USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 522 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 56 THR OG1 : rot -54:sc= 1.18 USER MOD Set 1.2: A 71 ASN : amide:sc= 2.34 K(o=3.5,f=-1.2) USER MOD Set 2.1: A 49 HIS : no HD1:sc= 0.143 X(o=0.3,f=0) USER MOD Set 2.2: A 78 ASN : amide:sc= 0.158 X(o=0.3,f=0) USER MOD Set 3.1: A 31 SER OG : rot 20:sc= 1.1 USER MOD Set 3.2: A 33 GLN : amide:sc= 0.439 K(o=1.5,f=0.65) USER MOD Set 4.1: A 30 GLN : amide:sc= 0.532 X(o=1.2,f=1.3) USER MOD Set 4.2: A 34 GLN : amide:sc= 0.717 X(o=1.2,f=1.3) USER MOD Set 5.1: A 21 ASN : amide:sc= -0.0539 X(o=0.6,f=0.71) USER MOD Set 5.2: A 25 GLN : amide:sc= 0.652 K(o=0.6,f=-0.012) USER MOD Single : A 19 LYS NZ :NH3+ -125:sc= 0.182 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -122:sc= 0.893 (180deg=0.147) USER MOD Single : A 36 SER OG : rot 62:sc= 0.522 USER MOD Single : A 41 THR OG1 : rot 1:sc= 1.04 USER MOD Single : A 43 SER OG : rot 110:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.471 K(o=0.47,f=-0.13) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -137:sc= 0.366 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -137:sc= 1.13 USER MOD Single : A 80 GLN : amide:sc= 1.12 K(o=1.1,f=-0.26) USER MOD Single : A 88 TYR OH : rot 25:sc= 1.24 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 1.993 -2.531 -1.566 1.00 0.00 N ATOM 265 CA ILE A 18 1.223 -2.142 -0.335 1.00 0.00 C ATOM 266 C ILE A 18 1.447 -3.101 0.883 1.00 0.00 C ATOM 267 O ILE A 18 1.643 -4.311 0.742 1.00 0.00 O ATOM 268 CB ILE A 18 -0.279 -1.944 -0.757 1.00 0.00 C ATOM 269 CG1 ILE A 18 -0.479 -0.593 -1.516 1.00 0.00 C ATOM 270 CG2 ILE A 18 -1.336 -2.068 0.354 1.00 0.00 C ATOM 271 CD1 ILE A 18 -0.378 0.687 -0.689 1.00 0.00 C ATOM 0 HA ILE A 18 1.603 -1.198 0.057 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.460 -2.797 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.261 -0.540 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.460 -0.613 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.328 -1.910 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.284 -3.063 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.146 -1.319 1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.536 1.551 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.137 0.675 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.611 0.750 -0.235 1.00 0.00 H new ATOM 283 N LYS A 19 1.456 -2.499 2.079 1.00 0.00 N ATOM 284 CA LYS A 19 1.750 -3.180 3.357 1.00 0.00 C ATOM 285 C LYS A 19 0.787 -2.584 4.466 1.00 0.00 C ATOM 286 O LYS A 19 0.248 -1.476 4.359 1.00 0.00 O ATOM 287 CB LYS A 19 3.235 -2.986 3.770 1.00 0.00 C ATOM 288 CG LYS A 19 4.328 -3.362 2.747 1.00 0.00 C ATOM 289 CD LYS A 19 4.491 -4.873 2.559 1.00 0.00 C ATOM 290 CE LYS A 19 5.403 -5.279 1.391 1.00 0.00 C ATOM 291 NZ LYS A 19 4.683 -5.103 0.102 1.00 0.00 N ATOM 0 H LYS A 19 1.256 -1.505 2.193 1.00 0.00 H new ATOM 0 HA LYS A 19 1.584 -4.251 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.373 -1.938 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.409 -3.570 4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.087 -2.908 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.279 -2.939 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.890 -5.299 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.507 -5.315 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.309 -4.672 1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.714 -6.317 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.696 -5.998 -0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.698 -4.826 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.151 -4.362 -0.458 1.00 0.00 H new ATOM 305 N GLN A 20 0.594 -3.344 5.535 1.00 0.00 N ATOM 306 CA GLN A 20 -0.187 -2.913 6.731 1.00 0.00 C ATOM 307 C GLN A 20 0.630 -2.051 7.739 1.00 0.00 C ATOM 308 O GLN A 20 0.250 -0.911 8.011 1.00 0.00 O ATOM 309 CB GLN A 20 -0.800 -4.214 7.297 1.00 0.00 C ATOM 310 CG GLN A 20 -1.714 -4.099 8.531 1.00 0.00 C ATOM 311 CD GLN A 20 -1.009 -4.267 9.872 1.00 0.00 C ATOM 312 OE1 GLN A 20 -0.390 -5.286 10.165 1.00 0.00 O ATOM 313 NE2 GLN A 20 -1.102 -3.310 10.762 1.00 0.00 N ATOM 0 H GLN A 20 0.970 -4.289 5.617 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.980 -2.210 6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.372 -4.689 6.500 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.019 -4.888 7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.202 -3.125 8.514 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.500 -4.850 8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.612 -2.455 10.540 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.665 -3.420 11.677 1.00 0.00 H new ATOM 322 N ASN A 21 1.722 -2.598 8.285 1.00 0.00 N ATOM 323 CA ASN A 21 2.614 -1.896 9.250 1.00 0.00 C ATOM 324 C ASN A 21 3.908 -1.304 8.612 1.00 0.00 C ATOM 325 O ASN A 21 4.384 -0.280 9.106 1.00 0.00 O ATOM 326 CB ASN A 21 2.883 -2.919 10.377 1.00 0.00 C ATOM 327 CG ASN A 21 3.591 -2.392 11.613 1.00 0.00 C ATOM 328 OD1 ASN A 21 2.981 -1.923 12.569 1.00 0.00 O ATOM 329 ND2 ASN A 21 4.895 -2.474 11.656 1.00 0.00 N ATOM 0 H ASN A 21 2.025 -3.549 8.075 1.00 0.00 H new ATOM 0 HA ASN A 21 2.132 -0.999 9.640 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.929 -3.346 10.686 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.478 -3.734 9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.400 -2.149 12.481 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.408 -2.863 10.865 1.00 0.00 H new ATOM 336 N ALA A 22 4.476 -1.879 7.537 1.00 0.00 N ATOM 337 CA ALA A 22 5.563 -1.208 6.780 1.00 0.00 C ATOM 338 C ALA A 22 5.187 0.076 5.967 1.00 0.00 C ATOM 339 O ALA A 22 6.099 0.850 5.679 1.00 0.00 O ATOM 340 CB ALA A 22 6.268 -2.280 5.947 1.00 0.00 C ATOM 0 H ALA A 22 4.210 -2.793 7.172 1.00 0.00 H new ATOM 0 HA ALA A 22 6.239 -0.768 7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.076 -1.823 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.678 -3.043 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.553 -2.738 5.263 1.00 0.00 H new ATOM 346 N VAL A 23 3.903 0.379 5.673 1.00 0.00 N ATOM 347 CA VAL A 23 3.481 1.764 5.269 1.00 0.00 C ATOM 348 C VAL A 23 3.521 2.810 6.436 1.00 0.00 C ATOM 349 O VAL A 23 3.910 3.949 6.175 1.00 0.00 O ATOM 350 CB VAL A 23 2.116 1.786 4.509 1.00 0.00 C ATOM 351 CG1 VAL A 23 1.715 3.204 4.025 1.00 0.00 C ATOM 352 CG2 VAL A 23 2.141 0.885 3.256 1.00 0.00 C ATOM 0 H VAL A 23 3.141 -0.298 5.703 1.00 0.00 H new ATOM 0 HA VAL A 23 4.244 2.087 4.561 1.00 0.00 H new ATOM 0 HB VAL A 23 1.393 1.423 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.759 3.154 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.627 3.870 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.478 3.586 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.173 0.929 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.917 1.232 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.351 -0.143 3.551 1.00 0.00 H new ATOM 362 N GLU A 24 3.186 2.455 7.693 1.00 0.00 N ATOM 363 CA GLU A 24 3.612 3.271 8.874 1.00 0.00 C ATOM 364 C GLU A 24 5.166 3.481 8.961 1.00 0.00 C ATOM 365 O GLU A 24 5.636 4.623 8.980 1.00 0.00 O ATOM 366 CB GLU A 24 3.028 2.614 10.155 1.00 0.00 C ATOM 367 CG GLU A 24 3.315 3.363 11.474 1.00 0.00 C ATOM 368 CD GLU A 24 3.088 2.520 12.716 1.00 0.00 C ATOM 369 OE1 GLU A 24 1.941 2.475 13.205 1.00 0.00 O ATOM 370 OE2 GLU A 24 4.032 1.868 13.217 1.00 0.00 O ATOM 0 H GLU A 24 2.634 1.629 7.926 1.00 0.00 H new ATOM 0 HA GLU A 24 3.214 4.280 8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.948 2.523 10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.426 1.603 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.348 3.712 11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.680 4.248 11.525 1.00 0.00 H new ATOM 377 N GLN A 25 5.929 2.381 9.009 1.00 0.00 N ATOM 378 CA GLN A 25 7.381 2.426 9.324 1.00 0.00 C ATOM 379 C GLN A 25 8.371 2.641 8.140 1.00 0.00 C ATOM 380 O GLN A 25 9.566 2.792 8.406 1.00 0.00 O ATOM 381 CB GLN A 25 7.707 1.174 10.187 1.00 0.00 C ATOM 382 CG GLN A 25 7.174 1.340 11.634 1.00 0.00 C ATOM 383 CD GLN A 25 7.212 0.098 12.502 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.081 -0.763 12.418 1.00 0.00 O ATOM 385 NE2 GLN A 25 6.269 -0.028 13.403 1.00 0.00 N ATOM 0 H GLN A 25 5.572 1.441 8.834 1.00 0.00 H new ATOM 0 HA GLN A 25 7.556 3.350 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.263 0.289 9.732 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.785 1.014 10.209 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.753 2.121 12.126 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.144 1.692 11.582 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.541 0.682 13.482 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.263 -0.836 14.025 1.00 0.00 H new ATOM 394 N LEU A 26 7.913 2.798 6.882 1.00 0.00 N ATOM 395 CA LEU A 26 8.714 3.449 5.808 1.00 0.00 C ATOM 396 C LEU A 26 9.174 4.913 6.066 1.00 0.00 C ATOM 397 O LEU A 26 10.287 5.258 5.668 1.00 0.00 O ATOM 398 CB LEU A 26 8.085 3.203 4.414 1.00 0.00 C ATOM 399 CG LEU A 26 6.697 3.766 4.058 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.655 5.252 3.698 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.152 3.005 2.823 1.00 0.00 C ATOM 0 H LEU A 26 6.991 2.484 6.577 1.00 0.00 H new ATOM 0 HA LEU A 26 9.676 2.937 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.786 3.591 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.037 2.123 4.272 1.00 0.00 H new ATOM 0 HG LEU A 26 6.106 3.636 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.630 5.541 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.016 5.841 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.289 5.434 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.168 3.395 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.832 3.141 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.071 1.943 3.056 1.00 0.00 H new ATOM 413 N GLN A 27 8.337 5.741 6.730 1.00 0.00 N ATOM 414 CA GLN A 27 8.700 7.106 7.217 1.00 0.00 C ATOM 415 C GLN A 27 9.487 8.038 6.243 1.00 0.00 C ATOM 416 O GLN A 27 10.520 8.618 6.583 1.00 0.00 O ATOM 417 CB GLN A 27 9.269 6.933 8.647 1.00 0.00 C ATOM 418 CG GLN A 27 9.396 8.238 9.459 1.00 0.00 C ATOM 419 CD GLN A 27 9.487 8.044 10.965 1.00 0.00 C ATOM 420 OE1 GLN A 27 8.605 8.452 11.715 1.00 0.00 O ATOM 421 NE2 GLN A 27 10.547 7.459 11.468 1.00 0.00 N ATOM 0 H GLN A 27 7.375 5.483 6.950 1.00 0.00 H new ATOM 0 HA GLN A 27 7.800 7.719 7.255 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.629 6.242 9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.253 6.469 8.577 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.282 8.775 9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.537 8.872 9.239 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.283 7.118 10.850 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.636 7.345 12.478 1.00 0.00 H new ATOM 430 N VAL A 28 8.944 8.198 5.029 1.00 0.00 N ATOM 431 CA VAL A 28 9.561 9.036 3.963 1.00 0.00 C ATOM 432 C VAL A 28 9.091 10.515 4.157 1.00 0.00 C ATOM 433 O VAL A 28 7.889 10.782 4.196 1.00 0.00 O ATOM 434 CB VAL A 28 9.188 8.464 2.552 1.00 0.00 C ATOM 435 CG1 VAL A 28 9.696 9.342 1.382 1.00 0.00 C ATOM 436 CG2 VAL A 28 9.769 7.048 2.306 1.00 0.00 C ATOM 0 H VAL A 28 8.068 7.757 4.747 1.00 0.00 H new ATOM 0 HA VAL A 28 10.649 9.015 4.032 1.00 0.00 H new ATOM 0 HB VAL A 28 8.098 8.443 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.404 8.890 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.260 10.338 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.782 9.417 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.479 6.703 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.856 7.084 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.381 6.360 3.057 1.00 0.00 H new ATOM 446 N GLY A 29 10.049 11.447 4.243 1.00 0.00 N ATOM 447 CA GLY A 29 9.764 12.902 4.313 1.00 0.00 C ATOM 448 C GLY A 29 10.635 13.759 3.375 1.00 0.00 C ATOM 449 O GLY A 29 11.312 14.676 3.837 1.00 0.00 O ATOM 0 H GLY A 29 11.044 11.223 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.715 13.068 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.911 13.241 5.338 1.00 0.00 H new ATOM 453 N GLN A 30 10.605 13.454 2.067 1.00 0.00 N ATOM 454 CA GLN A 30 11.548 14.048 1.076 1.00 0.00 C ATOM 455 C GLN A 30 10.878 14.367 -0.294 1.00 0.00 C ATOM 456 O GLN A 30 11.051 15.487 -0.776 1.00 0.00 O ATOM 457 CB GLN A 30 12.781 13.112 0.948 1.00 0.00 C ATOM 458 CG GLN A 30 14.038 13.715 0.286 1.00 0.00 C ATOM 459 CD GLN A 30 14.011 13.859 -1.229 1.00 0.00 C ATOM 460 OE1 GLN A 30 13.843 12.898 -1.973 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.177 15.050 -1.752 1.00 0.00 N ATOM 0 H GLN A 30 9.939 12.798 1.660 1.00 0.00 H new ATOM 0 HA GLN A 30 11.876 15.022 1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.053 12.768 1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.484 12.232 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.210 14.701 0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.894 13.095 0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.318 15.858 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.165 15.168 -2.765 1.00 0.00 H new ATOM 470 N SER A 31 10.187 13.407 -0.937 1.00 0.00 N ATOM 471 CA SER A 31 9.672 13.574 -2.321 1.00 0.00 C ATOM 472 C SER A 31 8.400 12.723 -2.584 1.00 0.00 C ATOM 473 O SER A 31 8.244 11.605 -2.075 1.00 0.00 O ATOM 474 CB SER A 31 10.807 13.217 -3.320 1.00 0.00 C ATOM 475 OG SER A 31 10.402 13.324 -4.686 1.00 0.00 O ATOM 0 H SER A 31 9.969 12.501 -0.523 1.00 0.00 H new ATOM 0 HA SER A 31 9.371 14.612 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.657 13.876 -3.146 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.148 12.200 -3.126 1.00 0.00 H new ATOM 0 HG SER A 31 9.603 13.889 -4.747 1.00 0.00 H new ATOM 481 N LYS A 32 7.526 13.244 -3.463 1.00 0.00 N ATOM 482 CA LYS A 32 6.361 12.485 -3.988 1.00 0.00 C ATOM 483 C LYS A 32 6.665 11.212 -4.820 1.00 0.00 C ATOM 484 O LYS A 32 6.008 10.189 -4.614 1.00 0.00 O ATOM 485 CB LYS A 32 5.344 13.442 -4.655 1.00 0.00 C ATOM 486 CG LYS A 32 5.745 14.117 -5.969 1.00 0.00 C ATOM 487 CD LYS A 32 4.680 15.064 -6.544 1.00 0.00 C ATOM 488 CE LYS A 32 4.310 16.310 -5.722 1.00 0.00 C ATOM 489 NZ LYS A 32 5.403 17.320 -5.677 1.00 0.00 N ATOM 0 H LYS A 32 7.599 14.193 -3.831 1.00 0.00 H new ATOM 0 HA LYS A 32 5.898 12.042 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.427 12.881 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.103 14.226 -3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.666 14.678 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.966 13.346 -6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.023 15.398 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.770 14.486 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.417 16.767 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.060 16.007 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.666 17.503 -4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.230 16.960 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.077 18.204 -6.117 1.00 0.00 H new ATOM 503 N GLN A 33 7.671 11.258 -5.706 1.00 0.00 N ATOM 504 CA GLN A 33 8.161 10.059 -6.429 1.00 0.00 C ATOM 505 C GLN A 33 8.828 8.942 -5.580 1.00 0.00 C ATOM 506 O GLN A 33 8.675 7.780 -5.953 1.00 0.00 O ATOM 507 CB GLN A 33 8.978 10.468 -7.674 1.00 0.00 C ATOM 508 CG GLN A 33 10.232 11.342 -7.512 1.00 0.00 C ATOM 509 CD GLN A 33 11.473 10.676 -6.942 1.00 0.00 C ATOM 510 OE1 GLN A 33 11.891 9.599 -7.351 1.00 0.00 O ATOM 511 NE2 GLN A 33 12.138 11.304 -6.004 1.00 0.00 N ATOM 0 H GLN A 33 8.169 12.116 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 33 7.256 9.549 -6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.284 9.551 -8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.301 10.992 -8.349 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.487 11.752 -8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.976 12.185 -6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.802 12.201 -5.654 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.992 10.896 -5.624 1.00 0.00 H new ATOM 520 N GLN A 34 9.487 9.240 -4.442 1.00 0.00 N ATOM 521 CA GLN A 34 9.959 8.183 -3.509 1.00 0.00 C ATOM 522 C GLN A 34 8.799 7.398 -2.812 1.00 0.00 C ATOM 523 O GLN A 34 8.754 6.173 -2.943 1.00 0.00 O ATOM 524 CB GLN A 34 10.949 8.728 -2.448 1.00 0.00 C ATOM 525 CG GLN A 34 12.348 9.089 -2.986 1.00 0.00 C ATOM 526 CD GLN A 34 13.435 8.987 -1.919 1.00 0.00 C ATOM 527 OE1 GLN A 34 13.841 7.900 -1.525 1.00 0.00 O ATOM 528 NE2 GLN A 34 13.954 10.074 -1.406 1.00 0.00 N ATOM 0 H GLN A 34 9.705 10.191 -4.144 1.00 0.00 H new ATOM 0 HA GLN A 34 10.490 7.474 -4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.513 9.615 -1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.060 7.983 -1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.596 8.426 -3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.329 10.104 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.632 10.990 -1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.681 10.005 -0.694 1.00 0.00 H new ATOM 537 N VAL A 35 7.865 8.074 -2.117 1.00 0.00 N ATOM 538 CA VAL A 35 6.688 7.384 -1.503 1.00 0.00 C ATOM 539 C VAL A 35 5.719 6.703 -2.516 1.00 0.00 C ATOM 540 O VAL A 35 5.307 5.568 -2.267 1.00 0.00 O ATOM 541 CB VAL A 35 6.026 8.312 -0.444 1.00 0.00 C ATOM 542 CG1 VAL A 35 5.176 9.455 -1.013 1.00 0.00 C ATOM 543 CG2 VAL A 35 5.172 7.520 0.566 1.00 0.00 C ATOM 0 H VAL A 35 7.890 9.082 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 35 7.055 6.509 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 35 6.882 8.769 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.760 10.042 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.799 10.095 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.364 9.042 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.729 8.208 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.380 6.990 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.802 6.801 1.090 1.00 0.00 H new ATOM 553 N SER A 36 5.409 7.337 -3.661 1.00 0.00 N ATOM 554 CA SER A 36 4.613 6.689 -4.737 1.00 0.00 C ATOM 555 C SER A 36 5.304 5.509 -5.484 1.00 0.00 C ATOM 556 O SER A 36 4.626 4.517 -5.751 1.00 0.00 O ATOM 557 CB SER A 36 4.101 7.786 -5.696 1.00 0.00 C ATOM 558 OG SER A 36 2.852 7.422 -6.282 1.00 0.00 O ATOM 0 H SER A 36 5.693 8.294 -3.872 1.00 0.00 H new ATOM 0 HA SER A 36 3.777 6.187 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.990 8.724 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.837 7.958 -6.481 1.00 0.00 H new ATOM 0 HG SER A 36 2.178 7.321 -5.578 1.00 0.00 H new ATOM 564 N ALA A 37 6.623 5.549 -5.752 1.00 0.00 N ATOM 565 CA ALA A 37 7.379 4.354 -6.217 1.00 0.00 C ATOM 566 C ALA A 37 7.464 3.162 -5.211 1.00 0.00 C ATOM 567 O ALA A 37 7.238 2.022 -5.622 1.00 0.00 O ATOM 568 CB ALA A 37 8.782 4.817 -6.637 1.00 0.00 C ATOM 0 H ALA A 37 7.192 6.390 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 37 6.816 3.937 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.360 3.960 -6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.698 5.547 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.285 5.273 -5.784 1.00 0.00 H new ATOM 574 N LEU A 38 7.743 3.422 -3.920 1.00 0.00 N ATOM 575 CA LEU A 38 7.679 2.382 -2.853 1.00 0.00 C ATOM 576 C LEU A 38 6.260 1.758 -2.609 1.00 0.00 C ATOM 577 O LEU A 38 6.158 0.541 -2.449 1.00 0.00 O ATOM 578 CB LEU A 38 8.266 2.951 -1.530 1.00 0.00 C ATOM 579 CG LEU A 38 9.780 2.737 -1.305 1.00 0.00 C ATOM 580 CD1 LEU A 38 10.683 3.449 -2.314 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.147 3.229 0.112 1.00 0.00 C ATOM 0 H LEU A 38 8.017 4.344 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 38 8.283 1.551 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.063 4.022 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.729 2.500 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 38 9.956 1.669 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.727 3.242 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.460 3.090 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.506 4.523 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.214 3.083 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.906 4.288 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.580 2.663 0.852 1.00 0.00 H new ATOM 593 N LEU A 39 5.200 2.571 -2.605 1.00 0.00 N ATOM 594 CA LEU A 39 3.801 2.082 -2.599 1.00 0.00 C ATOM 595 C LEU A 39 3.281 1.432 -3.928 1.00 0.00 C ATOM 596 O LEU A 39 2.435 0.543 -3.849 1.00 0.00 O ATOM 597 CB LEU A 39 2.893 3.283 -2.230 1.00 0.00 C ATOM 598 CG LEU A 39 3.032 3.801 -0.784 1.00 0.00 C ATOM 599 CD1 LEU A 39 2.242 5.106 -0.637 1.00 0.00 C ATOM 600 CD2 LEU A 39 2.531 2.826 0.278 1.00 0.00 C ATOM 0 H LEU A 39 5.278 3.588 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 39 3.770 1.268 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.110 4.104 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.855 2.996 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 39 4.100 3.942 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.337 5.476 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.635 5.849 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.191 4.922 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.664 3.265 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.474 2.619 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.097 1.897 0.215 1.00 0.00 H new ATOM 612 N GLY A 40 3.741 1.888 -5.097 1.00 0.00 N ATOM 613 CA GLY A 40 3.415 1.285 -6.410 1.00 0.00 C ATOM 614 C GLY A 40 2.450 2.106 -7.281 1.00 0.00 C ATOM 615 O GLY A 40 1.312 1.687 -7.508 1.00 0.00 O ATOM 0 H GLY A 40 4.359 2.696 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.342 1.135 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.980 0.300 -6.242 1.00 0.00 H new ATOM 619 N THR A 41 2.881 3.287 -7.735 1.00 0.00 N ATOM 620 CA THR A 41 2.026 4.272 -8.475 1.00 0.00 C ATOM 621 C THR A 41 2.954 5.380 -9.101 1.00 0.00 C ATOM 622 O THR A 41 3.906 5.808 -8.438 1.00 0.00 O ATOM 623 CB THR A 41 0.959 4.887 -7.518 1.00 0.00 C ATOM 624 OG1 THR A 41 0.026 3.871 -7.170 1.00 0.00 O ATOM 625 CG2 THR A 41 0.114 6.033 -8.051 1.00 0.00 C ATOM 0 H THR A 41 3.841 3.607 -7.607 1.00 0.00 H new ATOM 0 HA THR A 41 1.487 3.772 -9.280 1.00 0.00 H new ATOM 0 HB THR A 41 1.558 5.290 -6.701 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.282 3.030 -7.603 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.583 6.360 -7.280 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.762 6.864 -8.330 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.444 5.698 -8.926 1.00 0.00 H new ATOM 633 N PRO A 42 2.702 5.925 -10.320 1.00 0.00 N ATOM 634 CA PRO A 42 3.375 7.182 -10.787 1.00 0.00 C ATOM 635 C PRO A 42 2.827 8.466 -10.094 1.00 0.00 C ATOM 636 O PRO A 42 1.614 8.662 -9.974 1.00 0.00 O ATOM 637 CB PRO A 42 3.079 7.142 -12.309 1.00 0.00 C ATOM 638 CG PRO A 42 1.698 6.450 -12.409 1.00 0.00 C ATOM 639 CD PRO A 42 1.737 5.383 -11.301 1.00 0.00 C ATOM 0 HA PRO A 42 4.437 7.225 -10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.054 8.144 -12.736 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.844 6.584 -12.849 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.884 7.158 -12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.546 6.001 -13.391 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.754 5.235 -10.854 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.061 4.417 -11.688 1.00 0.00 H new ATOM 647 N SER A 43 3.730 9.343 -9.643 1.00 0.00 N ATOM 648 CA SER A 43 3.364 10.583 -8.925 1.00 0.00 C ATOM 649 C SER A 43 2.889 11.749 -9.847 1.00 0.00 C ATOM 650 O SER A 43 2.784 11.627 -11.071 1.00 0.00 O ATOM 651 CB SER A 43 4.595 10.940 -8.040 1.00 0.00 C ATOM 652 OG SER A 43 5.734 11.351 -8.797 1.00 0.00 O ATOM 0 H SER A 43 4.736 9.220 -9.762 1.00 0.00 H new ATOM 0 HA SER A 43 2.479 10.417 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.319 11.737 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.863 10.074 -7.435 1.00 0.00 H new ATOM 0 HG SER A 43 5.888 12.309 -8.662 1.00 0.00 H new ATOM 658 N ILE A 44 2.596 12.885 -9.213 1.00 0.00 N ATOM 659 CA ILE A 44 1.958 14.059 -9.863 1.00 0.00 C ATOM 660 C ILE A 44 2.923 15.303 -9.917 1.00 0.00 C ATOM 661 O ILE A 44 2.906 16.132 -9.000 1.00 0.00 O ATOM 662 CB ILE A 44 0.551 14.415 -9.262 1.00 0.00 C ATOM 663 CG1 ILE A 44 0.520 14.633 -7.733 1.00 0.00 C ATOM 664 CG2 ILE A 44 -0.518 13.373 -9.671 1.00 0.00 C ATOM 665 CD1 ILE A 44 -0.698 15.427 -7.271 1.00 0.00 C ATOM 0 H ILE A 44 2.792 13.030 -8.223 1.00 0.00 H new ATOM 0 HA ILE A 44 1.766 13.762 -10.894 1.00 0.00 H new ATOM 0 HB ILE A 44 0.315 15.385 -9.700 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.527 13.665 -7.233 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.426 15.156 -7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.480 13.649 -9.238 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.603 13.346 -10.757 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.225 12.389 -9.306 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.664 15.548 -6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.694 16.408 -7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.607 14.893 -7.548 1.00 0.00 H new ATOM 677 N PRO A 45 3.756 15.507 -10.970 1.00 0.00 N ATOM 678 CA PRO A 45 4.555 16.765 -11.129 1.00 0.00 C ATOM 679 C PRO A 45 3.736 17.904 -11.797 1.00 0.00 C ATOM 680 O PRO A 45 3.847 18.151 -13.001 1.00 0.00 O ATOM 681 CB PRO A 45 5.757 16.239 -11.958 1.00 0.00 C ATOM 682 CG PRO A 45 5.157 15.133 -12.860 1.00 0.00 C ATOM 683 CD PRO A 45 4.075 14.481 -11.986 1.00 0.00 C ATOM 0 HA PRO A 45 4.864 17.246 -10.201 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.207 17.034 -12.552 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.540 15.842 -11.312 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.733 15.550 -13.774 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.915 14.410 -13.161 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.196 14.216 -12.573 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.437 13.563 -11.524 1.00 0.00 H new ATOM 691 N ASP A 46 2.907 18.588 -10.990 1.00 0.00 N ATOM 692 CA ASP A 46 1.923 19.576 -11.504 1.00 0.00 C ATOM 693 C ASP A 46 2.625 20.910 -11.949 1.00 0.00 C ATOM 694 O ASP A 46 3.193 21.587 -11.081 1.00 0.00 O ATOM 695 CB ASP A 46 0.783 19.899 -10.502 1.00 0.00 C ATOM 696 CG ASP A 46 0.151 18.747 -9.732 1.00 0.00 C ATOM 697 OD1 ASP A 46 -0.452 17.856 -10.364 1.00 0.00 O ATOM 698 OD2 ASP A 46 0.262 18.729 -8.483 1.00 0.00 O ATOM 0 H ASP A 46 2.893 18.479 -9.976 1.00 0.00 H new ATOM 0 HA ASP A 46 1.466 19.097 -12.370 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.172 20.612 -9.775 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.010 20.406 -11.052 1.00 0.00 H new ATOM 703 N PRO A 47 2.610 21.343 -13.240 1.00 0.00 N ATOM 704 CA PRO A 47 3.291 22.614 -13.666 1.00 0.00 C ATOM 705 C PRO A 47 2.672 23.967 -13.218 1.00 0.00 C ATOM 706 O PRO A 47 3.337 24.995 -13.350 1.00 0.00 O ATOM 707 CB PRO A 47 3.342 22.447 -15.208 1.00 0.00 C ATOM 708 CG PRO A 47 2.101 21.590 -15.546 1.00 0.00 C ATOM 709 CD PRO A 47 2.012 20.602 -14.370 1.00 0.00 C ATOM 0 HA PRO A 47 4.256 22.711 -13.168 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.307 23.412 -15.713 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.262 21.955 -15.524 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.202 22.201 -15.625 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.219 21.071 -16.497 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.980 20.320 -14.162 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.558 19.682 -14.579 1.00 0.00 H new ATOM 717 N PHE A 48 1.455 23.966 -12.647 1.00 0.00 N ATOM 718 CA PHE A 48 0.949 25.109 -11.839 1.00 0.00 C ATOM 719 C PHE A 48 1.637 25.179 -10.437 1.00 0.00 C ATOM 720 O PHE A 48 2.392 26.118 -10.178 1.00 0.00 O ATOM 721 CB PHE A 48 -0.595 24.983 -11.822 1.00 0.00 C ATOM 722 CG PHE A 48 -1.326 26.176 -11.190 1.00 0.00 C ATOM 723 CD1 PHE A 48 -1.593 27.332 -11.940 1.00 0.00 C ATOM 724 CD2 PHE A 48 -1.733 26.135 -9.846 1.00 0.00 C ATOM 725 CE1 PHE A 48 -2.247 28.421 -11.361 1.00 0.00 C ATOM 726 CE2 PHE A 48 -2.385 27.225 -9.267 1.00 0.00 C ATOM 727 CZ PHE A 48 -2.642 28.365 -10.025 1.00 0.00 C ATOM 0 H PHE A 48 0.797 23.190 -12.725 1.00 0.00 H new ATOM 0 HA PHE A 48 1.209 26.073 -12.276 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.948 24.858 -12.846 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.867 24.078 -11.279 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.289 27.379 -12.975 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.540 25.252 -9.255 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.447 29.306 -11.947 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.690 27.184 -8.232 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.148 29.207 -9.577 1.00 0.00 H new ATOM 737 N HIS A 49 1.388 24.193 -9.561 1.00 0.00 N ATOM 738 CA HIS A 49 2.146 24.016 -8.298 1.00 0.00 C ATOM 739 C HIS A 49 2.011 22.516 -7.892 1.00 0.00 C ATOM 740 O HIS A 49 0.892 22.053 -7.653 1.00 0.00 O ATOM 741 CB HIS A 49 1.593 24.967 -7.207 1.00 0.00 C ATOM 742 CG HIS A 49 2.493 25.066 -5.963 1.00 0.00 C ATOM 743 ND1 HIS A 49 3.424 26.070 -5.795 1.00 0.00 N ATOM 744 CD2 HIS A 49 2.537 24.193 -4.852 1.00 0.00 C ATOM 745 CE1 HIS A 49 3.953 25.720 -4.583 1.00 0.00 C ATOM 746 NE2 HIS A 49 3.499 24.597 -3.942 1.00 0.00 N ATOM 0 H HIS A 49 0.659 23.494 -9.702 1.00 0.00 H new ATOM 0 HA HIS A 49 3.199 24.268 -8.423 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.467 25.962 -7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.604 24.623 -6.904 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.904 23.326 -4.729 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.725 26.326 -4.133 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.785 24.181 -3.056 1.00 0.00 H new ATOM 754 N ALA A 50 3.132 21.783 -7.810 1.00 0.00 N ATOM 755 CA ALA A 50 3.111 20.326 -7.521 1.00 0.00 C ATOM 756 C ALA A 50 2.681 19.954 -6.071 1.00 0.00 C ATOM 757 O ALA A 50 3.411 20.194 -5.105 1.00 0.00 O ATOM 758 CB ALA A 50 4.503 19.809 -7.912 1.00 0.00 C ATOM 0 H ALA A 50 4.068 22.168 -7.938 1.00 0.00 H new ATOM 0 HA ALA A 50 2.331 19.836 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.559 18.737 -7.724 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.679 20.002 -8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.261 20.321 -7.319 1.00 0.00 H new ATOM 764 N GLN A 51 1.466 19.402 -5.944 1.00 0.00 N ATOM 765 CA GLN A 51 0.725 19.328 -4.648 1.00 0.00 C ATOM 766 C GLN A 51 0.580 17.871 -4.081 1.00 0.00 C ATOM 767 O GLN A 51 1.184 16.916 -4.575 1.00 0.00 O ATOM 768 CB GLN A 51 -0.666 19.984 -4.919 1.00 0.00 C ATOM 769 CG GLN A 51 -0.670 21.522 -4.862 1.00 0.00 C ATOM 770 CD GLN A 51 -1.934 22.114 -5.469 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.026 22.028 -4.911 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.832 22.692 -6.641 1.00 0.00 N ATOM 0 H GLN A 51 0.958 18.991 -6.727 1.00 0.00 H new ATOM 0 HA GLN A 51 1.282 19.852 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.017 19.669 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.381 19.604 -4.189 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.580 21.846 -3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.201 21.906 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.923 22.760 -7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.662 23.074 -7.095 1.00 0.00 H new ATOM 781 N ARG A 52 -0.242 17.735 -3.016 1.00 0.00 N ATOM 782 CA ARG A 52 -0.715 16.440 -2.471 1.00 0.00 C ATOM 783 C ARG A 52 -1.276 15.424 -3.509 1.00 0.00 C ATOM 784 O ARG A 52 -2.082 15.784 -4.373 1.00 0.00 O ATOM 785 CB ARG A 52 -1.730 16.734 -1.329 1.00 0.00 C ATOM 786 CG ARG A 52 -3.216 16.948 -1.625 1.00 0.00 C ATOM 787 CD ARG A 52 -3.602 18.125 -2.517 1.00 0.00 C ATOM 788 NE ARG A 52 -5.058 18.026 -2.777 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.735 18.734 -3.667 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.262 19.781 -4.299 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.949 18.344 -3.913 1.00 0.00 N ATOM 0 H ARG A 52 -0.603 18.538 -2.500 1.00 0.00 H new ATOM 0 HA ARG A 52 0.164 15.920 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.662 15.907 -0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.377 17.626 -0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.600 16.038 -2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.734 17.065 -0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.363 19.070 -2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.042 18.098 -3.452 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.585 17.353 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.310 20.100 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.846 20.277 -4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.331 17.531 -3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.520 18.850 -4.590 1.00 0.00 H new ATOM 805 N TRP A 53 -0.885 14.153 -3.375 1.00 0.00 N ATOM 806 CA TRP A 53 -1.397 13.056 -4.269 1.00 0.00 C ATOM 807 C TRP A 53 -2.787 12.606 -3.756 1.00 0.00 C ATOM 808 O TRP A 53 -2.879 11.798 -2.831 1.00 0.00 O ATOM 809 CB TRP A 53 -0.296 11.980 -4.322 1.00 0.00 C ATOM 810 CG TRP A 53 -0.585 10.535 -4.846 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.652 10.052 -5.663 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.090 9.374 -4.446 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.689 8.647 -5.710 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.629 8.247 -4.924 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.237 9.183 -3.614 1.00 0.00 C ATOM 816 CZ2 TRP A 53 -0.254 6.930 -4.498 1.00 0.00 C ATOM 817 CZ3 TRP A 53 1.576 7.895 -3.216 1.00 0.00 C ATOM 818 CH2 TRP A 53 0.834 6.780 -3.643 1.00 0.00 C ATOM 0 H TRP A 53 -0.221 13.838 -2.668 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.579 13.357 -5.301 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.510 12.383 -4.935 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.094 11.877 -3.309 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.349 10.691 -6.184 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.351 8.056 -6.213 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.832 10.028 -3.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.808 6.067 -4.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.426 7.748 -2.566 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.112 5.793 -3.303 1.00 0.00 H new ATOM 829 N ASP A 54 -3.842 13.181 -4.352 1.00 0.00 N ATOM 830 CA ASP A 54 -5.234 13.086 -3.820 1.00 0.00 C ATOM 831 C ASP A 54 -6.189 12.222 -4.718 1.00 0.00 C ATOM 832 O ASP A 54 -7.273 12.662 -5.115 1.00 0.00 O ATOM 833 CB ASP A 54 -5.711 14.562 -3.708 1.00 0.00 C ATOM 834 CG ASP A 54 -6.712 14.869 -2.605 1.00 0.00 C ATOM 835 OD1 ASP A 54 -7.149 13.957 -1.869 1.00 0.00 O ATOM 836 OD2 ASP A 54 -7.017 16.073 -2.433 1.00 0.00 O ATOM 0 H ASP A 54 -3.769 13.725 -5.212 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.253 12.568 -2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.835 15.193 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.154 14.851 -4.661 1.00 0.00 H new ATOM 841 N TYR A 55 -5.765 10.996 -5.071 1.00 0.00 N ATOM 842 CA TYR A 55 -6.380 10.247 -6.199 1.00 0.00 C ATOM 843 C TYR A 55 -6.583 8.747 -5.845 1.00 0.00 C ATOM 844 O TYR A 55 -5.662 8.077 -5.362 1.00 0.00 O ATOM 845 CB TYR A 55 -5.477 10.348 -7.471 1.00 0.00 C ATOM 846 CG TYR A 55 -5.465 11.739 -8.122 1.00 0.00 C ATOM 847 CD1 TYR A 55 -6.497 12.138 -8.986 1.00 0.00 C ATOM 848 CD2 TYR A 55 -4.456 12.660 -7.807 1.00 0.00 C ATOM 849 CE1 TYR A 55 -6.529 13.437 -9.502 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.501 13.960 -8.307 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.533 14.349 -9.156 1.00 0.00 C ATOM 852 OH TYR A 55 -5.570 15.625 -9.633 1.00 0.00 O ATOM 0 H TYR A 55 -5.007 10.500 -4.602 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.354 10.696 -6.394 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.456 10.076 -7.202 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.818 9.618 -8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.272 11.436 -9.254 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.636 12.359 -7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.325 13.734 -10.169 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.732 14.668 -8.035 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.799 16.125 -9.291 1.00 0.00 H new ATOM 862 N THR A 56 -7.751 8.197 -6.215 1.00 0.00 N ATOM 863 CA THR A 56 -8.034 6.735 -6.122 1.00 0.00 C ATOM 864 C THR A 56 -7.189 5.951 -7.183 1.00 0.00 C ATOM 865 O THR A 56 -7.504 5.930 -8.375 1.00 0.00 O ATOM 866 CB THR A 56 -9.568 6.496 -6.278 1.00 0.00 C ATOM 867 OG1 THR A 56 -10.335 7.353 -5.431 1.00 0.00 O ATOM 868 CG2 THR A 56 -9.997 5.070 -5.942 1.00 0.00 C ATOM 0 H THR A 56 -8.530 8.741 -6.587 1.00 0.00 H new ATOM 0 HA THR A 56 -7.738 6.355 -5.144 1.00 0.00 H new ATOM 0 HB THR A 56 -9.758 6.705 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.032 7.253 -4.504 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.075 4.974 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.488 4.371 -6.606 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.735 4.845 -4.908 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.637 2.083 -4.233 1.00 0.00 N ATOM 1096 CA LYS A 70 -5.028 3.042 -3.284 1.00 0.00 C ATOM 1097 C LYS A 70 -5.905 4.335 -3.241 1.00 0.00 C ATOM 1098 O LYS A 70 -5.626 5.332 -3.917 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.599 3.405 -3.759 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.546 2.291 -3.685 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.327 2.695 -4.528 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.234 1.631 -4.603 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.576 0.499 -5.507 1.00 0.00 N ATOM 0 HA LYS A 70 -4.974 2.596 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.660 3.748 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.246 4.247 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.248 2.123 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.964 1.354 -4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.660 2.928 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.900 3.609 -4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.691 2.094 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.045 1.243 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.307 -0.399 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.599 0.500 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.061 0.604 -6.404 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.945 4.327 -2.408 1.00 0.00 N ATOM 1118 CA ASN A 71 -7.718 5.564 -2.085 1.00 0.00 C ATOM 1119 C ASN A 71 -7.025 6.374 -0.939 1.00 0.00 C ATOM 1120 O ASN A 71 -7.417 6.340 0.229 1.00 0.00 O ATOM 1121 CB ASN A 71 -9.163 5.109 -1.799 1.00 0.00 C ATOM 1122 CG ASN A 71 -10.178 6.235 -1.867 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -10.452 6.775 -2.936 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -10.761 6.622 -0.760 1.00 0.00 N ATOM 0 H ASN A 71 -7.285 3.489 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.745 6.276 -2.910 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.441 4.337 -2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.203 4.654 -0.809 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.447 7.376 -0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.529 6.169 0.124 1.00 0.00 H new ATOM 1131 N PHE A 72 -5.934 7.056 -1.310 1.00 0.00 N ATOM 1132 CA PHE A 72 -4.856 7.440 -0.356 1.00 0.00 C ATOM 1133 C PHE A 72 -4.438 8.901 -0.655 1.00 0.00 C ATOM 1134 O PHE A 72 -3.694 9.160 -1.606 1.00 0.00 O ATOM 1135 CB PHE A 72 -3.737 6.384 -0.579 1.00 0.00 C ATOM 1136 CG PHE A 72 -2.484 6.483 0.296 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -2.384 5.784 1.511 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -1.359 7.181 -0.170 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -1.183 5.763 2.225 1.00 0.00 C ATOM 1140 CE2 PHE A 72 -0.164 7.166 0.549 1.00 0.00 C ATOM 1141 CZ PHE A 72 -0.073 6.443 1.736 1.00 0.00 C ATOM 0 H PHE A 72 -5.763 7.360 -2.268 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.142 7.433 0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.173 5.396 -0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.424 6.441 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.244 5.258 1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.419 7.735 -1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.117 5.219 3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.692 7.715 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.861 6.410 2.277 1.00 0.00 H new ATOM 1151 N THR A 73 -4.911 9.850 0.168 1.00 0.00 N ATOM 1152 CA THR A 73 -4.487 11.272 0.073 1.00 0.00 C ATOM 1153 C THR A 73 -3.203 11.474 0.925 1.00 0.00 C ATOM 1154 O THR A 73 -3.238 11.393 2.156 1.00 0.00 O ATOM 1155 CB THR A 73 -5.627 12.233 0.508 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.740 12.078 -0.362 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.236 13.707 0.413 1.00 0.00 C ATOM 0 H THR A 73 -5.587 9.667 0.909 1.00 0.00 H new ATOM 0 HA THR A 73 -4.262 11.514 -0.966 1.00 0.00 H new ATOM 0 HB THR A 73 -5.851 11.976 1.543 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.106 12.959 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.074 14.327 0.730 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.379 13.898 1.058 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.976 13.949 -0.617 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.084 11.758 0.258 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.777 12.002 0.937 1.00 0.00 C ATOM 1167 C VAL A 74 -0.256 13.427 0.620 1.00 0.00 C ATOM 1168 O VAL A 74 -0.183 13.853 -0.537 1.00 0.00 O ATOM 1169 CB VAL A 74 0.217 10.839 0.687 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.529 10.548 -0.777 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.560 11.024 1.423 1.00 0.00 C ATOM 0 H VAL A 74 -2.040 11.829 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.911 11.995 2.019 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.328 9.986 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.233 9.718 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.391 10.285 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.968 11.433 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.212 10.178 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.036 11.944 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.382 11.081 2.497 1.00 0.00 H new ATOM 1181 N PHE A 75 0.088 14.156 1.687 1.00 0.00 N ATOM 1182 CA PHE A 75 0.305 15.616 1.642 1.00 0.00 C ATOM 1183 C PHE A 75 1.799 15.977 1.478 1.00 0.00 C ATOM 1184 O PHE A 75 2.668 15.452 2.180 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.288 16.262 2.924 1.00 0.00 C ATOM 1186 CG PHE A 75 -1.827 16.271 2.950 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.549 17.285 2.301 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.535 15.240 3.586 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -3.945 17.270 2.293 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -3.930 15.225 3.577 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.633 16.243 2.935 1.00 0.00 C ATOM 0 H PHE A 75 0.226 13.753 2.614 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.207 16.013 0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.079 15.722 3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.075 17.286 3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.020 18.084 1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.995 14.450 4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.491 18.054 1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.465 14.425 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.713 16.236 2.935 1.00 0.00 H new ATOM 1201 N PHE A 76 2.065 16.900 0.553 1.00 0.00 N ATOM 1202 CA PHE A 76 3.434 17.369 0.238 1.00 0.00 C ATOM 1203 C PHE A 76 3.477 18.925 0.346 1.00 0.00 C ATOM 1204 O PHE A 76 2.535 19.608 -0.072 1.00 0.00 O ATOM 1205 CB PHE A 76 3.879 16.924 -1.183 1.00 0.00 C ATOM 1206 CG PHE A 76 3.787 15.415 -1.459 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.623 14.491 -0.815 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.784 14.932 -2.305 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.423 13.121 -0.984 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.595 13.565 -2.484 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.406 12.659 -1.815 1.00 0.00 C ATOM 0 H PHE A 76 1.341 17.351 -0.006 1.00 0.00 H new ATOM 0 HA PHE A 76 4.125 16.923 0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.268 17.449 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.910 17.243 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.426 14.842 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.147 15.630 -2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.059 12.416 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.817 13.209 -3.143 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.249 11.598 -1.939 1.00 0.00 H new ATOM 1221 N GLU A 77 4.580 19.479 0.870 1.00 0.00 N ATOM 1222 CA GLU A 77 4.781 20.964 0.939 1.00 0.00 C ATOM 1223 C GLU A 77 4.911 21.600 -0.485 1.00 0.00 C ATOM 1224 O GLU A 77 3.997 22.278 -0.957 1.00 0.00 O ATOM 1225 CB GLU A 77 5.985 21.166 1.884 1.00 0.00 C ATOM 1226 CG GLU A 77 6.380 22.625 2.163 1.00 0.00 C ATOM 1227 CD GLU A 77 7.682 22.718 2.944 1.00 0.00 C ATOM 1228 OE1 GLU A 77 8.756 22.500 2.341 1.00 0.00 O ATOM 1229 OE2 GLU A 77 7.642 22.990 4.160 1.00 0.00 O ATOM 0 H GLU A 77 5.354 18.937 1.255 1.00 0.00 H new ATOM 0 HA GLU A 77 3.921 21.498 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.762 20.682 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.847 20.651 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.483 23.161 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.584 23.116 2.723 1.00 0.00 H new ATOM 1236 N ASN A 78 5.997 21.265 -1.190 1.00 0.00 N ATOM 1237 CA ASN A 78 5.930 20.991 -2.652 1.00 0.00 C ATOM 1238 C ASN A 78 6.360 19.507 -2.889 1.00 0.00 C ATOM 1239 O ASN A 78 5.538 18.711 -3.345 1.00 0.00 O ATOM 1240 CB ASN A 78 6.735 22.057 -3.420 1.00 0.00 C ATOM 1241 CG ASN A 78 6.607 21.954 -4.934 1.00 0.00 C ATOM 1242 OD1 ASN A 78 7.271 21.156 -5.587 1.00 0.00 O ATOM 1243 ND2 ASN A 78 5.748 22.728 -5.548 1.00 0.00 N ATOM 0 H ASN A 78 6.930 21.174 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 78 4.919 21.079 -3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.404 23.046 -3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.787 21.970 -3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.636 22.664 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.191 23.395 -5.015 1.00 0.00 H new ATOM 1250 N GLU A 79 7.606 19.140 -2.546 1.00 0.00 N ATOM 1251 CA GLU A 79 8.065 17.731 -2.531 1.00 0.00 C ATOM 1252 C GLU A 79 8.020 17.033 -1.136 1.00 0.00 C ATOM 1253 O GLU A 79 7.639 15.861 -1.090 1.00 0.00 O ATOM 1254 CB GLU A 79 9.490 17.645 -3.146 1.00 0.00 C ATOM 1255 CG GLU A 79 9.537 17.620 -4.687 1.00 0.00 C ATOM 1256 CD GLU A 79 8.830 16.442 -5.336 1.00 0.00 C ATOM 1257 OE1 GLU A 79 9.159 15.274 -5.032 1.00 0.00 O ATOM 1258 OE2 GLU A 79 7.895 16.683 -6.126 1.00 0.00 O ATOM 0 H GLU A 79 8.327 19.807 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 79 7.348 17.176 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.073 18.496 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.978 16.747 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.093 18.542 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.580 17.616 -5.003 1.00 0.00 H new ATOM 1265 N GLN A 80 8.426 17.686 -0.027 1.00 0.00 N ATOM 1266 CA GLN A 80 8.623 16.980 1.267 1.00 0.00 C ATOM 1267 C GLN A 80 7.308 16.544 1.963 1.00 0.00 C ATOM 1268 O GLN A 80 6.341 17.309 2.034 1.00 0.00 O ATOM 1269 CB GLN A 80 9.606 17.715 2.201 1.00 0.00 C ATOM 1270 CG GLN A 80 9.163 19.055 2.813 1.00 0.00 C ATOM 1271 CD GLN A 80 10.147 19.594 3.854 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.676 18.877 4.699 1.00 0.00 O ATOM 1273 NE2 GLN A 80 10.409 20.877 3.867 1.00 0.00 N ATOM 0 H GLN A 80 8.623 18.686 0.005 1.00 0.00 H new ATOM 0 HA GLN A 80 9.106 16.038 1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.854 17.041 3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.526 17.891 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.047 19.790 2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.185 18.930 3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.981 21.492 3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.041 21.261 4.569 1.00 0.00 H new ATOM 1282 N VAL A 81 7.279 15.290 2.438 1.00 0.00 N ATOM 1283 CA VAL A 81 6.011 14.623 2.840 1.00 0.00 C ATOM 1284 C VAL A 81 5.584 15.050 4.286 1.00 0.00 C ATOM 1285 O VAL A 81 6.360 14.933 5.239 1.00 0.00 O ATOM 1286 CB VAL A 81 6.072 13.056 2.742 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.643 12.467 2.671 1.00 0.00 C ATOM 1288 CG2 VAL A 81 6.903 12.476 1.584 1.00 0.00 C ATOM 0 H VAL A 81 8.110 14.711 2.557 1.00 0.00 H new ATOM 0 HA VAL A 81 5.261 14.959 2.124 1.00 0.00 H new ATOM 0 HB VAL A 81 6.594 12.760 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.700 11.381 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.089 12.746 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.131 12.859 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.869 11.387 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.493 12.819 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.937 12.810 1.675 1.00 0.00 H new ATOM 1298 N VAL A 82 4.335 15.501 4.420 1.00 0.00 N ATOM 1299 CA VAL A 82 3.745 15.921 5.723 1.00 0.00 C ATOM 1300 C VAL A 82 3.040 14.700 6.403 1.00 0.00 C ATOM 1301 O VAL A 82 3.507 14.256 7.454 1.00 0.00 O ATOM 1302 CB VAL A 82 2.836 17.181 5.529 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.178 17.659 6.842 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.608 18.398 4.957 1.00 0.00 C ATOM 0 H VAL A 82 3.691 15.591 3.634 1.00 0.00 H new ATOM 0 HA VAL A 82 4.525 16.237 6.415 1.00 0.00 H new ATOM 0 HB VAL A 82 2.076 16.844 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.561 18.535 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.556 16.862 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.953 17.918 7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.926 19.241 4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.413 18.671 5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.028 18.138 3.985 1.00 0.00 H new ATOM 1314 N ARG A 83 1.941 14.166 5.830 1.00 0.00 N ATOM 1315 CA ARG A 83 1.283 12.936 6.346 1.00 0.00 C ATOM 1316 C ARG A 83 0.423 12.202 5.258 1.00 0.00 C ATOM 1317 O ARG A 83 0.024 12.790 4.248 1.00 0.00 O ATOM 1318 CB ARG A 83 0.483 13.198 7.655 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.832 13.993 7.526 1.00 0.00 C ATOM 1320 CD ARG A 83 -1.824 13.763 8.683 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.356 12.374 8.630 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.631 12.010 8.629 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -4.635 12.835 8.795 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.893 10.753 8.431 1.00 0.00 N ATOM 0 H ARG A 83 1.486 14.564 5.008 1.00 0.00 H new ATOM 0 HA ARG A 83 2.089 12.250 6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.253 12.234 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.134 13.730 8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.597 15.056 7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.316 13.723 6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.327 13.935 9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.644 14.478 8.617 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.667 11.623 8.590 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.460 13.830 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.592 12.483 8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.132 10.090 8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.860 10.429 8.422 1.00 0.00 H new ATOM 1338 N TRP A 84 0.106 10.927 5.520 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.778 10.094 4.664 1.00 0.00 C ATOM 1340 C TRP A 84 -2.151 9.757 5.342 1.00 0.00 C ATOM 1341 O TRP A 84 -2.215 9.471 6.543 1.00 0.00 O ATOM 1342 CB TRP A 84 -0.059 8.838 4.133 1.00 0.00 C ATOM 1343 CG TRP A 84 0.951 8.055 5.014 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.689 6.912 5.813 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.339 8.242 5.103 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.859 6.403 6.405 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.866 7.229 5.948 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.224 9.186 4.483 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.273 7.150 6.174 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.590 9.082 4.720 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.108 8.077 5.555 1.00 0.00 C ATOM 0 H TRP A 84 0.455 10.431 6.340 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.021 10.707 3.796 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.833 8.132 3.832 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.471 9.134 3.228 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.293 6.483 5.950 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.944 5.603 7.032 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.836 9.964 3.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.684 6.384 6.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.265 9.785 4.255 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.174 8.023 5.720 1.00 0.00 H new ATOM 1362 N GLU A 85 -3.229 9.807 4.539 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.633 9.677 5.009 1.00 0.00 C ATOM 1364 C GLU A 85 -5.473 8.825 3.996 1.00 0.00 C ATOM 1365 O GLU A 85 -5.615 9.197 2.827 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.213 11.123 5.111 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.631 11.256 5.700 1.00 0.00 C ATOM 1368 CD GLU A 85 -6.754 11.048 7.190 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -6.414 9.962 7.697 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -7.153 11.982 7.919 1.00 0.00 O ATOM 0 H GLU A 85 -3.156 9.940 3.530 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.673 9.171 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.534 11.721 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.216 11.560 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.010 12.249 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.279 10.537 5.199 1.00 0.00 H new ATOM 1377 N GLY A 86 -6.087 7.730 4.466 1.00 0.00 N ATOM 1378 CA GLY A 86 -7.183 7.062 3.721 1.00 0.00 C ATOM 1379 C GLY A 86 -7.266 5.534 3.874 1.00 0.00 C ATOM 1380 O GLY A 86 -7.293 5.008 4.990 1.00 0.00 O ATOM 0 H GLY A 86 -5.851 7.284 5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.131 7.492 4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.072 7.296 2.662 1.00 0.00 H new ATOM 1384 N ASP A 87 -7.384 4.845 2.735 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.778 3.412 2.666 1.00 0.00 C ATOM 1386 C ASP A 87 -7.183 2.737 1.388 1.00 0.00 C ATOM 1387 O ASP A 87 -7.022 3.369 0.340 1.00 0.00 O ATOM 1388 CB ASP A 87 -9.314 3.251 2.765 1.00 0.00 C ATOM 1389 CG ASP A 87 -10.159 3.803 1.625 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -10.221 5.038 1.452 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -10.787 3.006 0.896 1.00 0.00 O ATOM 0 H ASP A 87 -7.210 5.259 1.819 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.356 2.892 3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.534 2.188 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.642 3.729 3.688 1.00 0.00 H new ATOM 1396 N TYR A 88 -6.836 1.445 1.461 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.153 0.744 0.333 1.00 0.00 C ATOM 1398 C TYR A 88 -6.396 -0.798 0.300 1.00 0.00 C ATOM 1399 O TYR A 88 -7.004 -1.376 1.204 1.00 0.00 O ATOM 1400 CB TYR A 88 -4.665 1.185 0.239 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.736 1.042 1.448 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -3.655 -0.123 2.236 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -2.866 2.099 1.731 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -2.730 -0.212 3.279 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.933 2.005 2.763 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.870 0.852 3.541 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.948 0.745 4.534 1.00 0.00 O ATOM 0 H TYR A 88 -7.009 0.857 2.276 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.626 1.067 -0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.215 0.626 -0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.658 2.236 -0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.314 -0.954 2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.917 3.002 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.682 -1.106 3.883 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.259 2.826 2.959 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.740 -0.200 4.687 1.00 0.00 H new ATOM 1667 N GLY A 105 -13.717 10.150 1.339 1.00 0.00 N ATOM 1668 CA GLY A 105 -14.261 10.812 0.131 1.00 0.00 C ATOM 1669 C GLY A 105 -15.659 10.336 -0.301 1.00 0.00 C ATOM 1670 O GLY A 105 -15.796 9.587 -1.269 1.00 0.00 O ATOM 0 HA2 GLY A 105 -14.300 11.886 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -13.568 10.652 -0.695 1.00 0.00 H new ATOM 1674 N ARG A 106 -16.681 10.787 0.436 1.00 0.00 N ATOM 1675 CA ARG A 106 -18.084 10.336 0.246 1.00 0.00 C ATOM 1676 C ARG A 106 -19.035 11.522 0.561 1.00 0.00 C ATOM 1677 O ARG A 106 -19.386 11.769 1.720 1.00 0.00 O ATOM 1678 CB ARG A 106 -18.296 9.082 1.136 1.00 0.00 C ATOM 1679 CG ARG A 106 -19.702 8.464 1.062 1.00 0.00 C ATOM 1680 CD ARG A 106 -19.820 7.114 1.793 1.00 0.00 C ATOM 1681 NE ARG A 106 -19.403 5.978 0.931 1.00 0.00 N ATOM 1682 CZ ARG A 106 -18.242 5.332 0.989 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -17.272 5.619 1.818 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -18.050 4.349 0.162 1.00 0.00 N ATOM 0 H ARG A 106 -16.570 11.474 1.182 1.00 0.00 H new ATOM 0 HA ARG A 106 -18.305 10.041 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -17.567 8.324 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -18.087 9.350 2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -20.420 9.163 1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -19.975 8.326 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -19.204 7.133 2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -20.850 6.965 2.116 1.00 0.00 H new ATOM 0 HE ARG A 106 -20.071 5.663 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -17.378 6.386 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -16.409 5.075 1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -18.778 4.094 -0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -17.171 3.832 0.179 1.00 0.00 H new ATOM 1698 N ASN A 107 -19.471 12.243 -0.484 1.00 0.00 N ATOM 1699 CA ASN A 107 -20.338 13.442 -0.321 1.00 0.00 C ATOM 1700 C ASN A 107 -21.842 13.036 -0.188 1.00 0.00 C ATOM 1701 O ASN A 107 -22.583 12.955 -1.173 1.00 0.00 O ATOM 1702 CB ASN A 107 -20.113 14.418 -1.507 1.00 0.00 C ATOM 1703 CG ASN A 107 -18.760 15.119 -1.495 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -18.436 15.875 -0.587 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -17.930 14.913 -2.488 1.00 0.00 N ATOM 0 H ASN A 107 -19.243 12.024 -1.454 1.00 0.00 H new ATOM 0 HA ASN A 107 -20.063 13.953 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -20.214 13.865 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -20.900 15.172 -1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -17.023 15.380 -2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -18.191 14.285 -3.249 1.00 0.00 H new ATOM 1712 N LEU A 108 -22.275 12.781 1.058 1.00 0.00 N ATOM 1713 CA LEU A 108 -23.646 12.276 1.344 1.00 0.00 C ATOM 1714 C LEU A 108 -24.679 13.437 1.434 1.00 0.00 C ATOM 1715 O LEU A 108 -24.990 13.957 2.514 1.00 0.00 O ATOM 1716 CB LEU A 108 -23.536 11.394 2.614 1.00 0.00 C ATOM 1717 CG LEU A 108 -24.823 10.666 3.065 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -25.301 9.615 2.056 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -24.570 9.976 4.419 1.00 0.00 C ATOM 0 H LEU A 108 -21.701 12.914 1.891 1.00 0.00 H new ATOM 0 HA LEU A 108 -24.036 11.663 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -22.763 10.645 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -23.194 12.022 3.436 1.00 0.00 H new ATOM 0 HG LEU A 108 -25.604 11.422 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -26.208 9.139 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -25.510 10.096 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -24.525 8.862 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -25.476 9.462 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -23.760 9.254 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -24.295 10.724 5.163 1.00 0.00 H new ATOM 1731 N ALA A 109 -25.220 13.807 0.268 1.00 0.00 N ATOM 1732 CA ALA A 109 -26.261 14.836 0.133 1.00 0.00 C ATOM 1733 C ALA A 109 -27.664 14.349 0.590 1.00 0.00 C ATOM 1734 O ALA A 109 -28.077 13.202 0.398 1.00 0.00 O ATOM 1735 CB ALA A 109 -26.274 15.264 -1.343 1.00 0.00 C ATOM 0 H ALA A 109 -24.944 13.395 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 109 -26.029 15.675 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -27.035 16.030 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -25.297 15.664 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -26.499 14.401 -1.970 1.00 0.00 H new ATOM 1741 N ARG A 110 -28.350 15.282 1.238 1.00 0.00 N ATOM 1742 CA ARG A 110 -29.640 15.031 1.929 1.00 0.00 C ATOM 1743 C ARG A 110 -30.584 16.262 1.833 1.00 0.00 C ATOM 1744 O ARG A 110 -30.201 17.378 2.200 1.00 0.00 O ATOM 1745 CB ARG A 110 -29.375 14.558 3.386 1.00 0.00 C ATOM 1746 CG ARG A 110 -28.763 15.591 4.352 1.00 0.00 C ATOM 1747 CD ARG A 110 -27.983 14.981 5.526 1.00 0.00 C ATOM 1748 NE ARG A 110 -26.651 14.511 5.063 1.00 0.00 N ATOM 1749 CZ ARG A 110 -25.629 14.196 5.849 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -25.691 14.176 7.156 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -24.503 13.892 5.280 1.00 0.00 N ATOM 0 H ARG A 110 -28.036 16.250 1.308 1.00 0.00 H new ATOM 0 HA ARG A 110 -30.171 14.224 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -30.319 14.215 3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -28.711 13.694 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -28.096 16.245 3.790 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -29.562 16.216 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -27.862 15.722 6.316 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -28.543 14.149 5.952 1.00 0.00 H new ATOM 0 HE ARG A 110 -26.511 14.423 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -26.563 14.412 7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -24.867 13.925 7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -24.427 13.901 4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -23.694 13.644 5.850 1.00 0.00 H new ATOM 1765 N ASP A 111 -31.813 16.051 1.349 1.00 0.00 N ATOM 1766 CA ASP A 111 -32.821 17.129 1.193 1.00 0.00 C ATOM 1767 C ASP A 111 -33.632 17.464 2.488 1.00 0.00 C ATOM 1768 O ASP A 111 -33.527 16.807 3.530 1.00 0.00 O ATOM 1769 CB ASP A 111 -33.696 16.770 -0.040 1.00 0.00 C ATOM 1770 CG ASP A 111 -34.684 15.617 0.101 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -35.612 15.716 0.935 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -34.564 14.626 -0.648 1.00 0.00 O ATOM 0 H ASP A 111 -32.146 15.134 1.052 1.00 0.00 H new ATOM 0 HA ASP A 111 -32.309 18.075 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -34.258 17.660 -0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -33.027 16.539 -0.869 1.00 0.00 H new ATOM 1777 N LYS A 112 -34.502 18.483 2.382 1.00 0.00 N ATOM 1778 CA LYS A 112 -35.725 18.551 3.232 1.00 0.00 C ATOM 1779 C LYS A 112 -36.967 18.840 2.330 1.00 0.00 C ATOM 1780 O LYS A 112 -37.501 19.953 2.299 1.00 0.00 O ATOM 1781 CB LYS A 112 -35.476 19.581 4.355 1.00 0.00 C ATOM 1782 CG LYS A 112 -36.491 19.576 5.515 1.00 0.00 C ATOM 1783 CD LYS A 112 -36.349 18.349 6.437 1.00 0.00 C ATOM 1784 CE LYS A 112 -37.297 18.422 7.643 1.00 0.00 C ATOM 1785 NZ LYS A 112 -37.101 17.216 8.496 1.00 0.00 N ATOM 0 H LYS A 112 -34.394 19.262 1.732 1.00 0.00 H new ATOM 0 HA LYS A 112 -35.944 17.604 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -34.482 19.406 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -35.466 20.577 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -36.364 20.483 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -37.501 19.601 5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -36.555 17.442 5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -35.320 18.277 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -37.101 19.326 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -38.332 18.478 7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -37.741 17.262 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -37.308 16.361 7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -36.116 17.182 8.829 1.00 0.00 H new