USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 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 -58:sc= 1.16 USER MOD Set 1.2: A 71 ASN : amide:sc= 2.19 K(o=3.4,f=-1.8!) USER MOD Set 2.1: A 33 GLN : amide:sc= 1.06 K(o=2.3,f=1.6) USER MOD Set 2.2: A 43 SER OG : rot 154:sc= 1.19 USER MOD Set 3.1: A 31 SER OG : rot -6:sc= 1.03 USER MOD Set 3.2: A 34 GLN : amide:sc= 0 X(o=1,f=0.89) USER MOD Set 4.1: A 21 ASN : amide:sc= 0 X(o=0,f=0.0011) USER MOD Set 4.2: A 25 GLN : amide:sc= 0 X(o=0,f=0.0011) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 1.16 K(o=1.2,f=-0.055) USER MOD Single : A 32 LYS NZ :NH3+ -139:sc= 0.235 (180deg=-0.351) USER MOD Single : A 36 SER OG : rot -92:sc= 1.12 USER MOD Single : A 41 THR OG1 : rot -7:sc= 0.778 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.141 K(o=0.14,f=-1.8) USER MOD Single : A 55 TYR OH : rot 109:sc= 1.1 USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 1.07 (180deg=1.04) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 2 K(o=2,f=-2.5!) USER MOD Single : A 80 GLN : amide:sc= 2.02 K(o=2,f=-8.2!) USER MOD Single : A 88 TYR OH : rot 89:sc= 0.963 USER MOD Single : A 107 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.2!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 4.372 -1.525 -0.933 1.00 0.00 N ATOM 265 CA ILE A 18 3.054 -1.351 -0.229 1.00 0.00 C ATOM 266 C ILE A 18 2.999 -2.311 0.996 1.00 0.00 C ATOM 267 O ILE A 18 3.133 -3.529 0.839 1.00 0.00 O ATOM 268 CB ILE A 18 1.886 -1.616 -1.247 1.00 0.00 C ATOM 269 CG1 ILE A 18 1.744 -0.475 -2.291 1.00 0.00 C ATOM 270 CG2 ILE A 18 0.502 -1.921 -0.624 1.00 0.00 C ATOM 271 CD1 ILE A 18 1.103 0.829 -1.818 1.00 0.00 C ATOM 0 HA ILE A 18 2.943 -0.332 0.143 1.00 0.00 H new ATOM 0 HB ILE A 18 2.202 -2.536 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.737 -0.243 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.159 -0.855 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.226 -2.087 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.571 -2.814 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.185 -1.077 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.066 1.538 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.091 0.630 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.694 1.251 -1.005 1.00 0.00 H new ATOM 283 N LYS A 19 2.733 -1.764 2.193 1.00 0.00 N ATOM 284 CA LYS A 19 2.477 -2.569 3.410 1.00 0.00 C ATOM 285 C LYS A 19 1.712 -1.719 4.479 1.00 0.00 C ATOM 286 O LYS A 19 2.024 -0.551 4.727 1.00 0.00 O ATOM 287 CB LYS A 19 3.808 -3.190 3.933 1.00 0.00 C ATOM 288 CG LYS A 19 3.586 -4.099 5.144 1.00 0.00 C ATOM 289 CD LYS A 19 4.691 -5.077 5.540 1.00 0.00 C ATOM 290 CE LYS A 19 4.780 -6.300 4.616 1.00 0.00 C ATOM 291 NZ LYS A 19 5.832 -7.230 5.099 1.00 0.00 N ATOM 0 H LYS A 19 2.688 -0.757 2.350 1.00 0.00 H new ATOM 0 HA LYS A 19 1.822 -3.407 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.279 -3.762 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.498 -2.391 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.386 -3.460 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.682 -4.679 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.648 -4.555 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.519 -5.414 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.818 -6.812 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.005 -5.981 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.884 -8.054 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.750 -6.742 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.600 -7.547 6.062 1.00 0.00 H new ATOM 305 N GLN A 20 0.733 -2.345 5.145 1.00 0.00 N ATOM 306 CA GLN A 20 -0.001 -1.747 6.301 1.00 0.00 C ATOM 307 C GLN A 20 0.823 -1.439 7.588 1.00 0.00 C ATOM 308 O GLN A 20 0.519 -0.438 8.233 1.00 0.00 O ATOM 309 CB GLN A 20 -1.269 -2.608 6.520 1.00 0.00 C ATOM 310 CG GLN A 20 -2.274 -2.057 7.555 1.00 0.00 C ATOM 311 CD GLN A 20 -3.691 -2.587 7.376 1.00 0.00 C ATOM 312 OE1 GLN A 20 -4.549 -1.920 6.804 1.00 0.00 O ATOM 313 NE2 GLN A 20 -3.994 -3.783 7.820 1.00 0.00 N ATOM 0 H GLN A 20 0.416 -3.285 4.907 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.272 -0.724 6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.782 -2.719 5.564 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.961 -3.605 6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.925 -2.309 8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.291 -0.969 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.288 -4.344 8.296 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.936 -4.152 7.689 1.00 0.00 H new ATOM 322 N ASN A 21 1.857 -2.221 7.940 1.00 0.00 N ATOM 323 CA ASN A 21 2.837 -1.833 8.998 1.00 0.00 C ATOM 324 C ASN A 21 3.940 -0.889 8.463 1.00 0.00 C ATOM 325 O ASN A 21 3.975 0.266 8.879 1.00 0.00 O ATOM 326 CB ASN A 21 3.364 -3.119 9.678 1.00 0.00 C ATOM 327 CG ASN A 21 4.516 -2.961 10.666 1.00 0.00 C ATOM 328 OD1 ASN A 21 4.577 -2.034 11.466 1.00 0.00 O ATOM 329 ND2 ASN A 21 5.481 -3.848 10.633 1.00 0.00 N ATOM 0 H ASN A 21 2.046 -3.128 7.514 1.00 0.00 H new ATOM 0 HA ASN A 21 2.343 -1.235 9.763 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.532 -3.590 10.201 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.681 -3.809 8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.274 -3.763 11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.439 -4.623 9.971 1.00 0.00 H new ATOM 336 N ALA A 22 4.845 -1.364 7.597 1.00 0.00 N ATOM 337 CA ALA A 22 6.053 -0.603 7.198 1.00 0.00 C ATOM 338 C ALA A 22 5.830 0.804 6.588 1.00 0.00 C ATOM 339 O ALA A 22 6.550 1.735 6.949 1.00 0.00 O ATOM 340 CB ALA A 22 6.822 -1.539 6.269 1.00 0.00 C ATOM 0 H ALA A 22 4.769 -2.279 7.152 1.00 0.00 H new ATOM 0 HA ALA A 22 6.610 -0.335 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.733 -1.047 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.081 -2.452 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.201 -1.788 5.408 1.00 0.00 H new ATOM 346 N VAL A 23 4.803 0.982 5.746 1.00 0.00 N ATOM 347 CA VAL A 23 4.388 2.332 5.273 1.00 0.00 C ATOM 348 C VAL A 23 3.696 3.192 6.384 1.00 0.00 C ATOM 349 O VAL A 23 4.030 4.371 6.488 1.00 0.00 O ATOM 350 CB VAL A 23 3.546 2.266 3.965 1.00 0.00 C ATOM 351 CG1 VAL A 23 3.323 3.667 3.352 1.00 0.00 C ATOM 352 CG2 VAL A 23 4.169 1.384 2.863 1.00 0.00 C ATOM 0 H VAL A 23 4.239 0.218 5.373 1.00 0.00 H new ATOM 0 HA VAL A 23 5.312 2.856 5.028 1.00 0.00 H new ATOM 0 HB VAL A 23 2.603 1.822 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.731 3.576 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.794 4.297 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.287 4.118 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.524 1.389 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.150 1.776 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.274 0.363 3.230 1.00 0.00 H new ATOM 362 N GLU A 24 2.791 2.647 7.214 1.00 0.00 N ATOM 363 CA GLU A 24 2.268 3.385 8.414 1.00 0.00 C ATOM 364 C GLU A 24 3.344 3.754 9.508 1.00 0.00 C ATOM 365 O GLU A 24 3.261 4.820 10.119 1.00 0.00 O ATOM 366 CB GLU A 24 1.078 2.546 8.932 1.00 0.00 C ATOM 367 CG GLU A 24 0.033 3.310 9.766 1.00 0.00 C ATOM 368 CD GLU A 24 -1.251 2.508 9.968 1.00 0.00 C ATOM 369 OE1 GLU A 24 -2.110 2.495 9.056 1.00 0.00 O ATOM 370 OE2 GLU A 24 -1.417 1.896 11.043 1.00 0.00 O ATOM 0 H GLU A 24 2.401 1.712 7.093 1.00 0.00 H new ATOM 0 HA GLU A 24 1.943 4.385 8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.574 2.097 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.470 1.728 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.459 3.559 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.204 4.252 9.271 1.00 0.00 H new ATOM 377 N GLN A 25 4.364 2.905 9.680 1.00 0.00 N ATOM 378 CA GLN A 25 5.532 3.133 10.563 1.00 0.00 C ATOM 379 C GLN A 25 6.644 4.103 10.045 1.00 0.00 C ATOM 380 O GLN A 25 7.227 4.792 10.883 1.00 0.00 O ATOM 381 CB GLN A 25 6.096 1.701 10.806 1.00 0.00 C ATOM 382 CG GLN A 25 7.224 1.573 11.846 1.00 0.00 C ATOM 383 CD GLN A 25 7.827 0.172 11.862 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.744 -0.139 11.106 1.00 0.00 O ATOM 385 NE2 GLN A 25 7.323 -0.712 12.688 1.00 0.00 N ATOM 0 H GLN A 25 4.408 2.008 9.196 1.00 0.00 H new ATOM 0 HA GLN A 25 5.201 3.659 11.459 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.272 1.058 11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.463 1.313 9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.004 2.302 11.627 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.834 1.812 12.836 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.562 -0.449 13.314 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.692 -1.663 12.705 1.00 0.00 H new ATOM 394 N LEU A 26 6.984 4.125 8.739 1.00 0.00 N ATOM 395 CA LEU A 26 8.261 4.725 8.233 1.00 0.00 C ATOM 396 C LEU A 26 8.678 6.176 8.615 1.00 0.00 C ATOM 397 O LEU A 26 9.879 6.450 8.661 1.00 0.00 O ATOM 398 CB LEU A 26 8.451 4.427 6.718 1.00 0.00 C ATOM 399 CG LEU A 26 7.410 4.912 5.693 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.461 6.406 5.378 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.614 4.156 4.361 1.00 0.00 C ATOM 0 H LEU A 26 6.395 3.735 8.003 1.00 0.00 H new ATOM 0 HA LEU A 26 8.987 4.191 8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.413 4.848 6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.530 3.345 6.610 1.00 0.00 H new ATOM 0 HG LEU A 26 6.443 4.713 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.690 6.650 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.289 6.976 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.440 6.659 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.878 4.497 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.617 4.351 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.491 3.086 4.527 1.00 0.00 H new ATOM 413 N GLN A 27 7.715 7.075 8.880 1.00 0.00 N ATOM 414 CA GLN A 27 7.978 8.447 9.424 1.00 0.00 C ATOM 415 C GLN A 27 9.017 9.342 8.657 1.00 0.00 C ATOM 416 O GLN A 27 9.885 9.984 9.252 1.00 0.00 O ATOM 417 CB GLN A 27 8.205 8.317 10.954 1.00 0.00 C ATOM 418 CG GLN A 27 7.960 9.612 11.754 1.00 0.00 C ATOM 419 CD GLN A 27 8.157 9.443 13.255 1.00 0.00 C ATOM 420 OE1 GLN A 27 9.222 9.699 13.805 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.147 9.019 13.978 1.00 0.00 N ATOM 0 H GLN A 27 6.725 6.884 8.728 1.00 0.00 H new ATOM 0 HA GLN A 27 7.090 9.050 9.235 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.548 7.538 11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.229 7.986 11.129 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.635 10.387 11.392 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.944 9.960 11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.256 8.803 13.532 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.253 8.906 14.986 1.00 0.00 H new ATOM 430 N VAL A 28 8.876 9.414 7.326 1.00 0.00 N ATOM 431 CA VAL A 28 9.748 10.246 6.449 1.00 0.00 C ATOM 432 C VAL A 28 8.978 11.564 6.104 1.00 0.00 C ATOM 433 O VAL A 28 7.893 11.513 5.520 1.00 0.00 O ATOM 434 CB VAL A 28 10.145 9.443 5.160 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.977 10.283 4.160 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.979 8.178 5.477 1.00 0.00 C ATOM 0 H VAL A 28 8.157 8.901 6.816 1.00 0.00 H new ATOM 0 HA VAL A 28 10.676 10.502 6.960 1.00 0.00 H new ATOM 0 HB VAL A 28 9.188 9.168 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.222 9.675 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.399 11.152 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.897 10.615 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.225 7.662 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.898 8.467 5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.402 7.513 6.119 1.00 0.00 H new ATOM 446 N GLY A 29 9.579 12.720 6.422 1.00 0.00 N ATOM 447 CA GLY A 29 9.035 14.047 6.035 1.00 0.00 C ATOM 448 C GLY A 29 9.915 14.910 5.110 1.00 0.00 C ATOM 449 O GLY A 29 9.973 16.124 5.291 1.00 0.00 O ATOM 0 H GLY A 29 10.450 12.771 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.075 13.891 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.839 14.614 6.945 1.00 0.00 H new ATOM 453 N GLN A 30 10.568 14.289 4.118 1.00 0.00 N ATOM 454 CA GLN A 30 11.542 14.972 3.216 1.00 0.00 C ATOM 455 C GLN A 30 11.713 14.241 1.829 1.00 0.00 C ATOM 456 O GLN A 30 12.816 14.210 1.270 1.00 0.00 O ATOM 457 CB GLN A 30 12.889 15.074 3.994 1.00 0.00 C ATOM 458 CG GLN A 30 13.863 16.165 3.506 1.00 0.00 C ATOM 459 CD GLN A 30 13.527 17.574 3.974 1.00 0.00 C ATOM 460 OE1 GLN A 30 13.790 17.955 5.110 1.00 0.00 O ATOM 461 NE2 GLN A 30 12.959 18.405 3.137 1.00 0.00 N ATOM 0 H GLN A 30 10.445 13.299 3.908 1.00 0.00 H new ATOM 0 HA GLN A 30 11.171 15.964 2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.667 15.255 5.046 1.00 0.00 H new ATOM 0 HB3 GLN A 30 13.394 14.110 3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.868 15.914 3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.883 16.154 2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.735 18.101 2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.740 19.357 3.432 1.00 0.00 H new ATOM 470 N SER A 31 10.651 13.616 1.276 1.00 0.00 N ATOM 471 CA SER A 31 10.714 12.946 -0.046 1.00 0.00 C ATOM 472 C SER A 31 9.298 12.574 -0.591 1.00 0.00 C ATOM 473 O SER A 31 8.629 11.710 -0.020 1.00 0.00 O ATOM 474 CB SER A 31 11.564 11.638 -0.009 1.00 0.00 C ATOM 475 OG SER A 31 12.923 11.881 0.343 1.00 0.00 O ATOM 0 H SER A 31 9.736 13.560 1.724 1.00 0.00 H new ATOM 0 HA SER A 31 11.185 13.674 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.125 10.943 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.526 11.156 -0.986 1.00 0.00 H new ATOM 0 HG SER A 31 13.078 12.847 0.401 1.00 0.00 H new ATOM 481 N LYS A 32 8.894 13.157 -1.730 1.00 0.00 N ATOM 482 CA LYS A 32 7.651 12.771 -2.451 1.00 0.00 C ATOM 483 C LYS A 32 7.840 11.751 -3.603 1.00 0.00 C ATOM 484 O LYS A 32 7.122 10.750 -3.653 1.00 0.00 O ATOM 485 CB LYS A 32 6.800 13.998 -2.833 1.00 0.00 C ATOM 486 CG LYS A 32 7.195 14.892 -4.012 1.00 0.00 C ATOM 487 CD LYS A 32 6.261 16.117 -4.141 1.00 0.00 C ATOM 488 CE LYS A 32 4.820 15.796 -4.561 1.00 0.00 C ATOM 489 NZ LYS A 32 3.981 17.016 -4.422 1.00 0.00 N ATOM 0 H LYS A 32 9.412 13.909 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 32 7.070 12.201 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.790 13.638 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.746 14.637 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.223 15.231 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.164 14.312 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.236 16.638 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.690 16.806 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.800 15.443 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.419 14.993 -3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.056 16.758 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.454 17.693 -3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.845 17.452 -5.356 1.00 0.00 H new ATOM 503 N GLN A 33 8.797 11.988 -4.512 1.00 0.00 N ATOM 504 CA GLN A 33 9.117 11.046 -5.620 1.00 0.00 C ATOM 505 C GLN A 33 9.654 9.653 -5.196 1.00 0.00 C ATOM 506 O GLN A 33 9.241 8.656 -5.783 1.00 0.00 O ATOM 507 CB GLN A 33 10.050 11.824 -6.580 1.00 0.00 C ATOM 508 CG GLN A 33 10.544 11.020 -7.802 1.00 0.00 C ATOM 509 CD GLN A 33 11.016 11.900 -8.947 1.00 0.00 C ATOM 510 OE1 GLN A 33 10.220 12.580 -9.589 1.00 0.00 O ATOM 511 NE2 GLN A 33 12.291 11.924 -9.251 1.00 0.00 N ATOM 0 H GLN A 33 9.374 12.829 -4.510 1.00 0.00 H new ATOM 0 HA GLN A 33 8.195 10.748 -6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.524 12.710 -6.935 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.917 12.172 -6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.361 10.368 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.738 10.377 -8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.953 11.360 -8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.621 12.507 -10.020 1.00 0.00 H new ATOM 520 N GLN A 34 10.533 9.584 -4.190 1.00 0.00 N ATOM 521 CA GLN A 34 10.995 8.296 -3.615 1.00 0.00 C ATOM 522 C GLN A 34 9.860 7.456 -2.941 1.00 0.00 C ATOM 523 O GLN A 34 9.711 6.285 -3.289 1.00 0.00 O ATOM 524 CB GLN A 34 12.149 8.540 -2.615 1.00 0.00 C ATOM 525 CG GLN A 34 13.444 9.109 -3.229 1.00 0.00 C ATOM 526 CD GLN A 34 14.463 9.512 -2.173 1.00 0.00 C ATOM 527 OE1 GLN A 34 15.078 8.684 -1.507 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.674 10.785 -1.956 1.00 0.00 N ATOM 0 H GLN A 34 10.946 10.405 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 34 11.349 7.700 -4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.800 9.226 -1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.384 7.598 -2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.886 8.364 -3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.200 9.976 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.171 11.485 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.341 11.077 -1.242 1.00 0.00 H new ATOM 537 N VAL A 35 9.040 8.044 -2.045 1.00 0.00 N ATOM 538 CA VAL A 35 7.828 7.354 -1.503 1.00 0.00 C ATOM 539 C VAL A 35 6.773 6.941 -2.576 1.00 0.00 C ATOM 540 O VAL A 35 6.337 5.789 -2.569 1.00 0.00 O ATOM 541 CB VAL A 35 7.277 8.142 -0.275 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.499 9.424 -0.599 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.393 7.269 0.633 1.00 0.00 C ATOM 0 H VAL A 35 9.184 8.985 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 35 8.134 6.374 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 35 8.192 8.440 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.163 9.890 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.146 10.115 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.635 9.179 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.035 7.864 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.542 6.896 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.975 6.427 1.007 1.00 0.00 H new ATOM 553 N SER A 36 6.427 7.827 -3.524 1.00 0.00 N ATOM 554 CA SER A 36 5.528 7.478 -4.656 1.00 0.00 C ATOM 555 C SER A 36 6.079 6.445 -5.677 1.00 0.00 C ATOM 556 O SER A 36 5.319 5.569 -6.089 1.00 0.00 O ATOM 557 CB SER A 36 5.104 8.808 -5.320 1.00 0.00 C ATOM 558 OG SER A 36 3.972 8.638 -6.165 1.00 0.00 O ATOM 0 H SER A 36 6.752 8.794 -3.536 1.00 0.00 H new ATOM 0 HA SER A 36 4.672 6.940 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.875 9.543 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.936 9.205 -5.902 1.00 0.00 H new ATOM 0 HG SER A 36 4.271 8.451 -7.079 1.00 0.00 H new ATOM 564 N ALA A 37 7.370 6.482 -6.042 1.00 0.00 N ATOM 565 CA ALA A 37 8.014 5.384 -6.811 1.00 0.00 C ATOM 566 C ALA A 37 8.087 3.994 -6.099 1.00 0.00 C ATOM 567 O ALA A 37 7.799 2.984 -6.744 1.00 0.00 O ATOM 568 CB ALA A 37 9.408 5.870 -7.230 1.00 0.00 C ATOM 0 H ALA A 37 7.996 7.257 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 37 7.374 5.180 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.911 5.087 -7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.312 6.762 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.993 6.106 -6.341 1.00 0.00 H new ATOM 574 N LEU A 38 8.422 3.947 -4.798 1.00 0.00 N ATOM 575 CA LEU A 38 8.354 2.696 -3.987 1.00 0.00 C ATOM 576 C LEU A 38 6.909 2.118 -3.793 1.00 0.00 C ATOM 577 O LEU A 38 6.697 0.925 -4.008 1.00 0.00 O ATOM 578 CB LEU A 38 9.062 2.922 -2.623 1.00 0.00 C ATOM 579 CG LEU A 38 10.577 2.613 -2.568 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.447 3.437 -3.518 1.00 0.00 C ATOM 581 CD2 LEU A 38 11.080 2.851 -1.128 1.00 0.00 C ATOM 0 H LEU A 38 8.745 4.760 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 38 8.877 1.929 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.916 3.962 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.562 2.308 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 38 10.675 1.576 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.491 3.144 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.132 3.259 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.339 4.496 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.147 2.637 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.904 3.890 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.544 2.195 -0.442 1.00 0.00 H new ATOM 593 N LEU A 39 5.930 2.948 -3.430 1.00 0.00 N ATOM 594 CA LEU A 39 4.497 2.545 -3.387 1.00 0.00 C ATOM 595 C LEU A 39 3.835 2.198 -4.775 1.00 0.00 C ATOM 596 O LEU A 39 2.995 1.298 -4.840 1.00 0.00 O ATOM 597 CB LEU A 39 3.728 3.708 -2.714 1.00 0.00 C ATOM 598 CG LEU A 39 4.049 3.968 -1.237 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.446 5.319 -0.822 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.553 2.926 -0.251 1.00 0.00 C ATOM 0 H LEU A 39 6.092 3.917 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 39 4.444 1.608 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.929 4.621 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.660 3.509 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 39 5.137 3.941 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.670 5.511 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.874 6.112 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.365 5.294 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.839 3.217 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.467 2.853 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.996 1.959 -0.489 1.00 0.00 H new ATOM 612 N GLY A 40 4.207 2.916 -5.841 1.00 0.00 N ATOM 613 CA GLY A 40 3.753 2.645 -7.221 1.00 0.00 C ATOM 614 C GLY A 40 2.797 3.705 -7.784 1.00 0.00 C ATOM 615 O GLY A 40 1.601 3.438 -7.946 1.00 0.00 O ATOM 0 H GLY A 40 4.840 3.713 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.625 2.575 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.258 1.674 -7.245 1.00 0.00 H new ATOM 619 N THR A 41 3.312 4.911 -8.056 1.00 0.00 N ATOM 620 CA THR A 41 2.521 6.074 -8.569 1.00 0.00 C ATOM 621 C THR A 41 3.528 7.192 -9.053 1.00 0.00 C ATOM 622 O THR A 41 4.484 7.474 -8.318 1.00 0.00 O ATOM 623 CB THR A 41 1.549 6.626 -7.484 1.00 0.00 C ATOM 624 OG1 THR A 41 0.611 5.613 -7.126 1.00 0.00 O ATOM 625 CG2 THR A 41 0.704 7.821 -7.898 1.00 0.00 C ATOM 0 H THR A 41 4.301 5.125 -7.930 1.00 0.00 H new ATOM 0 HA THR A 41 1.903 5.749 -9.406 1.00 0.00 H new ATOM 0 HB THR A 41 2.211 6.940 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.721 4.841 -7.719 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.066 8.121 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.356 8.650 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.084 7.550 -8.752 1.00 0.00 H new ATOM 633 N PRO A 42 3.350 7.889 -10.207 1.00 0.00 N ATOM 634 CA PRO A 42 4.278 8.994 -10.634 1.00 0.00 C ATOM 635 C PRO A 42 4.209 10.315 -9.808 1.00 0.00 C ATOM 636 O PRO A 42 3.327 10.526 -8.971 1.00 0.00 O ATOM 637 CB PRO A 42 3.875 9.174 -12.127 1.00 0.00 C ATOM 638 CG PRO A 42 2.380 8.791 -12.173 1.00 0.00 C ATOM 639 CD PRO A 42 2.286 7.611 -11.195 1.00 0.00 C ATOM 0 HA PRO A 42 5.324 8.734 -10.469 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.032 10.200 -12.460 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.469 8.533 -12.778 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.743 9.620 -11.865 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.069 8.506 -13.178 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.305 7.559 -10.723 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.447 6.659 -11.700 1.00 0.00 H new ATOM 647 N SER A 43 5.183 11.199 -10.055 1.00 0.00 N ATOM 648 CA SER A 43 5.372 12.455 -9.299 1.00 0.00 C ATOM 649 C SER A 43 4.385 13.608 -9.673 1.00 0.00 C ATOM 650 O SER A 43 3.653 13.571 -10.665 1.00 0.00 O ATOM 651 CB SER A 43 6.849 12.893 -9.579 1.00 0.00 C ATOM 652 OG SER A 43 7.787 11.943 -9.081 1.00 0.00 O ATOM 0 H SER A 43 5.874 11.066 -10.794 1.00 0.00 H new ATOM 0 HA SER A 43 5.164 12.265 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.994 13.018 -10.652 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.034 13.863 -9.117 1.00 0.00 H new ATOM 0 HG SER A 43 8.617 12.001 -9.598 1.00 0.00 H new ATOM 658 N ILE A 44 4.454 14.666 -8.856 1.00 0.00 N ATOM 659 CA ILE A 44 3.827 15.986 -9.168 1.00 0.00 C ATOM 660 C ILE A 44 5.029 16.991 -9.390 1.00 0.00 C ATOM 661 O ILE A 44 5.523 17.554 -8.399 1.00 0.00 O ATOM 662 CB ILE A 44 2.810 16.430 -8.057 1.00 0.00 C ATOM 663 CG1 ILE A 44 1.643 15.411 -7.884 1.00 0.00 C ATOM 664 CG2 ILE A 44 2.199 17.816 -8.385 1.00 0.00 C ATOM 665 CD1 ILE A 44 0.806 15.612 -6.620 1.00 0.00 C ATOM 0 H ILE A 44 4.941 14.647 -7.960 1.00 0.00 H new ATOM 0 HA ILE A 44 3.211 15.946 -10.067 1.00 0.00 H new ATOM 0 HB ILE A 44 3.379 16.478 -7.129 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.988 15.478 -8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.057 14.403 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.498 18.100 -7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.994 18.559 -8.447 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.674 17.766 -9.339 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.018 14.860 -6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.444 15.514 -5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.358 16.606 -6.634 1.00 0.00 H new ATOM 677 N PRO A 45 5.549 17.222 -10.633 1.00 0.00 N ATOM 678 CA PRO A 45 6.843 17.964 -10.837 1.00 0.00 C ATOM 679 C PRO A 45 6.758 19.506 -11.022 1.00 0.00 C ATOM 680 O PRO A 45 7.345 20.077 -11.944 1.00 0.00 O ATOM 681 CB PRO A 45 7.419 17.210 -12.070 1.00 0.00 C ATOM 682 CG PRO A 45 6.165 16.891 -12.918 1.00 0.00 C ATOM 683 CD PRO A 45 5.138 16.478 -11.851 1.00 0.00 C ATOM 0 HA PRO A 45 7.469 17.948 -9.945 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.130 17.826 -12.621 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.945 16.302 -11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.831 17.757 -13.489 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.352 16.090 -13.633 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.124 16.740 -12.153 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.152 15.401 -11.682 1.00 0.00 H new ATOM 691 N ASP A 46 6.116 20.174 -10.061 1.00 0.00 N ATOM 692 CA ASP A 46 6.013 21.651 -10.017 1.00 0.00 C ATOM 693 C ASP A 46 6.993 22.245 -8.947 1.00 0.00 C ATOM 694 O ASP A 46 6.920 21.838 -7.780 1.00 0.00 O ATOM 695 CB ASP A 46 4.532 22.041 -9.791 1.00 0.00 C ATOM 696 CG ASP A 46 4.264 23.544 -9.691 1.00 0.00 C ATOM 697 OD1 ASP A 46 4.946 24.338 -10.374 1.00 0.00 O ATOM 698 OD2 ASP A 46 3.404 23.947 -8.881 1.00 0.00 O ATOM 0 H ASP A 46 5.647 19.711 -9.283 1.00 0.00 H new ATOM 0 HA ASP A 46 6.325 22.086 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.937 21.635 -10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.183 21.564 -8.875 1.00 0.00 H new ATOM 703 N PRO A 47 7.893 23.207 -9.263 1.00 0.00 N ATOM 704 CA PRO A 47 8.549 24.066 -8.227 1.00 0.00 C ATOM 705 C PRO A 47 7.711 25.208 -7.575 1.00 0.00 C ATOM 706 O PRO A 47 8.176 25.752 -6.572 1.00 0.00 O ATOM 707 CB PRO A 47 9.763 24.606 -9.031 1.00 0.00 C ATOM 708 CG PRO A 47 9.227 24.766 -10.474 1.00 0.00 C ATOM 709 CD PRO A 47 8.250 23.591 -10.646 1.00 0.00 C ATOM 0 HA PRO A 47 8.769 23.491 -7.328 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.114 25.557 -8.630 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.604 23.914 -8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.725 25.724 -10.608 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.034 24.723 -11.206 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.370 23.886 -11.217 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.714 22.763 -11.182 1.00 0.00 H new ATOM 717 N PHE A 48 6.528 25.580 -8.101 1.00 0.00 N ATOM 718 CA PHE A 48 5.669 26.630 -7.491 1.00 0.00 C ATOM 719 C PHE A 48 4.866 26.115 -6.263 1.00 0.00 C ATOM 720 O PHE A 48 5.160 26.546 -5.145 1.00 0.00 O ATOM 721 CB PHE A 48 4.824 27.251 -8.632 1.00 0.00 C ATOM 722 CG PHE A 48 4.002 28.482 -8.227 1.00 0.00 C ATOM 723 CD1 PHE A 48 4.590 29.756 -8.171 1.00 0.00 C ATOM 724 CD2 PHE A 48 2.644 28.351 -7.892 1.00 0.00 C ATOM 725 CE1 PHE A 48 3.840 30.869 -7.784 1.00 0.00 C ATOM 726 CE2 PHE A 48 1.896 29.463 -7.504 1.00 0.00 C ATOM 727 CZ PHE A 48 2.495 30.720 -7.451 1.00 0.00 C ATOM 0 H PHE A 48 6.139 25.171 -8.950 1.00 0.00 H new ATOM 0 HA PHE A 48 6.272 27.422 -7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.490 27.529 -9.449 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.146 26.490 -9.019 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.632 29.876 -8.430 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.174 27.380 -7.935 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.302 31.844 -7.743 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.854 29.350 -7.245 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.916 31.581 -7.151 1.00 0.00 H new ATOM 737 N HIS A 49 3.863 25.236 -6.441 1.00 0.00 N ATOM 738 CA HIS A 49 3.095 24.665 -5.299 1.00 0.00 C ATOM 739 C HIS A 49 2.626 23.226 -5.648 1.00 0.00 C ATOM 740 O HIS A 49 1.451 22.982 -5.945 1.00 0.00 O ATOM 741 CB HIS A 49 1.954 25.642 -4.930 1.00 0.00 C ATOM 742 CG HIS A 49 1.279 25.451 -3.553 1.00 0.00 C ATOM 743 ND1 HIS A 49 0.435 26.422 -3.052 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.375 24.392 -2.606 1.00 0.00 C ATOM 745 CE1 HIS A 49 0.120 25.886 -1.834 1.00 0.00 C ATOM 746 NE2 HIS A 49 0.611 24.658 -1.482 1.00 0.00 N ATOM 0 H HIS A 49 3.560 24.902 -7.356 1.00 0.00 H new ATOM 0 HA HIS A 49 3.715 24.560 -4.409 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.350 26.656 -4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.184 25.567 -5.697 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.966 23.499 -2.746 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.515 26.431 -1.151 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.459 24.103 -0.640 1.00 0.00 H new ATOM 754 N ALA A 50 3.547 22.252 -5.552 1.00 0.00 N ATOM 755 CA ALA A 50 3.228 20.835 -5.810 1.00 0.00 C ATOM 756 C ALA A 50 2.594 20.147 -4.574 1.00 0.00 C ATOM 757 O ALA A 50 3.281 19.651 -3.675 1.00 0.00 O ATOM 758 CB ALA A 50 4.531 20.173 -6.251 1.00 0.00 C ATOM 0 H ALA A 50 4.520 22.419 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 50 2.473 20.740 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.352 19.118 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.899 20.660 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.274 20.268 -5.459 1.00 0.00 H new ATOM 764 N GLN A 51 1.261 20.107 -4.577 1.00 0.00 N ATOM 765 CA GLN A 51 0.464 19.724 -3.386 1.00 0.00 C ATOM 766 C GLN A 51 0.398 18.172 -3.121 1.00 0.00 C ATOM 767 O GLN A 51 1.175 17.370 -3.655 1.00 0.00 O ATOM 768 CB GLN A 51 -0.939 20.384 -3.598 1.00 0.00 C ATOM 769 CG GLN A 51 -0.964 21.913 -3.412 1.00 0.00 C ATOM 770 CD GLN A 51 -2.354 22.536 -3.488 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.401 21.888 -3.439 1.00 0.00 O ATOM 772 NE2 GLN A 51 -2.398 23.841 -3.576 1.00 0.00 N ATOM 0 H GLN A 51 0.696 20.336 -5.395 1.00 0.00 H new ATOM 0 HA GLN A 51 0.939 20.085 -2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.289 20.148 -4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.646 19.935 -2.901 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.523 22.156 -2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.333 22.370 -4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.532 24.379 -3.617 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.298 24.320 -3.604 1.00 0.00 H new ATOM 781 N ARG A 52 -0.534 17.797 -2.238 1.00 0.00 N ATOM 782 CA ARG A 52 -0.953 16.409 -1.958 1.00 0.00 C ATOM 783 C ARG A 52 -1.172 15.436 -3.159 1.00 0.00 C ATOM 784 O ARG A 52 -1.568 15.830 -4.259 1.00 0.00 O ATOM 785 CB ARG A 52 -2.226 16.512 -1.050 1.00 0.00 C ATOM 786 CG ARG A 52 -3.605 16.670 -1.707 1.00 0.00 C ATOM 787 CD ARG A 52 -3.851 17.937 -2.540 1.00 0.00 C ATOM 788 NE ARG A 52 -5.112 17.702 -3.270 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.943 18.600 -3.755 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.728 19.892 -3.741 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.041 18.145 -4.285 1.00 0.00 N ATOM 0 H ARG A 52 -1.042 18.477 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.104 15.924 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.259 15.617 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.083 17.360 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.772 15.806 -2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.359 16.632 -0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.928 18.816 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.027 18.116 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.371 16.726 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.869 20.262 -3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.420 20.528 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.218 17.141 -4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.724 18.793 -4.678 1.00 0.00 H new ATOM 805 N TRP A 53 -0.984 14.148 -2.876 1.00 0.00 N ATOM 806 CA TRP A 53 -1.471 13.037 -3.741 1.00 0.00 C ATOM 807 C TRP A 53 -2.784 12.505 -3.111 1.00 0.00 C ATOM 808 O TRP A 53 -2.742 11.776 -2.121 1.00 0.00 O ATOM 809 CB TRP A 53 -0.298 12.046 -3.804 1.00 0.00 C ATOM 810 CG TRP A 53 -0.486 10.560 -4.213 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.614 9.899 -4.781 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.417 9.534 -3.943 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.445 8.507 -4.839 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.183 8.301 -4.315 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.713 9.543 -3.323 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.510 7.080 -4.081 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.351 8.336 -3.088 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.759 7.119 -3.468 1.00 0.00 C ATOM 0 H TRP A 53 -0.491 13.829 -2.042 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.734 13.299 -4.766 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.432 12.470 -4.493 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.161 12.042 -2.816 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.499 10.412 -5.128 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.102 7.809 -5.187 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.182 10.475 -3.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.073 6.137 -4.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.317 8.330 -2.606 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.285 6.194 -3.280 1.00 0.00 H new ATOM 829 N ASP A 54 -3.925 12.864 -3.704 1.00 0.00 N ATOM 830 CA ASP A 54 -5.274 12.398 -3.278 1.00 0.00 C ATOM 831 C ASP A 54 -5.967 11.493 -4.348 1.00 0.00 C ATOM 832 O ASP A 54 -7.071 11.789 -4.812 1.00 0.00 O ATOM 833 CB ASP A 54 -6.086 13.646 -2.842 1.00 0.00 C ATOM 834 CG ASP A 54 -6.293 14.821 -3.800 1.00 0.00 C ATOM 835 OD1 ASP A 54 -5.332 15.255 -4.474 1.00 0.00 O ATOM 836 OD2 ASP A 54 -7.368 15.453 -3.784 1.00 0.00 O ATOM 0 H ASP A 54 -3.953 13.494 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.198 11.729 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.075 13.297 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.607 14.043 -1.947 1.00 0.00 H new ATOM 841 N TYR A 55 -5.309 10.383 -4.756 1.00 0.00 N ATOM 842 CA TYR A 55 -5.636 9.701 -6.038 1.00 0.00 C ATOM 843 C TYR A 55 -5.573 8.144 -5.904 1.00 0.00 C ATOM 844 O TYR A 55 -4.631 7.579 -5.335 1.00 0.00 O ATOM 845 CB TYR A 55 -4.666 10.139 -7.191 1.00 0.00 C ATOM 846 CG TYR A 55 -4.590 11.652 -7.462 1.00 0.00 C ATOM 847 CD1 TYR A 55 -5.755 12.389 -7.739 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.400 12.351 -7.206 1.00 0.00 C ATOM 849 CE1 TYR A 55 -5.759 13.778 -7.615 1.00 0.00 C ATOM 850 CE2 TYR A 55 -3.403 13.743 -7.102 1.00 0.00 C ATOM 851 CZ TYR A 55 -4.591 14.450 -7.267 1.00 0.00 C ATOM 852 OH TYR A 55 -4.685 15.707 -6.756 1.00 0.00 O ATOM 0 H TYR A 55 -4.557 9.942 -4.226 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.655 10.001 -6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.664 9.780 -6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.974 9.639 -8.109 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.653 11.876 -8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.474 11.807 -7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.669 14.333 -7.789 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.484 14.271 -6.894 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.456 15.691 -5.803 1.00 0.00 H new ATOM 862 N THR A 56 -6.559 7.469 -6.510 1.00 0.00 N ATOM 863 CA THR A 56 -6.635 5.985 -6.545 1.00 0.00 C ATOM 864 C THR A 56 -5.845 5.453 -7.785 1.00 0.00 C ATOM 865 O THR A 56 -6.327 5.561 -8.917 1.00 0.00 O ATOM 866 CB THR A 56 -8.148 5.566 -6.604 1.00 0.00 C ATOM 867 OG1 THR A 56 -8.987 6.327 -5.734 1.00 0.00 O ATOM 868 CG2 THR A 56 -8.383 4.106 -6.239 1.00 0.00 C ATOM 0 H THR A 56 -7.331 7.928 -6.993 1.00 0.00 H new ATOM 0 HA THR A 56 -6.185 5.552 -5.652 1.00 0.00 H new ATOM 0 HB THR A 56 -8.408 5.753 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.671 6.234 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.448 3.883 -6.300 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.838 3.465 -6.932 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.031 3.924 -5.223 1.00 0.00 H new ATOM 1095 N LYS A 70 -4.607 0.855 -4.234 1.00 0.00 N ATOM 1096 CA LYS A 70 -3.649 1.971 -3.988 1.00 0.00 C ATOM 1097 C LYS A 70 -4.304 3.400 -3.963 1.00 0.00 C ATOM 1098 O LYS A 70 -3.964 4.273 -4.770 1.00 0.00 O ATOM 1099 CB LYS A 70 -2.387 1.933 -4.903 1.00 0.00 C ATOM 1100 CG LYS A 70 -1.489 0.703 -4.743 1.00 0.00 C ATOM 1101 CD LYS A 70 -0.170 0.778 -5.531 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.227 0.401 -7.020 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.543 1.559 -7.898 1.00 0.00 N ATOM 0 HA LYS A 70 -3.304 1.783 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.712 1.990 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.791 2.824 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.260 0.569 -3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.041 -0.180 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.214 1.795 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.554 0.125 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.731 -0.024 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.979 -0.374 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.702 1.225 -8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.400 2.034 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.252 2.229 -7.888 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.190 3.648 -2.988 1.00 0.00 N ATOM 1118 CA ASN A 71 -5.644 5.025 -2.661 1.00 0.00 C ATOM 1119 C ASN A 71 -4.831 5.520 -1.434 1.00 0.00 C ATOM 1120 O ASN A 71 -5.181 5.275 -0.279 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.166 5.006 -2.416 1.00 0.00 C ATOM 1122 CG ASN A 71 -7.795 6.388 -2.461 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.003 6.944 -3.534 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.099 6.999 -1.344 1.00 0.00 N ATOM 0 H ASN A 71 -5.611 2.922 -2.409 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.466 5.722 -3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.641 4.373 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.366 4.554 -1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.507 7.933 -1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.928 6.541 -0.449 1.00 0.00 H new ATOM 1131 N PHE A 72 -3.712 6.190 -1.707 1.00 0.00 N ATOM 1132 CA PHE A 72 -2.809 6.691 -0.642 1.00 0.00 C ATOM 1133 C PHE A 72 -2.941 8.227 -0.580 1.00 0.00 C ATOM 1134 O PHE A 72 -2.305 8.944 -1.358 1.00 0.00 O ATOM 1135 CB PHE A 72 -1.410 6.136 -0.978 1.00 0.00 C ATOM 1136 CG PHE A 72 -0.356 6.354 0.107 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -0.287 5.518 1.230 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.593 7.369 -0.034 1.00 0.00 C ATOM 1139 CE1 PHE A 72 0.692 5.714 2.202 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.602 7.540 0.915 1.00 0.00 C ATOM 1141 CZ PHE A 72 1.646 6.718 2.037 1.00 0.00 C ATOM 0 H PHE A 72 -3.399 6.404 -2.654 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.049 6.355 0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.496 5.067 -1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.062 6.600 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.999 4.714 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.545 8.029 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.712 5.089 3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.348 8.309 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.418 6.857 2.779 1.00 0.00 H new ATOM 1151 N THR A 73 -3.804 8.724 0.330 1.00 0.00 N ATOM 1152 CA THR A 73 -4.043 10.187 0.473 1.00 0.00 C ATOM 1153 C THR A 73 -2.946 10.794 1.383 1.00 0.00 C ATOM 1154 O THR A 73 -2.970 10.647 2.609 1.00 0.00 O ATOM 1155 CB THR A 73 -5.482 10.466 0.978 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.417 9.844 0.100 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.840 11.955 0.983 1.00 0.00 C ATOM 0 H THR A 73 -4.345 8.146 0.973 1.00 0.00 H new ATOM 0 HA THR A 73 -3.972 10.675 -0.499 1.00 0.00 H new ATOM 0 HB THR A 73 -5.524 10.080 1.996 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.328 10.017 0.417 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.860 12.083 1.347 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.152 12.492 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.764 12.351 -0.030 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.970 11.439 0.742 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.739 11.930 1.411 1.00 0.00 C ATOM 1167 C VAL A 74 -0.504 13.421 1.063 1.00 0.00 C ATOM 1168 O VAL A 74 -0.505 13.823 -0.103 1.00 0.00 O ATOM 1169 CB VAL A 74 0.477 11.003 1.116 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.808 10.813 -0.363 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.770 11.486 1.810 1.00 0.00 C ATOM 0 H VAL A 74 -2.000 11.642 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.868 11.884 2.492 1.00 0.00 H new ATOM 0 HB VAL A 74 0.144 10.046 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.669 10.152 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.048 10.372 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.040 11.779 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.587 10.805 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.019 12.488 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.618 11.507 2.889 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.260 14.221 2.100 1.00 0.00 N ATOM 1182 CA PHE A 75 -0.103 15.685 1.981 1.00 0.00 C ATOM 1183 C PHE A 75 1.390 16.074 1.818 1.00 0.00 C ATOM 1184 O PHE A 75 2.272 15.568 2.520 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.771 16.359 3.211 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.315 16.317 3.142 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -3.031 15.218 3.649 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -3.025 17.338 2.492 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.415 15.136 3.495 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.410 17.255 2.336 1.00 0.00 C ATOM 1191 CZ PHE A 75 -5.102 16.154 2.837 1.00 0.00 C ATOM 0 H PHE A 75 -0.164 13.878 3.056 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.603 16.044 1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.437 15.860 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.441 17.396 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.503 14.428 4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.495 18.197 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.953 14.285 3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.945 18.044 1.827 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.173 16.090 2.715 1.00 0.00 H new ATOM 1201 N PHE A 76 1.650 16.978 0.872 1.00 0.00 N ATOM 1202 CA PHE A 76 3.008 17.477 0.564 1.00 0.00 C ATOM 1203 C PHE A 76 2.937 19.037 0.361 1.00 0.00 C ATOM 1204 O PHE A 76 1.966 19.544 -0.215 1.00 0.00 O ATOM 1205 CB PHE A 76 3.557 16.868 -0.755 1.00 0.00 C ATOM 1206 CG PHE A 76 3.610 15.340 -0.881 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.554 14.562 -0.187 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.742 14.698 -1.773 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.614 13.176 -0.376 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.844 13.328 -2.006 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.768 12.566 -1.297 1.00 0.00 C ATOM 0 H PHE A 76 0.924 17.393 0.288 1.00 0.00 H new ATOM 0 HA PHE A 76 3.662 17.197 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.949 17.249 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.567 17.250 -0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.239 15.038 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.985 15.272 -2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.315 12.582 0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.205 12.857 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.828 11.500 -1.462 1.00 0.00 H new ATOM 1221 N GLU A 77 3.985 19.769 0.765 1.00 0.00 N ATOM 1222 CA GLU A 77 4.105 21.229 0.421 1.00 0.00 C ATOM 1223 C GLU A 77 4.621 21.450 -1.034 1.00 0.00 C ATOM 1224 O GLU A 77 3.872 21.946 -1.879 1.00 0.00 O ATOM 1225 CB GLU A 77 4.887 21.910 1.563 1.00 0.00 C ATOM 1226 CG GLU A 77 5.069 23.436 1.483 1.00 0.00 C ATOM 1227 CD GLU A 77 6.189 23.941 0.587 1.00 0.00 C ATOM 1228 OE1 GLU A 77 7.374 23.687 0.889 1.00 0.00 O ATOM 1229 OE2 GLU A 77 5.891 24.607 -0.425 1.00 0.00 O ATOM 0 H GLU A 77 4.758 19.401 1.320 1.00 0.00 H new ATOM 0 HA GLU A 77 3.135 21.724 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.383 21.679 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.876 21.455 1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.132 23.873 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.243 23.812 2.491 1.00 0.00 H new ATOM 1236 N ASN A 78 5.868 21.049 -1.316 1.00 0.00 N ATOM 1237 CA ASN A 78 6.470 21.129 -2.675 1.00 0.00 C ATOM 1238 C ASN A 78 7.316 19.856 -3.020 1.00 0.00 C ATOM 1239 O ASN A 78 7.085 19.233 -4.063 1.00 0.00 O ATOM 1240 CB ASN A 78 7.284 22.436 -2.853 1.00 0.00 C ATOM 1241 CG ASN A 78 6.571 23.482 -3.700 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.306 23.266 -4.880 1.00 0.00 O ATOM 1243 ND2 ASN A 78 6.253 24.628 -3.156 1.00 0.00 N ATOM 0 H ASN A 78 6.497 20.658 -0.615 1.00 0.00 H new ATOM 0 HA ASN A 78 5.650 21.157 -3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.498 22.859 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.243 22.198 -3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.784 25.344 -3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.474 24.806 -2.176 1.00 0.00 H new ATOM 1250 N GLU A 79 8.283 19.495 -2.166 1.00 0.00 N ATOM 1251 CA GLU A 79 8.924 18.149 -2.172 1.00 0.00 C ATOM 1252 C GLU A 79 8.574 17.239 -0.942 1.00 0.00 C ATOM 1253 O GLU A 79 8.620 16.015 -1.056 1.00 0.00 O ATOM 1254 CB GLU A 79 10.438 18.313 -2.452 1.00 0.00 C ATOM 1255 CG GLU A 79 11.408 18.530 -1.282 1.00 0.00 C ATOM 1256 CD GLU A 79 11.805 17.302 -0.476 1.00 0.00 C ATOM 1257 OE1 GLU A 79 11.692 16.163 -0.978 1.00 0.00 O ATOM 1258 OE2 GLU A 79 12.253 17.473 0.675 1.00 0.00 O ATOM 0 H GLU A 79 8.651 20.118 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 79 8.487 17.572 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.768 17.423 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.554 19.157 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.317 18.985 -1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.960 19.252 -0.600 1.00 0.00 H new ATOM 1265 N GLN A 80 8.277 17.815 0.225 1.00 0.00 N ATOM 1266 CA GLN A 80 8.450 17.173 1.546 1.00 0.00 C ATOM 1267 C GLN A 80 7.108 16.720 2.169 1.00 0.00 C ATOM 1268 O GLN A 80 6.061 17.340 1.947 1.00 0.00 O ATOM 1269 CB GLN A 80 9.235 18.167 2.445 1.00 0.00 C ATOM 1270 CG GLN A 80 8.578 19.485 2.903 1.00 0.00 C ATOM 1271 CD GLN A 80 8.498 20.629 1.898 1.00 0.00 C ATOM 1272 OE1 GLN A 80 8.035 20.499 0.766 1.00 0.00 O ATOM 1273 NE2 GLN A 80 8.848 21.828 2.292 1.00 0.00 N ATOM 0 H GLN A 80 7.901 18.761 0.288 1.00 0.00 H new ATOM 0 HA GLN A 80 9.017 16.248 1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.532 17.625 3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.150 18.430 1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.564 19.257 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.123 19.844 3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.235 21.965 3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.734 22.624 1.665 1.00 0.00 H new ATOM 1282 N VAL A 81 7.129 15.629 2.950 1.00 0.00 N ATOM 1283 CA VAL A 81 5.876 14.939 3.370 1.00 0.00 C ATOM 1284 C VAL A 81 5.321 15.517 4.712 1.00 0.00 C ATOM 1285 O VAL A 81 6.043 15.664 5.702 1.00 0.00 O ATOM 1286 CB VAL A 81 6.015 13.378 3.477 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.632 12.713 3.312 1.00 0.00 C ATOM 1288 CG2 VAL A 81 6.996 12.708 2.505 1.00 0.00 C ATOM 0 H VAL A 81 7.984 15.201 3.306 1.00 0.00 H new ATOM 0 HA VAL A 81 5.164 15.139 2.570 1.00 0.00 H new ATOM 0 HB VAL A 81 6.439 13.223 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.737 11.631 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.962 13.068 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.219 12.970 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.002 11.632 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.686 12.909 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.997 13.107 2.666 1.00 0.00 H new ATOM 1298 N VAL A 82 4.016 15.797 4.713 1.00 0.00 N ATOM 1299 CA VAL A 82 3.301 16.419 5.863 1.00 0.00 C ATOM 1300 C VAL A 82 2.607 15.287 6.686 1.00 0.00 C ATOM 1301 O VAL A 82 3.056 15.013 7.800 1.00 0.00 O ATOM 1302 CB VAL A 82 2.388 17.565 5.319 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.476 18.200 6.384 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.218 18.714 4.677 1.00 0.00 C ATOM 0 H VAL A 82 3.409 15.603 3.917 1.00 0.00 H new ATOM 0 HA VAL A 82 3.961 16.911 6.577 1.00 0.00 H new ATOM 0 HB VAL A 82 1.765 17.069 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.875 18.986 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.819 17.437 6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.087 18.627 7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.544 19.489 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.890 19.139 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.802 18.320 3.845 1.00 0.00 H new ATOM 1314 N ARG A 83 1.566 14.611 6.149 1.00 0.00 N ATOM 1315 CA ARG A 83 1.040 13.340 6.734 1.00 0.00 C ATOM 1316 C ARG A 83 0.286 12.469 5.676 1.00 0.00 C ATOM 1317 O ARG A 83 -0.226 12.984 4.678 1.00 0.00 O ATOM 1318 CB ARG A 83 0.243 13.553 8.045 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.104 14.290 8.036 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.316 13.612 7.381 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.537 12.199 7.789 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.239 11.777 8.831 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -3.875 12.571 9.652 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.288 10.495 9.043 1.00 0.00 N ATOM 0 H ARG A 83 1.069 14.918 5.313 1.00 0.00 H new ATOM 0 HA ARG A 83 1.911 12.758 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.066 12.567 8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.896 14.089 8.733 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.368 14.508 9.071 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.953 15.247 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.210 14.188 7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.193 13.648 6.299 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.104 11.481 7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.848 13.580 9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.398 12.181 10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.797 9.856 8.418 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.817 10.129 9.834 1.00 0.00 H new ATOM 1338 N TRP A 84 0.176 11.155 5.935 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.580 10.204 5.074 1.00 0.00 C ATOM 1340 C TRP A 84 -1.720 9.450 5.820 1.00 0.00 C ATOM 1341 O TRP A 84 -1.696 9.259 7.041 1.00 0.00 O ATOM 1342 CB TRP A 84 0.365 9.212 4.350 1.00 0.00 C ATOM 1343 CG TRP A 84 1.332 8.361 5.206 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.170 7.020 5.643 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.600 8.733 5.642 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.271 6.594 6.399 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.141 7.660 6.385 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.388 9.903 5.397 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.456 7.756 6.921 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.667 9.976 5.930 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.190 8.919 6.695 1.00 0.00 C ATOM 0 H TRP A 84 0.607 10.713 6.747 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.071 10.823 4.323 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.254 8.528 3.769 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.964 9.782 3.640 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.309 6.407 5.421 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.399 5.692 6.858 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.993 10.716 4.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.877 6.942 7.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.268 10.856 5.755 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.180 9.010 7.116 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.708 8.995 5.043 1.00 0.00 N ATOM 1363 CA GLU A 85 -3.434 7.732 5.351 1.00 0.00 C ATOM 1364 C GLU A 85 -3.460 6.844 4.058 1.00 0.00 C ATOM 1365 O GLU A 85 -3.633 7.325 2.931 1.00 0.00 O ATOM 1366 CB GLU A 85 -4.844 7.990 5.926 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.203 7.139 7.166 1.00 0.00 C ATOM 1368 CD GLU A 85 -5.350 5.638 6.996 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -4.338 4.939 6.781 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -6.475 5.122 7.164 1.00 0.00 O ATOM 0 H GLU A 85 -3.031 9.469 4.200 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.906 7.195 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.926 9.044 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.580 7.798 5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.437 7.314 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.141 7.520 7.570 1.00 0.00 H new ATOM 1377 N GLY A 86 -3.250 5.543 4.262 1.00 0.00 N ATOM 1378 CA GLY A 86 -3.144 4.567 3.167 1.00 0.00 C ATOM 1379 C GLY A 86 -4.270 3.547 3.108 1.00 0.00 C ATOM 1380 O GLY A 86 -4.141 2.465 3.688 1.00 0.00 O ATOM 0 H GLY A 86 -3.148 5.132 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.112 5.107 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.197 4.036 3.263 1.00 0.00 H new ATOM 1384 N ASP A 87 -5.329 3.854 2.352 1.00 0.00 N ATOM 1385 CA ASP A 87 -6.400 2.872 2.034 1.00 0.00 C ATOM 1386 C ASP A 87 -6.057 2.067 0.737 1.00 0.00 C ATOM 1387 O ASP A 87 -6.484 2.364 -0.381 1.00 0.00 O ATOM 1388 CB ASP A 87 -7.771 3.552 2.168 1.00 0.00 C ATOM 1389 CG ASP A 87 -8.262 4.518 1.119 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -7.841 5.692 1.108 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -9.125 4.120 0.307 1.00 0.00 O ATOM 0 H ASP A 87 -5.478 4.776 1.942 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.464 2.062 2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.515 2.759 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.772 4.085 3.119 1.00 0.00 H new ATOM 1396 N TYR A 88 -5.198 1.050 0.922 1.00 0.00 N ATOM 1397 CA TYR A 88 -4.406 0.423 -0.170 1.00 0.00 C ATOM 1398 C TYR A 88 -4.642 -1.111 -0.257 1.00 0.00 C ATOM 1399 O TYR A 88 -5.683 -1.521 -0.777 1.00 0.00 O ATOM 1400 CB TYR A 88 -2.946 0.944 -0.134 1.00 0.00 C ATOM 1401 CG TYR A 88 -2.089 0.919 1.157 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -2.406 0.190 2.327 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -0.944 1.724 1.179 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -1.623 0.302 3.476 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -0.158 1.829 2.331 1.00 0.00 C ATOM 1406 CZ TYR A 88 -0.507 1.128 3.481 1.00 0.00 C ATOM 1407 OH TYR A 88 0.221 1.278 4.622 1.00 0.00 O ATOM 0 H TYR A 88 -5.027 0.631 1.836 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.765 0.743 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.394 0.381 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.975 1.981 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.267 -0.463 2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.663 2.273 0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.885 -0.255 4.363 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.722 2.456 2.328 1.00 0.00 H new ATOM 0 HH TYR A 88 0.919 0.591 4.657 1.00 0.00 H new ATOM 1667 N GLY A 105 -11.604 5.259 -0.287 1.00 0.00 N ATOM 1668 CA GLY A 105 -11.728 6.725 -0.526 1.00 0.00 C ATOM 1669 C GLY A 105 -11.939 7.166 -1.989 1.00 0.00 C ATOM 1670 O GLY A 105 -11.123 7.892 -2.558 1.00 0.00 O ATOM 0 HA2 GLY A 105 -12.563 7.098 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.827 7.210 -0.150 1.00 0.00 H new ATOM 1674 N ARG A 106 -13.046 6.694 -2.569 1.00 0.00 N ATOM 1675 CA ARG A 106 -13.316 6.704 -4.037 1.00 0.00 C ATOM 1676 C ARG A 106 -14.790 6.178 -4.196 1.00 0.00 C ATOM 1677 O ARG A 106 -15.133 5.151 -3.606 1.00 0.00 O ATOM 1678 CB ARG A 106 -12.282 5.796 -4.746 1.00 0.00 C ATOM 1679 CG ARG A 106 -12.178 5.835 -6.278 1.00 0.00 C ATOM 1680 CD ARG A 106 -13.344 5.332 -7.131 1.00 0.00 C ATOM 1681 NE ARG A 106 -13.818 4.007 -6.681 1.00 0.00 N ATOM 1682 CZ ARG A 106 -14.905 3.391 -7.103 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -15.612 3.756 -8.140 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -15.287 2.360 -6.422 1.00 0.00 N ATOM 0 H ARG A 106 -13.807 6.281 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 106 -13.222 7.692 -4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -11.299 6.042 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -12.496 4.767 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.987 6.869 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.297 5.258 -6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -14.165 6.048 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -13.033 5.272 -8.174 1.00 0.00 H new ATOM 0 HE ARG A 106 -13.254 3.525 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -15.333 4.571 -8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -16.443 3.226 -8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -14.754 2.063 -5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -16.121 1.844 -6.702 1.00 0.00 H new ATOM 1698 N ASN A 107 -15.638 6.877 -4.976 1.00 0.00 N ATOM 1699 CA ASN A 107 -17.119 6.645 -5.047 1.00 0.00 C ATOM 1700 C ASN A 107 -17.668 5.178 -4.988 1.00 0.00 C ATOM 1701 O ASN A 107 -17.711 4.453 -5.985 1.00 0.00 O ATOM 1702 CB ASN A 107 -17.712 7.467 -6.228 1.00 0.00 C ATOM 1703 CG ASN A 107 -17.425 7.004 -7.652 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -16.291 6.801 -8.072 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -18.436 6.834 -8.469 1.00 0.00 N ATOM 0 H ASN A 107 -15.323 7.631 -5.587 1.00 0.00 H new ATOM 0 HA ASN A 107 -17.484 7.006 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -18.794 7.497 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -17.351 8.491 -6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -18.270 6.539 -9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -19.389 6.997 -8.142 1.00 0.00 H new ATOM 1712 N LEU A 108 -18.051 4.741 -3.778 1.00 0.00 N ATOM 1713 CA LEU A 108 -18.056 3.288 -3.432 1.00 0.00 C ATOM 1714 C LEU A 108 -19.391 2.568 -3.774 1.00 0.00 C ATOM 1715 O LEU A 108 -20.220 2.292 -2.902 1.00 0.00 O ATOM 1716 CB LEU A 108 -17.656 3.229 -1.930 1.00 0.00 C ATOM 1717 CG LEU A 108 -17.308 1.832 -1.366 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -15.987 1.303 -1.932 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -17.188 1.921 0.168 1.00 0.00 C ATOM 0 H LEU A 108 -18.360 5.354 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 108 -17.347 2.728 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.796 3.882 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -18.476 3.641 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 108 -18.104 1.147 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -15.779 0.319 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -16.061 1.225 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.180 1.988 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -16.943 0.939 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -16.401 2.628 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -18.135 2.259 0.588 1.00 0.00 H new ATOM 1731 N ALA A 109 -19.568 2.240 -5.064 1.00 0.00 N ATOM 1732 CA ALA A 109 -20.806 1.607 -5.568 1.00 0.00 C ATOM 1733 C ALA A 109 -20.541 0.167 -6.099 1.00 0.00 C ATOM 1734 O ALA A 109 -20.098 -0.066 -7.229 1.00 0.00 O ATOM 1735 CB ALA A 109 -21.358 2.511 -6.672 1.00 0.00 C ATOM 0 H ALA A 109 -18.865 2.403 -5.785 1.00 0.00 H new ATOM 0 HA ALA A 109 -21.530 1.501 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -22.275 2.078 -7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -21.572 3.498 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -20.621 2.602 -7.470 1.00 0.00 H new ATOM 1741 N ARG A 110 -20.849 -0.794 -5.235 1.00 0.00 N ATOM 1742 CA ARG A 110 -20.849 -2.239 -5.582 1.00 0.00 C ATOM 1743 C ARG A 110 -21.867 -3.028 -4.702 1.00 0.00 C ATOM 1744 O ARG A 110 -22.017 -2.800 -3.499 1.00 0.00 O ATOM 1745 CB ARG A 110 -19.404 -2.800 -5.513 1.00 0.00 C ATOM 1746 CG ARG A 110 -19.173 -4.150 -6.225 1.00 0.00 C ATOM 1747 CD ARG A 110 -19.334 -5.407 -5.363 1.00 0.00 C ATOM 1748 NE ARG A 110 -18.138 -5.644 -4.526 1.00 0.00 N ATOM 1749 CZ ARG A 110 -18.081 -5.547 -3.205 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -19.130 -5.429 -2.427 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -16.906 -5.576 -2.652 1.00 0.00 N ATOM 0 H ARG A 110 -21.109 -0.608 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 110 -21.189 -2.367 -6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -18.727 -2.063 -5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.127 -2.912 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -19.867 -4.218 -7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -18.167 -4.149 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -20.212 -5.303 -4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -19.508 -6.271 -6.005 1.00 0.00 H new ATOM 0 HE ARG A 110 -17.279 -5.906 -5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -20.066 -5.407 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -19.010 -5.359 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -16.072 -5.670 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -16.817 -5.504 -1.638 1.00 0.00 H new ATOM 1765 N ASP A 111 -22.525 -3.987 -5.349 1.00 0.00 N ATOM 1766 CA ASP A 111 -23.462 -4.961 -4.745 1.00 0.00 C ATOM 1767 C ASP A 111 -23.024 -5.718 -3.451 1.00 0.00 C ATOM 1768 O ASP A 111 -21.863 -6.091 -3.250 1.00 0.00 O ATOM 1769 CB ASP A 111 -23.891 -5.937 -5.885 1.00 0.00 C ATOM 1770 CG ASP A 111 -22.804 -6.668 -6.681 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -21.923 -6.000 -7.266 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -22.819 -7.915 -6.743 1.00 0.00 O ATOM 0 H ASP A 111 -22.422 -4.122 -6.355 1.00 0.00 H new ATOM 0 HA ASP A 111 -24.289 -4.375 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -24.542 -6.693 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -24.495 -5.371 -6.594 1.00 0.00 H new ATOM 1777 N LYS A 112 -24.011 -5.966 -2.580 1.00 0.00 N ATOM 1778 CA LYS A 112 -23.825 -6.757 -1.326 1.00 0.00 C ATOM 1779 C LYS A 112 -24.315 -8.217 -1.571 1.00 0.00 C ATOM 1780 O LYS A 112 -25.383 -8.639 -1.123 1.00 0.00 O ATOM 1781 CB LYS A 112 -24.556 -5.984 -0.203 1.00 0.00 C ATOM 1782 CG LYS A 112 -24.168 -6.312 1.253 1.00 0.00 C ATOM 1783 CD LYS A 112 -24.728 -7.634 1.792 1.00 0.00 C ATOM 1784 CE LYS A 112 -24.501 -7.860 3.300 1.00 0.00 C ATOM 1785 NZ LYS A 112 -25.420 -7.031 4.135 1.00 0.00 N ATOM 0 H LYS A 112 -24.965 -5.630 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 112 -22.785 -6.863 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -24.390 -4.919 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -25.626 -6.160 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -23.081 -6.339 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -24.511 -5.501 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -25.799 -7.669 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -24.273 -8.457 1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -24.650 -8.914 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -23.468 -7.620 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -25.234 -7.213 5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -25.261 -6.024 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -26.406 -7.278 3.915 1.00 0.00 H new