281 12.353 1.00 0.00 N ATOM 0 HA LYS A 15 -2.525 -1.673 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.395 -2.869 9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.993 -1.225 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.157 -3.210 8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.216 -3.489 10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.201 -0.684 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.325 -1.865 10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.811 -2.318 12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.610 -1.227 11.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.872 -0.189 13.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.161 0.599 11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.325 -0.459 12.458 1.00 0.00 H new ATOM 292 N TRP A 16 -2.477 -4.405 6.636 1.00 0.00 N ATOM 293 CA TRP A 16 -2.668 -5.839 6.451 1.00 0.00 C ATOM 294 C TRP A 16 -3.221 -6.441 7.750 1.00 0.00 C ATOM 295 O TRP A 16 -3.634 -5.718 8.659 1.00 0.00 O ATOM 296 CB TRP A 16 -1.369 -6.482 5.944 1.00 0.00 C ATOM 297 CG TRP A 16 -1.092 -6.182 4.505 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.307 -5.190 4.032 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.634 -6.851 3.330 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.351 -5.172 2.654 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.187 -6.153 2.173 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.443 -7.987 3.117 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.579 -6.513 0.883 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.727 -8.437 1.816 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.344 -7.673 0.702 1.00 0.00 C ATOM 0 H TRP A 16 -1.508 -4.098 6.719 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.409 -6.046 5.679 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.535 -6.129 6.550 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.427 -7.562 6.080 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.270 -4.511 4.643 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.168 -4.518 2.068 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.850 -8.518 3.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.297 -5.906 0.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.242 -9.375 1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.638 -7.978 -0.291 1.00 0.00 H new ATOM 316 N GLY A 17 -3.279 -7.764 7.832 1.00 0.00 N ATOM 317 CA GLY A 17 -3.777 -8.469 8.995 1.00 0.00 C ATOM 318 C GLY A 17 -3.120 -9.842 9.065 1.00 0.00 C ATOM 319 O GLY A 17 -2.285 -10.167 8.211 1.00 0.00 O ATOM 0 H GLY A 17 -2.976 -8.382 7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.560 -7.902 9.900 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.860 -8.573 8.936 1.00 0.00 H new ATOM 323 N PRO A 18 -3.484 -10.651 10.063 1.00 0.00 N ATOM 324 CA PRO A 18 -2.974 -11.995 10.228 1.00 0.00 C ATOM 325 C PRO A 18 -3.586 -12.918 9.178 1.00 0.00 C ATOM 326 O PRO A 18 -4.609 -12.582 8.585 1.00 0.00 O ATOM 327 CB PRO A 18 -3.359 -12.400 11.648 1.00 0.00 C ATOM 328 CG PRO A 18 -4.634 -11.600 11.902 1.00 0.00 C ATOM 329 CD PRO A 18 -4.414 -10.309 11.120 1.00 0.00 C ATOM 0 HA PRO A 18 -1.895 -12.058 10.090 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.534 -13.473 11.728 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.577 -12.150 12.365 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.518 -12.134 11.553 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.779 -11.405 12.965 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.352 -9.933 10.711 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.009 -9.526 11.761 1.00 0.00 H new ATOM 337 N ALA A 19 -2.925 -14.051 8.932 1.00 0.00 N ATOM 338 CA ALA A 19 -3.184 -15.114 7.974 1.00 0.00 C ATOM 339 C ALA A 19 -2.795 -14.628 6.587 1.00 0.00 C ATOM 340 O ALA A 19 -1.970 -15.219 5.891 1.00 0.00 O ATOM 341 CB ALA A 19 -4.615 -15.592 8.101 1.00 0.00 C ATOM 0 H ALA A 19 -2.088 -14.266 9.474 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.572 -15.993 8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.798 -16.388 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.784 -15.970 9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.294 -14.762 7.906 1.00 0.00 H new ATOM 347 N SER A 20 -3.311 -13.451 6.269 1.00 0.00 N ATOM 348 CA SER A 20 -2.800 -12.556 5.260 1.00 0.00 C ATOM 349 C SER A 20 -1.267 -12.595 5.248 1.00 0.00 C ATOM 350 O SER A 20 -0.684 -12.693 4.180 1.00 0.00 O ATOM 351 CB SER A 20 -3.308 -11.148 5.586 1.00 0.00 C ATOM 352 OG SER A 20 -4.288 -10.742 4.657 1.00 0.00 O ATOM 0 H SER A 20 -4.140 -13.082 6.735 1.00 0.00 H new ATOM 0 HA SER A 20 -3.143 -12.855 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.726 -11.131 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.476 -10.444 5.574 1.00 0.00 H new ATOM 0 HG SER A 20 -4.600 -9.841 4.884 1.00 0.00 H new ATOM 358 N GLN A 21 -0.598 -12.527 6.407 1.00 0.00 N ATOM 359 CA GLN A 21 0.864 -12.566 6.445 1.00 0.00 C ATOM 360 C GLN A 21 1.423 -13.798 5.721 1.00 0.00 C ATOM 361 O GLN A 21 2.262 -13.650 4.829 1.00 0.00 O ATOM 362 CB GLN A 21 1.395 -12.506 7.883 1.00 0.00 C ATOM 363 CG GLN A 21 0.963 -11.269 8.675 1.00 0.00 C ATOM 364 CD GLN A 21 1.268 -9.967 7.954 1.00 0.00 C ATOM 365 OE1 GLN A 21 2.386 -9.461 8.011 1.00 0.00 O ATOM 366 NE2 GLN A 21 0.281 -9.386 7.291 1.00 0.00 N ATOM 0 H GLN A 21 -1.044 -12.446 7.321 1.00 0.00 H new ATOM 0 HA GLN A 21 1.212 -11.679 5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.062 -13.396 8.416 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.484 -12.540 7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.107 -11.326 8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.466 -11.269 9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.639 -9.825 7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.440 -8.499 6.813 1.00 0.00 H new ATOM 375 N GLN A 22 0.962 -15.000 6.084 1.00 0.00 N ATOM 376 CA GLN A 22 1.371 -16.228 5.409 1.00 0.00 C ATOM 377 C GLN A 22 1.066 -16.082 3.929 1.00 0.00 C ATOM 378 O GLN A 22 1.915 -16.361 3.092 1.00 0.00 O ATOM 379 CB GLN A 22 0.678 -17.461 6.013 1.00 0.00 C ATOM 380 CG GLN A 22 0.764 -18.741 5.160 1.00 0.00 C ATOM 381 CD GLN A 22 2.181 -19.286 4.962 1.00 0.00 C ATOM 382 OE1 GLN A 22 2.617 -20.170 5.694 1.00 0.00 O ATOM 383 NE2 GLN A 22 2.909 -18.798 3.964 1.00 0.00 N ATOM 0 H GLN A 22 0.301 -15.144 6.847 1.00 0.00 H new ATOM 0 HA GLN A 22 2.441 -16.384 5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.117 -17.664 6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.373 -17.223 6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.154 -19.514 5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.327 -18.539 4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.529 -18.064 3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.848 -19.158 3.795 1.00 0.00 H new ATOM 392 N ILE A 23 -0.146 -15.673 3.584 1.00 0.00 N ATOM 393 CA ILE A 23 -0.551 -15.621 2.191 1.00 0.00 C ATOM 394 C ILE A 23 0.370 -14.694 1.393 1.00 0.00 C ATOM 395 O ILE A 23 0.865 -15.080 0.341 1.00 0.00 O ATOM 396 CB ILE A 23 -2.050 -15.314 2.114 1.00 0.00 C ATOM 397 CG1 ILE A 23 -2.759 -16.597 2.584 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.472 -14.930 0.693 1.00 0.00 C ATOM 399 CD1 ILE A 23 -4.236 -16.408 2.882 1.00 0.00 C ATOM 0 H ILE A 23 -0.861 -15.374 4.247 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.428 -16.588 1.703 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.314 -14.460 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.648 -17.364 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.262 -16.968 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.541 -14.719 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.922 -14.044 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.254 -15.754 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.666 -17.355 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.356 -15.665 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.748 -16.067 1.982 1.00 0.00 H new ATOM 411 N LEU A 24 0.683 -13.510 1.905 1.00 0.00 N ATOM 412 CA LEU A 24 1.678 -12.627 1.318 1.00 0.00 C ATOM 413 C LEU A 24 2.979 -13.401 1.075 1.00 0.00 C ATOM 414 O LEU A 24 3.525 -13.394 -0.034 1.00 0.00 O ATOM 415 CB LEU A 24 1.924 -11.453 2.276 1.00 0.00 C ATOM 416 CG LEU A 24 0.807 -10.404 2.333 1.00 0.00 C ATOM 417 CD1 LEU A 24 1.298 -9.243 3.198 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.443 -9.901 0.942 1.00 0.00 C ATOM 0 H LEU A 24 0.248 -13.134 2.747 1.00 0.00 H new ATOM 0 HA LEU A 24 1.321 -12.245 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.077 -11.851 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.850 -10.957 1.985 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.090 -10.853 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.522 -8.480 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.526 -9.607 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.197 -8.814 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.352 -9.159 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.319 -9.447 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.101 -10.736 0.331 1.00 0.00 H new ATOM 430 N PHE A 25 3.476 -14.084 2.107 1.00 0.00 N ATOM 431 CA PHE A 25 4.672 -14.898 1.974 1.00 0.00 C ATOM 432 C PHE A 25 4.502 -16.007 0.929 1.00 0.00 C ATOM 433 O PHE A 25 5.471 -16.300 0.236 1.00 0.00 O ATOM 434 CB PHE A 25 5.133 -15.465 3.325 1.00 0.00 C ATOM 435 CG PHE A 25 5.570 -14.432 4.355 1.00 0.00 C ATOM 436 CD1 PHE A 25 6.607 -13.527 4.059 1.00 0.00 C ATOM 437 CD2 PHE A 25 5.038 -14.465 5.657 1.00 0.00 C ATOM 438 CE1 PHE A 25 7.089 -12.651 5.049 1.00 0.00 C ATOM 439 CE2 PHE A 25 5.518 -13.592 6.648 1.00 0.00 C ATOM 440 CZ PHE A 25 6.552 -12.690 6.347 1.00 0.00 C ATOM 0 H PHE A 25 3.065 -14.086 3.041 1.00 0.00 H new ATOM 0 HA PHE A 25 5.460 -14.237 1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.319 -16.053 3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.963 -16.149 3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.035 -13.505 3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.254 -15.168 5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.873 -11.947 4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.092 -13.614 7.640 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.933 -12.028 7.111 1.00 0.00 H new ATOM 450 N GLN A 26 3.309 -16.600 0.778 1.00 0.00 N ATOM 451 CA GLN A 26 3.103 -17.747 -0.107 1.00 0.00 C ATOM 452 C GLN A 26 3.559 -17.355 -1.515 1.00 0.00 C ATOM 453 O GLN A 26 4.125 -18.163 -2.249 1.00 0.00 O ATOM 454 CB GLN A 26 1.642 -18.272 -0.092 1.00 0.00 C ATOM 455 CG GLN A 26 0.752 -17.745 -1.238 1.00 0.00 C ATOM 456 CD GLN A 26 -0.714 -18.178 -1.235 1.00 0.00 C ATOM 457 OE1 GLN A 26 -1.348 -18.086 -2.283 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.274 -18.652 -0.128 1.00 0.00 N ATOM 0 H GLN A 26 2.466 -16.297 1.265 1.00 0.00 H new ATOM 0 HA GLN A 26 3.701 -18.583 0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.662 -19.361 -0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.183 -18.001 0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.783 -16.656 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.196 -18.059 -2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.728 -18.719 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.250 -18.949 -0.137 1.00 0.00 H new ATOM 467 N ALA A 27 3.284 -16.108 -1.902 1.00 0.00 N ATOM 468 CA ALA A 27 3.722 -15.580 -3.175 1.00 0.00 C ATOM 469 C ALA A 27 5.185 -15.161 -3.089 1.00 0.00 C ATOM 470 O ALA A 27 5.978 -15.618 -3.907 1.00 0.00 O ATOM 471 CB ALA A 27 2.836 -14.417 -3.594 1.00 0.00 C ATOM 0 H ALA A 27 2.753 -15.446 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 27 3.636 -16.356 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.176 -14.028 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.805 -14.759 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.891 -13.629 -2.843 1.00 0.00 H new ATOM 477 N TYR A 28 5.550 -14.310 -2.119 1.00 0.00 N ATOM 478 CA TYR A 28 6.900 -13.748 -2.049 1.00 0.00 C ATOM 479 C TYR A 28 7.975 -14.832 -2.094 1.00 0.00 C ATOM 480 O TYR A 28 9.053 -14.618 -2.646 1.00 0.00 O ATOM 481 CB TYR A 28 7.083 -12.872 -0.804 1.00 0.00 C ATOM 482 CG TYR A 28 8.011 -11.691 -1.030 1.00 0.00 C ATOM 483 CD1 TYR A 28 9.409 -11.851 -0.983 1.00 0.00 C ATOM 484 CD2 TYR A 28 7.473 -10.441 -1.382 1.00 0.00 C ATOM 485 CE1 TYR A 28 10.254 -10.783 -1.339 1.00 0.00 C ATOM 486 CE2 TYR A 28 8.317 -9.366 -1.698 1.00 0.00 C ATOM 487 CZ TYR A 28 9.704 -9.553 -1.735 1.00 0.00 C ATOM 488 OH TYR A 28 10.490 -8.475 -1.984 1.00 0.00 O ATOM 0 H TYR A 28 4.927 -13.998 -1.374 1.00 0.00 H new ATOM 0 HA TYR A 28 7.019 -13.120 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.109 -12.503 -0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.477 -13.484 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.834 -12.794 -0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.402 -10.307 -1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.326 -10.910 -1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.897 -8.394 -1.913 1.00 0.00 H new ATOM 0 HH TYR A 28 9.930 -7.715 -2.247 1.00 0.00 H new ATOM 498 N GLU A 29 7.682 -15.986 -1.501 1.00 0.00 N ATOM 499 CA GLU A 29 8.429 -17.216 -1.662 1.00 0.00 C ATOM 500 C GLU A 29 8.724 -17.431 -3.154 1.00 0.00 C ATOM 501 O GLU A 29 9.856 -17.247 -3.606 1.00 0.00 O ATOM 502 CB GLU A 29 7.574 -18.329 -1.037 1.00 0.00 C ATOM 503 CG GLU A 29 8.195 -19.727 -1.057 1.00 0.00 C ATOM 504 CD GLU A 29 7.252 -20.750 -0.446 1.00 0.00 C ATOM 505 OE1 GLU A 29 6.213 -20.347 0.125 1.00 0.00 O ATOM 506 OE2 GLU A 29 7.454 -21.945 -0.723 1.00 0.00 O ATOM 0 H GLU A 29 6.885 -16.087 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 29 9.398 -17.200 -1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.359 -18.061 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.619 -18.367 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.429 -20.010 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.135 -19.719 -0.506 1.00 0.00 H new ATOM 513 N ARG A 30 7.699 -17.757 -3.939 1.00 0.00 N ATOM 514 CA ARG A 30 7.857 -18.071 -5.343 1.00 0.00 C ATOM 515 C ARG A 30 8.102 -16.789 -6.137 1.00 0.00 C ATOM 516 O ARG A 30 9.252 -16.500 -6.473 1.00 0.00 O ATOM 517 CB ARG A 30 6.650 -18.885 -5.839 1.00 0.00 C ATOM 518 CG ARG A 30 6.877 -20.373 -5.526 1.00 0.00 C ATOM 519 CD ARG A 30 5.565 -21.172 -5.510 1.00 0.00 C ATOM 520 NE ARG A 30 4.799 -20.903 -4.280 1.00 0.00 N ATOM 521 CZ ARG A 30 5.144 -21.333 -3.055 1.00 0.00 C ATOM 522 NH1 ARG A 30 6.063 -22.291 -2.932 1.00 0.00 N ATOM 523 NH2 ARG A 30 4.593 -20.783 -1.977 1.00 0.00 N ATOM 0 H ARG A 30 6.735 -17.809 -3.610 1.00 0.00 H new ATOM 0 HA ARG A 30 8.734 -18.701 -5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.738 -18.535 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.517 -18.743 -6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.551 -20.800 -6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.369 -20.467 -4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.965 -20.910 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.783 -22.238 -5.582 1.00 0.00 H new ATOM 0 HE ARG A 30 3.946 -20.351 -4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.497 -22.691 -3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.332 -22.624 -2.006 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.908 -20.034 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.855 -21.110 -1.047 1.00 0.00 H new ATOM 537 N GLN A 31 7.062 -16.004 -6.425 1.00 0.00 N ATOM 538 CA GLN A 31 7.157 -14.849 -7.318 1.00 0.00 C ATOM 539 C GLN A 31 6.781 -13.548 -6.609 1.00 0.00 C ATOM 540 O GLN A 31 5.828 -13.492 -5.838 1.00 0.00 O ATOM 541 CB GLN A 31 6.429 -15.085 -8.652 1.00 0.00 C ATOM 542 CG GLN A 31 4.899 -14.955 -8.644 1.00 0.00 C ATOM 543 CD GLN A 31 4.310 -15.290 -10.018 1.00 0.00 C ATOM 544 OE1 GLN A 31 5.031 -15.371 -11.007 1.00 0.00 O ATOM 545 NE2 GLN A 31 3.000 -15.497 -10.118 1.00 0.00 N ATOM 0 H GLN A 31 6.128 -16.152 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 31 8.204 -14.726 -7.594 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.825 -14.380 -9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.682 -16.085 -9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.478 -15.622 -7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.619 -13.940 -8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.408 -15.428 -9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.587 -15.725 -11.022 1.00 0.00 H new ATOM 554 N LYS A 32 7.599 -12.523 -6.848 1.00 0.00 N ATOM 555 CA LYS A 32 7.439 -11.166 -6.355 1.00 0.00 C ATOM 556 C LYS A 32 7.686 -10.258 -7.562 1.00 0.00 C ATOM 557 O LYS A 32 8.530 -9.358 -7.542 1.00 0.00 O ATOM 558 CB LYS A 32 8.417 -10.927 -5.184 1.00 0.00 C ATOM 559 CG LYS A 32 9.908 -11.178 -5.500 1.00 0.00 C ATOM 560 CD LYS A 32 10.539 -12.408 -4.818 1.00 0.00 C ATOM 561 CE LYS A 32 10.020 -13.746 -5.369 1.00 0.00 C ATOM 562 NZ LYS A 32 10.738 -14.918 -4.825 1.00 0.00 N ATOM 0 H LYS A 32 8.435 -12.629 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 32 6.448 -10.962 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.304 -9.898 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.126 -11.571 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.018 -11.288 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.476 -10.294 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.621 -12.368 -4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.339 -12.363 -3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.959 -13.839 -5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.111 -13.744 -6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.515 -15.758 -5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.763 -14.742 -4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.442 -15.080 -3.841 1.00 0.00 H new ATOM 576 N ASN A 33 7.055 -10.613 -8.678 1.00 0.00 N ATOM 577 CA ASN A 33 7.414 -10.223 -10.024 1.00 0.00 C ATOM 578 C ASN A 33 6.108 -9.924 -10.739 1.00 0.00 C ATOM 579 O ASN A 33 5.569 -10.812 -11.402 1.00 0.00 O ATOM 580 CB ASN A 33 8.128 -11.400 -10.700 1.00 0.00 C ATOM 581 CG ASN A 33 9.449 -11.728 -10.022 1.00 0.00 C ATOM 582 OD1 ASN A 33 10.301 -10.861 -9.839 1.00 0.00 O ATOM 583 ND2 ASN A 33 9.639 -12.972 -9.593 1.00 0.00 N ATOM 0 H ASN A 33 6.232 -11.216 -8.658 1.00 0.00 H new ATOM 0 HA ASN A 33 8.076 -9.357 -10.043 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.481 -12.277 -10.679 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.308 -11.162 -11.748 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.500 -13.217 -9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.923 -13.681 -9.752 1.00 0.00 H new ATOM 590 N PRO A 34 5.565 -8.707 -10.603 1.00 0.00 N ATOM 591 CA PRO A 34 4.161 -8.504 -10.867 1.00 0.00 C ATOM 592 C PRO A 34 3.794 -8.541 -12.344 1.00 0.00 C ATOM 593 O PRO A 34 3.655 -7.506 -12.987 1.00 0.00 O ATOM 594 CB PRO A 34 3.759 -7.226 -10.127 1.00 0.00 C ATOM 595 CG PRO A 34 5.072 -6.464 -9.982 1.00 0.00 C ATOM 596 CD PRO A 34 6.137 -7.562 -9.911 1.00 0.00 C ATOM 0 HA PRO A 34 3.575 -9.341 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.023 -6.652 -10.690 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.316 -7.448 -9.156 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.242 -5.798 -10.828 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.077 -5.846 -9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.064 -7.240 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.377 -7.809 -8.877 1.00 0.00 H new ATOM 604 N SER A 35 3.557 -9.753 -12.855 1.00 0.00 N ATOM 605 CA SER A 35 3.038 -9.960 -14.191 1.00 0.00 C ATOM 606 C SER A 35 1.515 -9.933 -14.120 1.00 0.00 C ATOM 607 O SER A 35 0.912 -8.868 -14.222 1.00 0.00 O ATOM 608 CB SER A 35 3.624 -11.248 -14.785 1.00 0.00 C ATOM 609 OG SER A 35 5.032 -11.119 -14.851 1.00 0.00 O ATOM 0 H SER A 35 3.724 -10.618 -12.341 1.00 0.00 H new ATOM 0 HA SER A 35 3.341 -9.165 -14.873 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.352 -12.106 -14.170 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.214 -11.426 -15.779 1.00 0.00 H new ATOM 0 HG SER A 35 5.418 -11.937 -15.228 1.00 0.00 H new ATOM 615 N LYS A 36 0.878 -11.075 -13.890 1.00 0.00 N ATOM 616 CA LYS A 36 -0.573 -11.192 -13.874 1.00 0.00 C ATOM 617 C LYS A 36 -0.973 -11.917 -12.605 1.00 0.00 C ATOM 618 O LYS A 36 -0.920 -11.311 -11.531 1.00 0.00 O ATOM 619 CB LYS A 36 -1.028 -11.919 -15.154 1.00 0.00 C ATOM 620 CG LYS A 36 -0.879 -11.069 -16.426 1.00 0.00 C ATOM 621 CD LYS A 36 -1.930 -9.955 -16.557 1.00 0.00 C ATOM 622 CE LYS A 36 -3.321 -10.515 -16.906 1.00 0.00 C ATOM 623 NZ LYS A 36 -4.290 -9.456 -17.254 1.00 0.00 N ATOM 0 H LYS A 36 1.361 -11.955 -13.707 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.063 -10.218 -13.869 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.448 -12.835 -15.268 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.071 -12.214 -15.044 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.115 -10.621 -16.437 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.945 -11.721 -17.297 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.987 -9.398 -15.622 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.618 -9.251 -17.328 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.230 -11.208 -17.743 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.701 -11.086 -16.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.209 -9.887 -17.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.400 -8.808 -16.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.944 -8.926 -18.079 1.00 0.00 H new ATOM 637 N GLU A 37 -1.268 -13.211 -12.744 1.00 0.00 N ATOM 638 CA GLU A 37 -2.053 -14.004 -11.855 1.00 0.00 C ATOM 639 C GLU A 37 -1.659 -13.735 -10.413 1.00 0.00 C ATOM 640 O GLU A 37 -2.520 -13.411 -9.621 1.00 0.00 O ATOM 641 CB GLU A 37 -1.835 -15.459 -12.288 1.00 0.00 C ATOM 642 CG GLU A 37 -3.078 -16.151 -12.862 1.00 0.00 C ATOM 643 CD GLU A 37 -4.379 -15.791 -12.167 1.00 0.00 C ATOM 644 OE1 GLU A 37 -4.383 -15.669 -10.924 1.00 0.00 O ATOM 645 OE2 GLU A 37 -5.354 -15.532 -12.904 1.00 0.00 O ATOM 0 H GLU A 37 -0.932 -13.750 -13.542 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.115 -13.763 -11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.043 -15.486 -13.036 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.482 -16.030 -11.429 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.164 -15.897 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.937 -17.230 -12.804 1.00 0.00 H new ATOM 652 N GLU A 38 -0.361 -13.785 -10.107 1.00 0.00 N ATOM 653 CA GLU A 38 0.246 -13.480 -8.820 1.00 0.00 C ATOM 654 C GLU A 38 -0.683 -12.735 -7.860 1.00 0.00 C ATOM 655 O GLU A 38 -1.044 -13.244 -6.803 1.00 0.00 O ATOM 656 CB GLU A 38 1.504 -12.627 -9.113 1.00 0.00 C ATOM 657 CG GLU A 38 2.282 -12.148 -7.879 1.00 0.00 C ATOM 658 CD GLU A 38 3.187 -10.990 -8.246 1.00 0.00 C ATOM 659 OE1 GLU A 38 2.628 -9.904 -8.503 1.00 0.00 O ATOM 660 OE2 GLU A 38 4.420 -11.169 -8.297 1.00 0.00 O ATOM 0 H GLU A 38 0.335 -14.058 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 38 0.485 -14.416 -8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.178 -13.209 -9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.203 -11.754 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.586 -11.841 -7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.875 -12.968 -7.474 1.00 0.00 H new ATOM 667 N ARG A 39 -1.036 -11.509 -8.228 1.00 0.00 N ATOM 668 CA ARG A 39 -1.775 -10.624 -7.347 1.00 0.00 C ATOM 669 C ARG A 39 -3.231 -11.038 -7.285 1.00 0.00 C ATOM 670 O ARG A 39 -3.823 -11.146 -6.223 1.00 0.00 O ATOM 671 CB ARG A 39 -1.642 -9.176 -7.801 1.00 0.00 C ATOM 672 CG ARG A 39 -0.157 -8.812 -7.761 1.00 0.00 C ATOM 673 CD ARG A 39 0.091 -7.464 -8.417 1.00 0.00 C ATOM 674 NE ARG A 39 -0.456 -7.458 -9.776 1.00 0.00 N ATOM 675 CZ ARG A 39 0.053 -8.126 -10.819 1.00 0.00 C ATOM 676 NH1 ARG A 39 1.124 -8.910 -10.656 1.00 0.00 N ATOM 677 NH2 ARG A 39 -0.514 -8.013 -12.020 1.00 0.00 N ATOM 0 H ARG A 39 -0.818 -11.106 -9.139 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.353 -10.702 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.039 -9.053 -8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.215 -8.516 -7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.187 -8.786 -6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.423 -9.581 -8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.372 -6.673 -7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.161 -7.256 -8.446 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.293 -6.899 -9.941 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.555 -9.000 -9.736 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.510 -9.418 -11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.334 -7.419 -12.143 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.128 -8.521 -12.816 1.00 0.00 H new ATOM 691 N GLU A 40 -3.795 -11.242 -8.460 1.00 0.00 N ATOM 692 CA GLU A 40 -5.144 -11.708 -8.687 1.00 0.00 C ATOM 693 C GLU A 40 -5.463 -12.970 -7.848 1.00 0.00 C ATOM 694 O GLU A 40 -6.382 -12.967 -7.024 1.00 0.00 O ATOM 695 CB GLU A 40 -5.429 -11.647 -10.207 1.00 0.00 C ATOM 696 CG GLU A 40 -4.292 -10.948 -11.012 1.00 0.00 C ATOM 697 CD GLU A 40 -4.633 -10.464 -12.400 1.00 0.00 C ATOM 698 OE1 GLU A 40 -5.246 -9.381 -12.498 1.00 0.00 O ATOM 699 OE2 GLU A 40 -4.151 -11.075 -13.373 1.00 0.00 O ATOM 0 H GLU A 40 -3.291 -11.076 -9.331 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.921 -11.060 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.566 -12.660 -10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.365 -11.115 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.942 -10.094 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.456 -11.643 -11.092 1.00 0.00 H new ATOM 706 N THR A 41 -4.601 -13.971 -7.968 1.00 0.00 N ATOM 707 CA THR A 41 -4.370 -15.112 -7.095 1.00 0.00 C ATOM 708 C THR A 41 -4.326 -14.699 -5.620 1.00 0.00 C ATOM 709 O THR A 41 -5.119 -15.155 -4.798 1.00 0.00 O ATOM 710 CB THR A 41 -3.066 -15.803 -7.549 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.324 -16.675 -8.633 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.321 -16.564 -6.450 1.00 0.00 C ATOM 0 H THR A 41 -3.975 -14.005 -8.773 1.00 0.00 H new ATOM 0 HA THR A 41 -5.199 -15.815 -7.175 1.00 0.00 H new ATOM 0 HB THR A 41 -2.406 -14.989 -7.850 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.704 -16.166 -9.379 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.420 -17.014 -6.866 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.047 -15.874 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.965 -17.346 -6.048 1.00 0.00 H new ATOM 720 N LEU A 42 -3.349 -13.872 -5.266 1.00 0.00 N ATOM 721 CA LEU A 42 -3.029 -13.568 -3.876 1.00 0.00 C ATOM 722 C LEU A 42 -4.227 -12.975 -3.156 1.00 0.00 C ATOM 723 O LEU A 42 -4.473 -13.252 -1.982 1.00 0.00 O ATOM 724 CB LEU A 42 -1.899 -12.542 -3.836 1.00 0.00 C ATOM 725 CG LEU A 42 -0.530 -13.156 -3.553 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.555 -12.170 -3.994 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.399 -13.449 -2.054 1.00 0.00 C ATOM 0 H LEU A 42 -2.753 -13.391 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.737 -14.496 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.862 -12.016 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.121 -11.799 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.418 -14.090 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.538 -12.598 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.454 -11.971 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.447 -11.238 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.579 -13.887 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.503 -12.521 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.179 -14.147 -1.750 1.00 0.00 H new ATOM 739 N VAL A 43 -4.927 -12.086 -3.847 1.00 0.00 N ATOM 740 CA VAL A 43 -6.109 -11.443 -3.334 1.00 0.00 C ATOM 741 C VAL A 43 -7.156 -12.516 -3.074 1.00 0.00 C ATOM 742 O VAL A 43 -7.816 -12.478 -2.044 1.00 0.00 O ATOM 743 CB VAL A 43 -6.613 -10.413 -4.346 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.914 -9.799 -3.840 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.613 -9.274 -4.546 1.00 0.00 C ATOM 0 H VAL A 43 -4.679 -11.793 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.893 -10.918 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.756 -10.933 -5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.274 -9.065 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.662 -10.582 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.737 -9.311 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.010 -8.565 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.446 -8.766 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.669 -9.678 -4.912 1.00 0.00 H new ATOM 755 N GLU A 44 -7.322 -13.450 -4.011 1.00 0.00 N ATOM 756 CA GLU A 44 -8.230 -14.575 -3.863 1.00 0.00 C ATOM 757 C GLU A 44 -7.954 -15.311 -2.549 1.00 0.00 C ATOM 758 O GLU A 44 -8.812 -15.362 -1.668 1.00 0.00 O ATOM 759 CB GLU A 44 -8.063 -15.504 -5.086 1.00 0.00 C ATOM 760 CG GLU A 44 -9.325 -15.859 -5.877 1.00 0.00 C ATOM 761 CD GLU A 44 -10.570 -15.960 -5.031 1.00 0.00 C ATOM 762 OE1 GLU A 44 -10.842 -17.064 -4.523 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.283 -14.936 -4.931 1.00 0.00 O ATOM 0 H GLU A 44 -6.823 -13.442 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.262 -14.227 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.356 -15.036 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.607 -16.433 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.482 -15.105 -6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.167 -16.809 -6.387 1.00 0.00 H new ATOM 770 N GLU A 45 -6.743 -15.851 -2.422 1.00 0.00 N ATOM 771 CA GLU A 45 -6.353 -16.638 -1.263 1.00 0.00 C ATOM 772 C GLU A 45 -6.576 -15.812 0.007 1.00 0.00 C ATOM 773 O GLU A 45 -7.206 -16.253 0.969 1.00 0.00 O ATOM 774 CB GLU A 45 -4.895 -17.100 -1.423 1.00 0.00 C ATOM 775 CG GLU A 45 -4.769 -18.619 -1.568 1.00 0.00 C ATOM 776 CD GLU A 45 -4.980 -19.308 -0.240 1.00 0.00 C ATOM 777 OE1 GLU A 45 -4.007 -19.384 0.543 1.00 0.00 O ATOM 778 OE2 GLU A 45 -6.127 -19.720 0.024 1.00 0.00 O ATOM 0 H GLU A 45 -6.008 -15.753 -3.122 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.967 -17.535 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.460 -16.618 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.317 -16.772 -0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.501 -18.981 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.783 -18.870 -1.960 1.00 0.00 H new ATOM 785 N CYS A 46 -6.079 -14.576 -0.017 1.00 0.00 N ATOM 786 CA CYS A 46 -6.227 -13.632 1.085 1.00 0.00 C ATOM 787 C CYS A 46 -7.683 -13.527 1.505 1.00 0.00 C ATOM 788 O CYS A 46 -8.018 -13.641 2.679 1.00 0.00 O ATOM 789 CB CYS A 46 -5.748 -12.243 0.672 1.00 0.00 C ATOM 790 SG CYS A 46 -6.171 -11.082 1.987 1.00 0.00 S ATOM 0 H CYS A 46 -5.558 -14.201 -0.810 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.625 -14.000 1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.671 -12.248 0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.217 -11.943 -0.265 1.00 0.00 H new ATOM 0 HG CYS A 46 -5.261 -11.126 2.914 1.00 0.00 H new ATOM 796 N ASN A 47 -8.548 -13.288 0.530 1.00 0.00 N ATOM 797 CA ASN A 47 -9.963 -13.060 0.735 1.00 0.00 C ATOM 798 C ASN A 47 -10.631 -14.292 1.305 1.00 0.00 C ATOM 799 O ASN A 47 -11.459 -14.146 2.196 1.00 0.00 O ATOM 800 CB ASN A 47 -10.609 -12.607 -0.575 1.00 0.00 C ATOM 801 CG ASN A 47 -10.630 -11.085 -0.596 1.00 0.00 C ATOM 802 OD1 ASN A 47 -11.527 -10.453 -0.049 1.00 0.00 O ATOM 803 ND2 ASN A 47 -9.642 -10.464 -1.222 1.00 0.00 N ATOM 0 H ASN A 47 -8.273 -13.247 -0.451 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.097 -12.264 1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.049 -12.991 -1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.622 -13.002 -0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.619 -9.445 -1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.904 -11.005 -1.672 1.00 0.00 H new ATOM 810 N ARG A 48 -10.272 -15.492 0.847 1.00 0.00 N ATOM 811 CA ARG A 48 -10.741 -16.711 1.492 1.00 0.00 C ATOM 812 C ARG A 48 -10.379 -16.653 2.970 1.00 0.00 C ATOM 813 O ARG A 48 -11.241 -16.712 3.842 1.00 0.00 O ATOM 814 CB ARG A 48 -10.105 -17.942 0.838 1.00 0.00 C ATOM 815 CG ARG A 48 -10.647 -19.272 1.391 1.00 0.00 C ATOM 816 CD ARG A 48 -12.072 -19.602 0.924 1.00 0.00 C ATOM 817 NE ARG A 48 -12.115 -19.665 -0.542 1.00 0.00 N ATOM 818 CZ ARG A 48 -13.157 -19.964 -1.325 1.00 0.00 C ATOM 819 NH1 ARG A 48 -14.273 -20.465 -0.798 1.00 0.00 N ATOM 820 NH2 ARG A 48 -13.024 -19.748 -2.631 1.00 0.00 N ATOM 0 H ARG A 48 -9.665 -15.642 0.041 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.822 -16.790 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.280 -17.905 -0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.026 -17.907 0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.980 -20.079 1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -10.631 -19.235 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.391 -20.554 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.767 -18.844 1.285 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.241 -19.454 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.336 -20.622 0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.065 -20.691 -1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.152 -19.368 -2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.794 -19.962 -3.264 1.00 0.00 H new ATOM 834 N ALA A 49 -9.089 -16.515 3.262 1.00 0.00 N ATOM 835 CA ALA A 49 -8.642 -16.471 4.640 1.00 0.00 C ATOM 836 C ALA A 49 -9.371 -15.370 5.409 1.00 0.00 C ATOM 837 O ALA A 49 -9.790 -15.592 6.543 1.00 0.00 O ATOM 838 CB ALA A 49 -7.125 -16.321 4.691 1.00 0.00 C ATOM 0 H ALA A 49 -8.346 -16.433 2.568 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.891 -17.410 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.797 -16.289 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.658 -17.169 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.834 -15.398 4.190 1.00 0.00 H new ATOM 844 N GLU A 50 -9.581 -14.202 4.795 1.00 0.00 N ATOM 845 CA GLU A 50 -10.202 -13.088 5.477 1.00 0.00 C ATOM 846 C GLU A 50 -11.650 -13.460 5.776 1.00 0.00 C ATOM 847 O GLU A 50 -12.185 -13.130 6.835 1.00 0.00 O ATOM 848 CB GLU A 50 -10.107 -11.822 4.615 1.00 0.00 C ATOM 849 CG GLU A 50 -9.843 -10.591 5.490 1.00 0.00 C ATOM 850 CD GLU A 50 -8.364 -10.391 5.699 1.00 0.00 C ATOM 851 OE1 GLU A 50 -7.784 -11.141 6.511 1.00 0.00 O ATOM 852 OE2 GLU A 50 -7.822 -9.492 5.027 1.00 0.00 O ATOM 0 H GLU A 50 -9.326 -14.014 3.826 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.688 -12.876 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.307 -11.933 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.033 -11.686 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.271 -9.706 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.338 -10.711 6.454 1.00 0.00 H new ATOM 859 N CYS A 51 -12.283 -14.159 4.833 1.00 0.00 N ATOM 860 CA CYS A 51 -13.623 -14.660 5.028 1.00 0.00 C ATOM 861 C CYS A 51 -13.662 -15.542 6.263 1.00 0.00 C ATOM 862 O CYS A 51 -14.519 -15.347 7.114 1.00 0.00 O ATOM 863 CB CYS A 51 -14.237 -15.333 3.786 1.00 0.00 C ATOM 864 SG CYS A 51 -14.271 -17.142 3.901 1.00 0.00 S ATOM 0 H CYS A 51 -11.877 -14.386 3.925 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.270 -13.798 5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.253 -14.965 3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.668 -15.042 2.903 1.00 0.00 H new ATOM 0 HG CYS A 51 -13.060 -17.606 3.809 1.00 0.00 H new ATOM 870 N ILE A 52 -12.690 -16.433 6.446 1.00 0.00 N ATOM 871 CA ILE A 52 -12.713 -17.351 7.572 1.00 0.00 C ATOM 872 C ILE A 52 -12.615 -16.526 8.852 1.00 0.00 C ATOM 873 O ILE A 52 -13.319 -16.820 9.819 1.00 0.00 O ATOM 874 CB ILE A 52 -11.560 -18.372 7.439 1.00 0.00 C ATOM 875 CG1 ILE A 52 -11.760 -19.257 6.196 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.427 -19.252 8.689 1.00 0.00 C ATOM 877 CD1 ILE A 52 -10.515 -20.089 5.879 1.00 0.00 C ATOM 0 H ILE A 52 -11.883 -16.535 5.831 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.639 -17.925 7.597 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.638 -17.802 7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.609 -19.921 6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.004 -18.629 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.605 -19.955 8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.227 -18.623 9.557 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.354 -19.803 8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.700 -20.699 4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.671 -19.425 5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.285 -20.737 6.725 1.00 0.00 H new ATOM 889 N GLN A 53 -11.797 -15.470 8.846 1.00 0.00 N ATOM 890 CA GLN A 53 -11.608 -14.650 10.039 1.00 0.00 C ATOM 891 C GLN A 53 -12.925 -14.137 10.636 1.00 0.00 C ATOM 892 O GLN A 53 -13.011 -13.991 11.857 1.00 0.00 O ATOM 893 CB GLN A 53 -10.577 -13.526 9.837 1.00 0.00 C ATOM 894 CG GLN A 53 -9.222 -14.091 9.394 1.00 0.00 C ATOM 895 CD GLN A 53 -8.041 -13.222 9.799 1.00 0.00 C ATOM 896 OE1 GLN A 53 -7.654 -13.203 10.965 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.431 -12.500 8.870 1.00 0.00 N ATOM 0 H GLN A 53 -11.260 -15.167 8.034 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.184 -15.322 10.785 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.943 -12.823 9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.456 -12.969 10.766 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.095 -15.086 9.821 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.223 -14.207 8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.762 -12.525 7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.630 -11.920 9.119 1.00 0.00 H new ATOM 906 N ARG A 54 -13.951 -13.866 9.820 1.00 0.00 N ATOM 907 CA ARG A 54 -15.245 -13.397 10.287 1.00 0.00 C ATOM 908 C ARG A 54 -16.433 -14.117 9.642 1.00 0.00 C ATOM 909 O ARG A 54 -17.535 -13.569 9.593 1.00 0.00 O ATOM 910 CB ARG A 54 -15.298 -11.897 10.032 1.00 0.00 C ATOM 911 CG ARG A 54 -15.307 -11.487 8.557 1.00 0.00 C ATOM 912 CD ARG A 54 -15.442 -9.961 8.454 1.00 0.00 C ATOM 913 NE ARG A 54 -14.261 -9.299 9.026 1.00 0.00 N ATOM 914 CZ ARG A 54 -14.071 -7.976 9.123 1.00 0.00 C ATOM 915 NH1 ARG A 54 -14.890 -7.112 8.516 1.00 0.00 N ATOM 916 NH2 ARG A 54 -13.035 -7.544 9.835 1.00 0.00 N ATOM 0 H ARG A 54 -13.897 -13.970 8.807 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.338 -13.622 11.349 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -16.191 -11.495 10.510 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.440 -11.432 10.517 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.388 -11.816 8.071 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -16.134 -11.972 8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.559 -9.670 7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.339 -9.633 8.979 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.519 -9.901 9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.677 -7.456 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.728 -6.109 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.413 -8.213 10.288 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.862 -6.543 9.929 1.00 0.00 H new ATOM 930 N GLY A 55 -16.228 -15.310 9.100 1.00 0.00 N ATOM 931 CA GLY A 55 -17.215 -15.998 8.284 1.00 0.00 C ATOM 932 C GLY A 55 -17.404 -15.350 6.903 1.00 0.00 C ATOM 933 O GLY A 55 -17.081 -15.982 5.895 1.00 0.00 O ATOM 0 H GLY A 55 -15.360 -15.832 9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.912 -17.037 8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.170 -16.008 8.809 1.00 0.00 H new ATOM 937 N VAL A 56 -17.919 -14.111 6.850 1.00 0.00 N ATOM 938 CA VAL A 56 -18.274 -13.379 5.622 1.00 0.00 C ATOM 939 C VAL A 56 -19.316 -14.158 4.785 1.00 0.00 C ATOM 940 O VAL A 56 -19.547 -15.350 4.990 1.00 0.00 O ATOM 941 CB VAL A 56 -16.979 -12.990 4.866 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.004 -13.141 3.345 1.00 0.00 C ATOM 943 CG2 VAL A 56 -16.453 -11.577 5.169 1.00 0.00 C ATOM 0 H VAL A 56 -18.107 -13.570 7.694 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.778 -12.444 5.866 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.305 -13.742 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.041 -12.838 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.198 -14.182 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.791 -12.511 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.545 -11.396 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -17.209 -10.841 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.232 -11.491 6.233 1.00 0.00 H new ATOM 953 N SER A 57 -20.007 -13.496 3.854 1.00 0.00 N ATOM 954 CA SER A 57 -20.778 -14.205 2.838 1.00 0.00 C ATOM 955 C SER A 57 -19.760 -14.737 1.817 1.00 0.00 C ATOM 956 O SER A 57 -18.968 -13.942 1.319 1.00 0.00 O ATOM 957 CB SER A 57 -21.793 -13.257 2.195 1.00 0.00 C ATOM 958 OG SER A 57 -23.117 -13.646 2.499 1.00 0.00 O ATOM 0 H SER A 57 -20.047 -12.479 3.785 1.00 0.00 H new ATOM 0 HA SER A 57 -21.352 -15.030 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.620 -12.240 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.653 -13.248 1.114 1.00 0.00 H new ATOM 0 HG SER A 57 -23.746 -13.023 2.078 1.00 0.00 H new ATOM 964 N PRO A 58 -19.734 -16.037 1.495 1.00 0.00 N ATOM 965 CA PRO A 58 -18.616 -16.675 0.809 1.00 0.00 C ATOM 966 C PRO A 58 -18.314 -16.055 -0.555 1.00 0.00 C ATOM 967 O PRO A 58 -17.157 -16.003 -0.966 1.00 0.00 O ATOM 968 CB PRO A 58 -18.984 -18.159 0.698 1.00 0.00 C ATOM 969 CG PRO A 58 -20.508 -18.166 0.824 1.00 0.00 C ATOM 970 CD PRO A 58 -20.791 -16.991 1.756 1.00 0.00 C ATOM 0 HA PRO A 58 -17.694 -16.533 1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.659 -18.582 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.515 -18.748 1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.992 -18.037 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -20.873 -19.105 1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -21.771 -16.557 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -20.788 -17.306 2.799 1.00 0.00 H new ATOM 978 N SER A 59 -19.346 -15.608 -1.263 1.00 0.00 N ATOM 979 CA SER A 59 -19.252 -14.988 -2.577 1.00 0.00 C ATOM 980 C SER A 59 -19.129 -13.462 -2.487 1.00 0.00 C ATOM 981 O SER A 59 -19.100 -12.767 -3.506 1.00 0.00 O ATOM 982 CB SER A 59 -20.524 -15.384 -3.326 1.00 0.00 C ATOM 983 OG SER A 59 -21.625 -15.323 -2.426 1.00 0.00 O ATOM 0 H SER A 59 -20.306 -15.671 -0.923 1.00 0.00 H new ATOM 0 HA SER A 59 -18.355 -15.329 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 59 -20.689 -14.714 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.425 -16.390 -3.733 1.00 0.00 H new ATOM 0 HG SER A 59 -22.447 -15.574 -2.897 1.00 0.00 H new ATOM 989 N GLN A 60 -19.074 -12.915 -1.274 1.00 0.00 N ATOM 990 CA GLN A 60 -18.963 -11.496 -1.000 1.00 0.00 C ATOM 991 C GLN A 60 -17.752 -11.281 -0.100 1.00 0.00 C ATOM 992 O GLN A 60 -17.842 -10.572 0.899 1.00 0.00 O ATOM 993 CB GLN A 60 -20.250 -10.998 -0.321 1.00 0.00 C ATOM 994 CG GLN A 60 -21.487 -11.056 -1.231 1.00 0.00 C ATOM 995 CD GLN A 60 -21.559 -9.820 -2.120 1.00 0.00 C ATOM 996 OE1 GLN A 60 -20.537 -9.224 -2.450 1.00 0.00 O ATOM 997 NE2 GLN A 60 -22.749 -9.363 -2.479 1.00 0.00 N ATOM 0 H GLN A 60 -19.107 -13.478 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.833 -10.933 -1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.436 -11.598 0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.101 -9.971 0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.448 -11.953 -1.849 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -22.389 -11.126 -0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -23.593 -9.864 -2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -22.822 -8.510 -3.034 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.588 -11.815 -0.474 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.363 -11.400 0.198 1.00 0.00 C ATOM 1008 C ALA A 61 -15.070 -9.929 -0.131 1.00 0.00 C ATOM 1009 O ALA A 61 -14.415 -9.232 0.640 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.201 -12.377 -0.034 1.00 0.00 C ATOM 0 H ALA A 61 -16.471 -12.510 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.503 -11.448 1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.314 -12.019 0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.473 -13.362 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.990 -12.445 -1.101 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.658 -9.387 -1.207 1.00 0.00 N ATOM 1017 CA GLN A 62 -15.702 -7.933 -1.396 1.00 0.00 C ATOM 1018 C GLN A 62 -16.188 -7.234 -0.113 1.00 0.00 C ATOM 1019 O GLN A 62 -15.769 -6.121 0.208 1.00 0.00 O ATOM 1020 CB GLN A 62 -16.499 -7.538 -2.662 1.00 0.00 C ATOM 1021 CG GLN A 62 -17.996 -7.237 -2.466 1.00 0.00 C ATOM 1022 CD GLN A 62 -18.223 -5.776 -2.070 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -18.298 -5.436 -0.892 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -18.263 -4.863 -3.029 1.00 0.00 N ATOM 0 H GLN A 62 -16.104 -9.926 -1.949 1.00 0.00 H new ATOM 0 HA GLN A 62 -14.688 -7.576 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -16.029 -6.658 -3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -16.406 -8.345 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.536 -7.454 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.403 -7.892 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -18.201 -5.147 -4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -18.356 -3.876 -2.790 1.00 0.00 H new ATOM 1033 N GLY A 63 -17.088 -7.891 0.619 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.741 -7.371 1.800 1.00 0.00 C ATOM 1035 C GLY A 63 -16.789 -7.071 2.948 1.00 0.00 C ATOM 1036 O GLY A 63 -17.136 -6.259 3.799 1.00 0.00 O ATOM 0 H GLY A 63 -17.388 -8.838 0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.275 -6.458 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.487 -8.091 2.138 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.595 -7.674 2.976 1.00 0.00 N ATOM 1041 CA LEU A 64 -14.583 -7.427 4.000 1.00 0.00 C ATOM 1042 C LEU A 64 -14.490 -5.940 4.383 1.00 0.00 C ATOM 1043 O LEU A 64 -14.368 -5.604 5.563 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.224 -7.994 3.558 1.00 0.00 C ATOM 1045 CG LEU A 64 -12.952 -9.453 3.970 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -12.961 -9.684 5.476 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -13.779 -10.516 3.266 1.00 0.00 C ATOM 0 H LEU A 64 -15.304 -8.357 2.276 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.891 -7.951 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.155 -7.922 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.435 -7.365 3.970 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.933 -9.588 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.762 -10.735 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.191 -9.070 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.936 -9.413 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.499 -11.501 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.837 -10.342 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.595 -10.468 2.193 1.00 0.00 H new ATOM 1059 N GLY A 65 -14.522 -5.051 3.389 1.00 0.00 N ATOM 1060 CA GLY A 65 -14.763 -3.625 3.586 1.00 0.00 C ATOM 1061 C GLY A 65 -13.596 -2.877 4.235 1.00 0.00 C ATOM 1062 O GLY A 65 -12.953 -2.048 3.592 1.00 0.00 O ATOM 0 H GLY A 65 -14.379 -5.307 2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.982 -3.168 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.650 -3.500 4.206 1.00 0.00 H new ATOM 1066 N SER A 66 -13.348 -3.111 5.524 1.00 0.00 N ATOM 1067 CA SER A 66 -12.221 -2.531 6.243 1.00 0.00 C ATOM 1068 C SER A 66 -10.961 -3.252 5.779 1.00 0.00 C ATOM 1069 O SER A 66 -10.032 -2.648 5.247 1.00 0.00 O ATOM 1070 CB SER A 66 -12.427 -2.679 7.759 1.00 0.00 C ATOM 1071 OG SER A 66 -11.513 -1.868 8.466 1.00 0.00 O ATOM 0 H SER A 66 -13.932 -3.716 6.102 1.00 0.00 H new ATOM 0 HA SER A 66 -12.132 -1.465 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.448 -2.400 8.022 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.296 -3.722 8.049 1.00 0.00 H new ATOM 0 HG SER A 66 -11.659 -1.973 9.429 1.00 0.00 H new ATOM 1077 N ASN A 67 -10.971 -4.570 5.968 1.00 0.00 N ATOM 1078 CA ASN A 67 -9.838 -5.436 5.686 1.00 0.00 C ATOM 1079 C ASN A 67 -9.543 -5.494 4.203 1.00 0.00 C ATOM 1080 O ASN A 67 -8.389 -5.705 3.843 1.00 0.00 O ATOM 1081 CB ASN A 67 -10.141 -6.875 6.128 1.00 0.00 C ATOM 1082 CG ASN A 67 -10.087 -7.114 7.626 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -10.869 -7.904 8.144 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -9.231 -6.411 8.350 1.00 0.00 N ATOM 0 H ASN A 67 -11.783 -5.071 6.328 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.987 -5.023 6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.133 -7.148 5.768 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.431 -7.545 5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.211 -6.520 9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.591 -5.761 7.894 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.598 -5.379 3.386 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.599 -5.841 2.009 1.00 0.00 C ATOM 1093 C LEU A 68 -9.269 -5.594 1.316 1.00 0.00 C ATOM 1094 O LEU A 68 -8.904 -4.455 1.011 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.733 -5.193 1.211 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.680 -5.523 -0.292 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -11.901 -7.013 -0.551 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.722 -4.715 -1.066 1.00 0.00 C ATOM 0 H LEU A 68 -11.480 -4.957 3.674 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.760 -6.919 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.689 -5.524 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.689 -4.112 1.341 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.683 -5.254 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.857 -7.207 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.126 -7.589 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.879 -7.308 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.664 -4.966 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.718 -4.951 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.528 -3.650 -0.935 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.604 -6.683 0.993 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.448 -6.695 0.133 1.00 0.00 C ATOM 1112 C VAL A 69 -7.972 -6.705 -1.297 1.00 0.00 C ATOM 1113 O VAL A 69 -8.771 -7.569 -1.657 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.586 -7.909 0.492 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.471 -8.134 -0.530 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.981 -7.670 1.883 1.00 0.00 C ATOM 0 H VAL A 69 -8.863 -7.609 1.333 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.805 -5.823 0.252 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.211 -8.802 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.882 -9.004 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.908 -8.303 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.827 -7.255 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.362 -8.522 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.369 -6.768 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.782 -7.550 2.612 1.00 0.00 H new ATOM 1126 N THR A 70 -7.552 -5.715 -2.081 1.00 0.00 N ATOM 1127 CA THR A 70 -7.720 -5.663 -3.520 1.00 0.00 C ATOM 1128 C THR A 70 -6.341 -5.849 -4.162 1.00 0.00 C ATOM 1129 O THR A 70 -5.324 -5.687 -3.480 1.00 0.00 O ATOM 1130 CB THR A 70 -8.338 -4.305 -3.891 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.606 -3.240 -3.304 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.764 -4.197 -3.356 1.00 0.00 C ATOM 0 H THR A 70 -7.067 -4.898 -1.711 1.00 0.00 H new ATOM 0 HA THR A 70 -8.384 -6.449 -3.880 1.00 0.00 H new ATOM 0 HB THR A 70 -8.320 -4.238 -4.979 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.015 -2.385 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.183 -3.229 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.375 -4.991 -3.786 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.754 -4.294 -2.270 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.281 -6.146 -5.461 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.024 -6.287 -6.194 1.00 0.00 C ATOM 1142 C GLU A 71 -4.066 -5.148 -5.874 1.00 0.00 C ATOM 1143 O GLU A 71 -2.933 -5.395 -5.477 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.244 -6.391 -7.707 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.514 -5.675 -8.173 1.00 0.00 C ATOM 1146 CD GLU A 71 -6.478 -5.283 -9.623 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -5.616 -5.804 -10.365 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -7.319 -4.439 -9.993 1.00 0.00 O ATOM 0 H GLU A 71 -7.109 -6.296 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.574 -7.222 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.383 -5.968 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.301 -7.442 -7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.373 -6.324 -8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.663 -4.782 -7.566 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.511 -3.901 -6.025 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.659 -2.746 -5.789 1.00 0.00 C ATOM 1157 C VAL A 72 -2.965 -2.827 -4.425 1.00 0.00 C ATOM 1158 O VAL A 72 -1.837 -2.359 -4.282 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.438 -1.432 -5.979 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.637 -1.305 -5.034 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.510 -0.230 -5.780 1.00 0.00 C ATOM 0 H VAL A 72 -5.462 -3.669 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.867 -2.754 -6.538 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.824 -1.449 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.145 -0.358 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.329 -2.128 -5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.291 -1.338 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.075 0.692 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.094 -0.254 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.700 -0.271 -6.508 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.617 -3.407 -3.412 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.982 -3.553 -2.121 1.00 0.00 C ATOM 1173 C ARG A 73 -1.788 -4.482 -2.211 1.00 0.00 C ATOM 1174 O ARG A 73 -0.697 -4.107 -1.791 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.955 -4.032 -1.038 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.004 -2.975 -0.689 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.421 -1.628 -0.230 1.00 0.00 C ATOM 1178 NE ARG A 73 -3.090 -1.730 0.402 1.00 0.00 N ATOM 1179 CZ ARG A 73 -2.552 -0.866 1.274 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -3.294 0.130 1.762 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -1.276 -1.017 1.625 1.00 0.00 N ATOM 0 H ARG A 73 -4.567 -3.774 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.638 -2.562 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.456 -4.939 -1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.395 -4.295 -0.140 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.635 -2.805 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.648 -3.366 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.353 -0.962 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.112 -1.167 0.476 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.523 -2.539 0.149 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.266 0.231 1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.889 0.790 2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.726 -1.780 1.231 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.849 -0.369 2.287 1.00 0.00 H new ATOM 1195 N VAL A 74 -1.983 -5.700 -2.705 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.882 -6.646 -2.746 1.00 0.00 C ATOM 1197 C VAL A 74 0.199 -6.099 -3.684 1.00 0.00 C ATOM 1198 O VAL A 74 1.375 -6.024 -3.340 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.407 -8.065 -3.017 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -1.747 -8.358 -4.470 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -0.423 -9.107 -2.487 1.00 0.00 C ATOM 0 H VAL A 74 -2.869 -6.046 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.383 -6.754 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.354 -8.125 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.108 -9.382 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.521 -7.669 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.856 -8.233 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.809 -10.107 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.540 -8.984 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.297 -8.975 -1.412 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.214 -5.588 -4.836 1.00 0.00 N ATOM 1212 CA TYR A 75 0.665 -4.855 -5.730 1.00 0.00 C ATOM 1213 C TYR A 75 1.539 -3.879 -4.932 1.00 0.00 C ATOM 1214 O TYR A 75 2.766 -3.918 -5.024 1.00 0.00 O ATOM 1215 CB TYR A 75 -0.166 -4.125 -6.794 1.00 0.00 C ATOM 1216 CG TYR A 75 0.443 -4.055 -8.176 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.837 -4.059 -8.370 1.00 0.00 C ATOM 1218 CD2 TYR A 75 -0.416 -4.003 -9.287 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.366 -3.992 -9.667 1.00 0.00 C ATOM 1220 CE2 TYR A 75 0.117 -3.910 -10.579 1.00 0.00 C ATOM 1221 CZ TYR A 75 1.507 -3.903 -10.770 1.00 0.00 C ATOM 1222 OH TYR A 75 2.007 -3.786 -12.032 1.00 0.00 O ATOM 0 H TYR A 75 -1.172 -5.672 -5.176 1.00 0.00 H new ATOM 0 HA TYR A 75 1.329 -5.554 -6.239 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.136 -4.617 -6.870 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.351 -3.108 -6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.500 -4.114 -7.519 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.486 -4.035 -9.145 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.436 -4.009 -9.816 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.544 -3.843 -11.431 1.00 0.00 H new ATOM 0 HH TYR A 75 1.268 -3.738 -12.674 1.00 0.00 H new ATOM 1232 N ASN A 76 0.914 -3.026 -4.116 1.00 0.00 N ATOM 1233 CA ASN A 76 1.657 -2.029 -3.366 1.00 0.00 C ATOM 1234 C ASN A 76 2.500 -2.615 -2.232 1.00 0.00 C ATOM 1235 O ASN A 76 3.573 -2.072 -1.966 1.00 0.00 O ATOM 1236 CB ASN A 76 0.831 -0.802 -2.948 1.00 0.00 C ATOM 1237 CG ASN A 76 -0.174 -0.951 -1.805 1.00 0.00 C ATOM 1238 OD1 ASN A 76 0.064 -1.551 -0.758 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -1.333 -0.320 -1.973 1.00 0.00 N ATOM 0 H ASN A 76 -0.094 -3.011 -3.964 1.00 0.00 H new ATOM 0 HA ASN A 76 2.377 -1.637 -4.084 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.529 -0.011 -2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.285 -0.456 -3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.032 -0.331 -1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.522 0.175 -2.844 1.00 0.00 H new ATOM 1246 N TRP A 77 2.085 -3.708 -1.580 1.00 0.00 N ATOM 1247 CA TRP A 77 2.939 -4.361 -0.584 1.00 0.00 C ATOM 1248 C TRP A 77 4.245 -4.767 -1.264 1.00 0.00 C ATOM 1249 O TRP A 77 5.317 -4.374 -0.809 1.00 0.00 O ATOM 1250 CB TRP A 77 2.243 -5.534 0.150 1.00 0.00 C ATOM 1251 CG TRP A 77 2.789 -6.921 -0.075 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.399 -7.743 -1.068 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.742 -7.717 0.703 1.00 0.00 C ATOM 1254 NE1 TRP A 77 3.143 -8.891 -1.082 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.930 -8.965 0.035 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.411 -7.562 1.936 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.730 -9.988 0.543 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 5.155 -8.622 2.495 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.356 -9.816 1.779 1.00 0.00 C ATOM 0 H TRP A 77 1.178 -4.152 -1.722 1.00 0.00 H new ATOM 0 HA TRP A 77 3.156 -3.652 0.215 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.278 -5.329 1.220 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.192 -5.536 -0.140 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.602 -7.524 -1.763 1.00 0.00 H new ATOM 0 HE1 TRP A 77 3.115 -9.593 -1.821 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.352 -6.619 2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.864 -10.904 -0.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.575 -8.516 3.484 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.989 -10.593 2.182 1.00 0.00 H new ATOM 1270 N PHE A 78 4.158 -5.492 -2.383 1.00 0.00 N ATOM 1271 CA PHE A 78 5.336 -5.883 -3.141 1.00 0.00 C ATOM 1272 C PHE A 78 6.142 -4.644 -3.500 1.00 0.00 C ATOM 1273 O PHE A 78 7.339 -4.568 -3.240 1.00 0.00 O ATOM 1274 CB PHE A 78 4.945 -6.626 -4.420 1.00 0.00 C ATOM 1275 CG PHE A 78 4.389 -8.012 -4.191 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.257 -9.033 -3.767 1.00 0.00 C ATOM 1277 CD2 PHE A 78 3.100 -8.337 -4.649 1.00 0.00 C ATOM 1278 CE1 PHE A 78 4.822 -10.367 -3.746 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.692 -9.678 -4.689 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.532 -10.685 -4.190 1.00 0.00 C ATOM 0 H PHE A 78 3.277 -5.818 -2.780 1.00 0.00 H new ATOM 0 HA PHE A 78 5.936 -6.552 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.204 -6.034 -4.957 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.821 -6.701 -5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.262 -8.790 -3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.426 -7.556 -4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.479 -11.146 -3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.729 -9.936 -5.105 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.184 -11.706 -4.148 1.00 0.00 H new ATOM 1290 N ALA A 79 5.476 -3.658 -4.094 1.00 0.00 N ATOM 1291 CA ALA A 79 6.134 -2.450 -4.547 1.00 0.00 C ATOM 1292 C ALA A 79 6.886 -1.756 -3.416 1.00 0.00 C ATOM 1293 O ALA A 79 7.903 -1.114 -3.672 1.00 0.00 O ATOM 1294 CB ALA A 79 5.113 -1.513 -5.178 1.00 0.00 C ATOM 0 H ALA A 79 4.472 -3.679 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 79 6.875 -2.727 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.613 -0.606 -5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.642 -2.007 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.352 -1.254 -4.441 1.00 0.00 H new ATOM 1300 N ASN A 80 6.390 -1.828 -2.182 1.00 0.00 N ATOM 1301 CA ASN A 80 7.054 -1.219 -1.037 1.00 0.00 C ATOM 1302 C ASN A 80 8.204 -2.099 -0.558 1.00 0.00 C ATOM 1303 O ASN A 80 9.325 -1.608 -0.412 1.00 0.00 O ATOM 1304 CB ASN A 80 6.052 -0.911 0.084 1.00 0.00 C ATOM 1305 CG ASN A 80 5.384 0.438 -0.151 1.00 0.00 C ATOM 1306 OD1 ASN A 80 5.841 1.467 0.345 1.00 0.00 O ATOM 1307 ND2 ASN A 80 4.333 0.484 -0.955 1.00 0.00 N ATOM 0 H ASN A 80 5.520 -2.308 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 80 7.480 -0.265 -1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.296 -1.695 0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.564 -0.907 1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.893 1.379 -1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.963 -0.376 -1.360 1.00 0.00 H new ATOM 1314 N ARG A 81 7.940 -3.392 -0.360 1.00 0.00 N ATOM 1315 CA ARG A 81 8.941 -4.402 -0.030 1.00 0.00 C ATOM 1316 C ARG A 81 10.169 -4.247 -0.921 1.00 0.00 C ATOM 1317 O ARG A 81 11.291 -4.265 -0.434 1.00 0.00 O ATOM 1318 CB ARG A 81 8.335 -5.803 -0.181 1.00 0.00 C ATOM 1319 CG ARG A 81 7.397 -6.127 0.990 1.00 0.00 C ATOM 1320 CD ARG A 81 7.964 -7.156 1.983 1.00 0.00 C ATOM 1321 NE ARG A 81 9.366 -6.896 2.357 1.00 0.00 N ATOM 1322 CZ ARG A 81 10.455 -7.542 1.911 1.00 0.00 C ATOM 1323 NH1 ARG A 81 10.330 -8.567 1.074 1.00 0.00 N ATOM 1324 NH2 ARG A 81 11.667 -7.157 2.291 1.00 0.00 N ATOM 0 H ARG A 81 6.996 -3.774 -0.427 1.00 0.00 H new ATOM 0 HA ARG A 81 9.255 -4.266 1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.785 -5.866 -1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.132 -6.545 -0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.172 -5.206 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.454 -6.503 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.350 -7.158 2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.891 -8.151 1.545 1.00 0.00 H new ATOM 0 HE ARG A 81 9.526 -6.144 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.404 -8.866 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.160 -9.055 0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.775 -6.366 2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.490 -7.652 1.948 1.00 0.00 H new ATOM 1338 N ARG A 82 9.962 -4.045 -2.220 1.00 0.00 N ATOM 1339 CA ARG A 82 11.039 -3.799 -3.166 1.00 0.00 C ATOM 1340 C ARG A 82 12.061 -2.787 -2.638 1.00 0.00 C ATOM 1341 O ARG A 82 13.254 -3.013 -2.783 1.00 0.00 O ATOM 1342 CB ARG A 82 10.457 -3.299 -4.488 1.00 0.00 C ATOM 1343 CG ARG A 82 9.724 -4.405 -5.256 1.00 0.00 C ATOM 1344 CD ARG A 82 10.696 -5.074 -6.230 1.00 0.00 C ATOM 1345 NE ARG A 82 10.043 -6.103 -7.056 1.00 0.00 N ATOM 1346 CZ ARG A 82 10.330 -6.356 -8.345 1.00 0.00 C ATOM 1347 NH1 ARG A 82 11.238 -5.634 -9.004 1.00 0.00 N ATOM 1348 NH2 ARG A 82 9.711 -7.347 -8.980 1.00 0.00 N ATOM 0 H ARG A 82 9.035 -4.048 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 82 11.563 -4.743 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.768 -2.478 -4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.260 -2.900 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.323 -5.142 -4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.877 -3.986 -5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.135 -4.316 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.514 -5.527 -5.669 1.00 0.00 H new ATOM 0 HE ARG A 82 9.316 -6.668 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.728 -4.875 -8.530 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.442 -5.841 -9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.020 -7.914 -8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.928 -7.540 -9.958 1.00 0.00 H new