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 20 GLN : amide:sc= 1.05 K(o=2.3,f=-1.9) USER MOD Set 1.2: A 88 TYR OH : rot -63:sc= 1.21 USER MOD Set 2.1: A 56 THR OG1 : rot -21:sc= 1.08 USER MOD Set 2.2: A 71 ASN : amide:sc= 2.28 K(o=3.4,f=-4.3!) USER MOD Set 3.1: A 36 SER OG : rot 86:sc= 0.292 USER MOD Set 3.2: A 43 SER OG : rot -170:sc= 1.06 USER MOD Set 4.1: A 32 LYS NZ :NH3+ 179:sc= 1.97 (180deg=0.751) USER MOD Set 4.2: A 33 GLN : amide:sc= 1.09 K(o=3.1,f=-9.4!) USER MOD Set 5.1: A 31 SER OG : rot -163:sc= 0.961 USER MOD Set 5.2: A 34 GLN : amide:sc= 1.05 K(o=2,f=-0.53!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc=-0.000931 X(o=-0.00093,f=-0.0053) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -16:sc= 0.759 USER MOD Single : A 49 HIS : no HE2:sc= 0.192 K(o=0.19,f=-0.74) USER MOD Single : A 51 GLN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : A 55 TYR OH : rot 30:sc= 0.775 USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.16) USER MOD Single : A 73 THR OG1 : rot -141:sc= 1.24 USER MOD Single : A 78 ASN : amide:sc= 0.951 K(o=0.95,f=-4.7!) USER MOD Single : A 80 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.64) USER MOD Single : A 107 ASN : amide:sc= -0.0542 X(o=-0.054,f=-0.53) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 1.069 -2.158 -1.429 1.00 0.00 N ATOM 265 CA ILE A 18 0.349 -1.530 -0.283 1.00 0.00 C ATOM 266 C ILE A 18 0.321 -2.500 0.942 1.00 0.00 C ATOM 267 O ILE A 18 -0.309 -3.560 0.891 1.00 0.00 O ATOM 268 CB ILE A 18 -1.077 -1.097 -0.756 1.00 0.00 C ATOM 269 CG1 ILE A 18 -1.092 0.038 -1.819 1.00 0.00 C ATOM 270 CG2 ILE A 18 -2.025 -0.706 0.395 1.00 0.00 C ATOM 271 CD1 ILE A 18 -0.288 1.297 -1.526 1.00 0.00 C ATOM 0 HA ILE A 18 0.873 -0.635 0.053 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.447 -2.007 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.730 -0.379 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.129 0.333 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.994 -0.418 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.152 -1.555 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.600 0.132 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.394 1.997 -2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.657 1.760 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.763 1.037 -1.403 1.00 0.00 H new ATOM 283 N LYS A 19 0.943 -2.085 2.060 1.00 0.00 N ATOM 284 CA LYS A 19 0.873 -2.829 3.343 1.00 0.00 C ATOM 285 C LYS A 19 0.910 -1.822 4.544 1.00 0.00 C ATOM 286 O LYS A 19 1.987 -1.323 4.895 1.00 0.00 O ATOM 287 CB LYS A 19 2.042 -3.839 3.501 1.00 0.00 C ATOM 288 CG LYS A 19 2.141 -4.934 2.427 1.00 0.00 C ATOM 289 CD LYS A 19 2.976 -6.141 2.885 1.00 0.00 C ATOM 290 CE LYS A 19 2.158 -7.094 3.768 1.00 0.00 C ATOM 291 NZ LYS A 19 3.021 -8.053 4.494 1.00 0.00 N ATOM 0 H LYS A 19 1.504 -1.234 2.107 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.062 -3.389 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.978 -3.281 3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.950 -4.321 4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.138 -5.270 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.584 -4.513 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.346 -6.680 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.848 -5.792 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.576 -6.515 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.447 -7.642 3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.430 -8.678 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.558 -8.624 3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.682 -7.532 5.104 1.00 0.00 H new ATOM 305 N GLN A 20 -0.227 -1.537 5.204 1.00 0.00 N ATOM 306 CA GLN A 20 -0.296 -0.447 6.237 1.00 0.00 C ATOM 307 C GLN A 20 0.188 -0.821 7.679 1.00 0.00 C ATOM 308 O GLN A 20 -0.467 -0.586 8.694 1.00 0.00 O ATOM 309 CB GLN A 20 -1.702 0.186 6.135 1.00 0.00 C ATOM 310 CG GLN A 20 -1.842 1.546 6.858 1.00 0.00 C ATOM 311 CD GLN A 20 -3.005 2.408 6.387 1.00 0.00 C ATOM 312 OE1 GLN A 20 -2.804 3.402 5.694 1.00 0.00 O ATOM 313 NE2 GLN A 20 -4.236 2.045 6.654 1.00 0.00 N ATOM 0 H GLN A 20 -1.108 -2.029 5.055 1.00 0.00 H new ATOM 0 HA GLN A 20 0.458 0.306 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.952 0.320 5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.432 -0.509 6.550 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.955 1.363 7.927 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.917 2.107 6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.411 1.221 7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.018 2.587 6.287 1.00 0.00 H new ATOM 322 N ASN A 21 1.434 -1.295 7.722 1.00 0.00 N ATOM 323 CA ASN A 21 2.374 -1.093 8.856 1.00 0.00 C ATOM 324 C ASN A 21 3.827 -0.837 8.311 1.00 0.00 C ATOM 325 O ASN A 21 4.482 0.076 8.807 1.00 0.00 O ATOM 326 CB ASN A 21 2.259 -2.231 9.881 1.00 0.00 C ATOM 327 CG ASN A 21 3.099 -2.078 11.144 1.00 0.00 C ATOM 328 OD1 ASN A 21 4.033 -2.837 11.374 1.00 0.00 O ATOM 329 ND2 ASN A 21 2.829 -1.127 12.010 1.00 0.00 N ATOM 0 H ASN A 21 1.838 -1.842 6.962 1.00 0.00 H new ATOM 0 HA ASN A 21 2.102 -0.196 9.411 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.213 -2.326 10.173 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.540 -3.164 9.392 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.393 -1.031 12.855 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.056 -0.485 11.837 1.00 0.00 H new ATOM 336 N ALA A 22 4.301 -1.541 7.260 1.00 0.00 N ATOM 337 CA ALA A 22 5.414 -1.045 6.404 1.00 0.00 C ATOM 338 C ALA A 22 5.237 0.372 5.750 1.00 0.00 C ATOM 339 O ALA A 22 6.208 1.126 5.701 1.00 0.00 O ATOM 340 CB ALA A 22 5.652 -2.119 5.330 1.00 0.00 C ATOM 0 H ALA A 22 3.936 -2.451 6.980 1.00 0.00 H new ATOM 0 HA ALA A 22 6.270 -0.888 7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.462 -1.803 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.920 -3.060 5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.743 -2.256 4.745 1.00 0.00 H new ATOM 346 N VAL A 23 4.022 0.740 5.310 1.00 0.00 N ATOM 347 CA VAL A 23 3.686 2.135 4.877 1.00 0.00 C ATOM 348 C VAL A 23 3.677 3.193 6.039 1.00 0.00 C ATOM 349 O VAL A 23 4.078 4.332 5.803 1.00 0.00 O ATOM 350 CB VAL A 23 2.366 2.166 4.037 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.008 3.586 3.533 1.00 0.00 C ATOM 352 CG2 VAL A 23 2.439 1.253 2.789 1.00 0.00 C ATOM 0 H VAL A 23 3.238 0.092 5.239 1.00 0.00 H new ATOM 0 HA VAL A 23 4.507 2.447 4.231 1.00 0.00 H new ATOM 0 HB VAL A 23 1.601 1.810 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.084 3.545 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.875 4.252 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.813 3.962 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.499 1.310 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.255 1.581 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.615 0.224 3.101 1.00 0.00 H new ATOM 362 N GLU A 24 3.269 2.839 7.263 1.00 0.00 N ATOM 363 CA GLU A 24 3.632 3.620 8.484 1.00 0.00 C ATOM 364 C GLU A 24 5.173 3.709 8.756 1.00 0.00 C ATOM 365 O GLU A 24 5.720 4.810 8.859 1.00 0.00 O ATOM 366 CB GLU A 24 2.816 2.976 9.631 1.00 0.00 C ATOM 367 CG GLU A 24 3.063 3.516 11.048 1.00 0.00 C ATOM 368 CD GLU A 24 2.228 2.846 12.131 1.00 0.00 C ATOM 369 OE1 GLU A 24 1.772 1.691 11.981 1.00 0.00 O ATOM 370 OE2 GLU A 24 1.931 3.529 13.133 1.00 0.00 O ATOM 0 H GLU A 24 2.688 2.021 7.450 1.00 0.00 H new ATOM 0 HA GLU A 24 3.377 4.673 8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.757 3.095 9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.023 1.906 9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.118 3.393 11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.856 4.586 11.057 1.00 0.00 H new ATOM 377 N GLN A 25 5.853 2.560 8.874 1.00 0.00 N ATOM 378 CA GLN A 25 7.269 2.490 9.315 1.00 0.00 C ATOM 379 C GLN A 25 8.367 2.780 8.236 1.00 0.00 C ATOM 380 O GLN A 25 9.542 2.864 8.604 1.00 0.00 O ATOM 381 CB GLN A 25 7.471 1.137 10.054 1.00 0.00 C ATOM 382 CG GLN A 25 8.085 1.223 11.468 1.00 0.00 C ATOM 383 CD GLN A 25 9.558 1.565 11.556 1.00 0.00 C ATOM 384 OE1 GLN A 25 10.427 0.765 11.221 1.00 0.00 O ATOM 385 NE2 GLN A 25 9.907 2.744 12.012 1.00 0.00 N ATOM 0 H GLN A 25 5.444 1.648 8.668 1.00 0.00 H new ATOM 0 HA GLN A 25 7.431 3.332 9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.504 0.639 10.129 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.110 0.502 9.440 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.529 1.970 12.034 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.929 0.265 11.964 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.191 3.415 12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.894 2.990 12.086 1.00 0.00 H new ATOM 394 N LEU A 26 8.033 3.009 6.950 1.00 0.00 N ATOM 395 CA LEU A 26 8.913 3.750 6.000 1.00 0.00 C ATOM 396 C LEU A 26 9.387 5.177 6.417 1.00 0.00 C ATOM 397 O LEU A 26 10.500 5.561 6.052 1.00 0.00 O ATOM 398 CB LEU A 26 8.366 3.658 4.549 1.00 0.00 C ATOM 399 CG LEU A 26 6.981 4.225 4.193 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.888 5.746 4.090 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.518 3.649 2.832 1.00 0.00 C ATOM 0 H LEU A 26 7.156 2.692 6.536 1.00 0.00 H new ATOM 0 HA LEU A 26 9.862 3.216 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.091 4.152 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.361 2.603 4.275 1.00 0.00 H new ATOM 0 HG LEU A 26 6.349 3.926 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.868 6.032 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.162 6.193 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.568 6.101 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.537 4.052 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.233 3.927 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.458 2.563 2.898 1.00 0.00 H new ATOM 413 N GLN A 27 8.562 5.928 7.177 1.00 0.00 N ATOM 414 CA GLN A 27 8.932 7.235 7.800 1.00 0.00 C ATOM 415 C GLN A 27 9.631 8.294 6.890 1.00 0.00 C ATOM 416 O GLN A 27 10.655 8.887 7.240 1.00 0.00 O ATOM 417 CB GLN A 27 9.633 6.921 9.147 1.00 0.00 C ATOM 418 CG GLN A 27 9.725 8.076 10.164 1.00 0.00 C ATOM 419 CD GLN A 27 8.396 8.573 10.709 1.00 0.00 C ATOM 420 OE1 GLN A 27 7.733 9.422 10.123 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.947 8.072 11.834 1.00 0.00 N ATOM 0 H GLN A 27 7.604 5.647 7.383 1.00 0.00 H new ATOM 0 HA GLN A 27 8.015 7.796 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.106 6.092 9.620 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.644 6.575 8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.343 7.752 11.001 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.240 8.913 9.692 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.490 7.365 12.330 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.055 8.389 12.213 1.00 0.00 H new ATOM 430 N VAL A 28 9.036 8.555 5.719 1.00 0.00 N ATOM 431 CA VAL A 28 9.573 9.539 4.742 1.00 0.00 C ATOM 432 C VAL A 28 8.996 10.948 5.100 1.00 0.00 C ATOM 433 O VAL A 28 7.782 11.152 5.075 1.00 0.00 O ATOM 434 CB VAL A 28 9.225 9.100 3.278 1.00 0.00 C ATOM 435 CG1 VAL A 28 9.699 10.131 2.224 1.00 0.00 C ATOM 436 CG2 VAL A 28 9.861 7.748 2.870 1.00 0.00 C ATOM 0 H VAL A 28 8.176 8.100 5.414 1.00 0.00 H new ATOM 0 HA VAL A 28 10.661 9.586 4.797 1.00 0.00 H new ATOM 0 HB VAL A 28 8.138 9.016 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.434 9.780 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.217 11.090 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.780 10.249 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.578 7.507 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.946 7.821 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.507 6.963 3.538 1.00 0.00 H new ATOM 446 N GLY A 29 9.885 11.905 5.382 1.00 0.00 N ATOM 447 CA GLY A 29 9.515 13.343 5.493 1.00 0.00 C ATOM 448 C GLY A 29 10.454 14.260 4.688 1.00 0.00 C ATOM 449 O GLY A 29 11.110 15.136 5.250 1.00 0.00 O ATOM 0 H GLY A 29 10.876 11.721 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.492 13.479 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.535 13.640 6.542 1.00 0.00 H new ATOM 453 N GLN A 30 10.544 13.999 3.373 1.00 0.00 N ATOM 454 CA GLN A 30 11.699 14.449 2.546 1.00 0.00 C ATOM 455 C GLN A 30 11.374 14.568 1.024 1.00 0.00 C ATOM 456 O GLN A 30 11.753 15.569 0.414 1.00 0.00 O ATOM 457 CB GLN A 30 12.884 13.462 2.771 1.00 0.00 C ATOM 458 CG GLN A 30 14.251 13.992 2.293 1.00 0.00 C ATOM 459 CD GLN A 30 15.384 13.008 2.552 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.897 12.900 3.663 1.00 0.00 O ATOM 461 NE2 GLN A 30 15.807 12.254 1.568 1.00 0.00 N ATOM 0 H GLN A 30 9.837 13.480 2.852 1.00 0.00 H new ATOM 0 HA GLN A 30 11.961 15.457 2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.950 13.228 3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.668 12.528 2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.200 14.208 1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.469 14.933 2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.385 12.339 0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.558 11.582 1.727 1.00 0.00 H new ATOM 470 N SER A 31 10.753 13.541 0.417 1.00 0.00 N ATOM 471 CA SER A 31 10.824 13.325 -1.047 1.00 0.00 C ATOM 472 C SER A 31 9.538 12.633 -1.588 1.00 0.00 C ATOM 473 O SER A 31 9.266 11.454 -1.332 1.00 0.00 O ATOM 474 CB SER A 31 12.110 12.506 -1.364 1.00 0.00 C ATOM 475 OG SER A 31 12.244 11.349 -0.537 1.00 0.00 O ATOM 0 H SER A 31 10.196 12.846 0.913 1.00 0.00 H new ATOM 0 HA SER A 31 10.880 14.287 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.092 12.200 -2.410 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.984 13.144 -1.233 1.00 0.00 H new ATOM 0 HG SER A 31 13.169 11.026 -0.573 1.00 0.00 H new ATOM 481 N LYS A 32 8.779 13.394 -2.387 1.00 0.00 N ATOM 482 CA LYS A 32 7.486 12.955 -2.984 1.00 0.00 C ATOM 483 C LYS A 32 7.541 11.712 -3.922 1.00 0.00 C ATOM 484 O LYS A 32 6.761 10.772 -3.762 1.00 0.00 O ATOM 485 CB LYS A 32 6.810 14.208 -3.631 1.00 0.00 C ATOM 486 CG LYS A 32 7.453 14.733 -4.933 1.00 0.00 C ATOM 487 CD LYS A 32 6.911 16.089 -5.396 1.00 0.00 C ATOM 488 CE LYS A 32 7.271 16.445 -6.858 1.00 0.00 C ATOM 489 NZ LYS A 32 8.734 16.589 -7.093 1.00 0.00 N ATOM 0 H LYS A 32 9.038 14.345 -2.648 1.00 0.00 H new ATOM 0 HA LYS A 32 6.868 12.563 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.767 13.967 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.812 15.015 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.530 14.815 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.294 14.001 -5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.826 16.091 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.297 16.867 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.880 15.671 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.774 17.377 -7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.905 16.811 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.107 17.358 -6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.214 15.699 -6.849 1.00 0.00 H new ATOM 503 N GLN A 33 8.501 11.727 -4.852 1.00 0.00 N ATOM 504 CA GLN A 33 8.811 10.601 -5.753 1.00 0.00 C ATOM 505 C GLN A 33 9.442 9.330 -5.117 1.00 0.00 C ATOM 506 O GLN A 33 9.278 8.257 -5.696 1.00 0.00 O ATOM 507 CB GLN A 33 9.590 11.107 -6.995 1.00 0.00 C ATOM 508 CG GLN A 33 10.926 11.856 -6.801 1.00 0.00 C ATOM 509 CD GLN A 33 10.795 13.329 -6.419 1.00 0.00 C ATOM 510 OE1 GLN A 33 10.036 14.094 -7.009 1.00 0.00 O ATOM 511 NE2 GLN A 33 11.501 13.788 -5.416 1.00 0.00 N ATOM 0 H GLN A 33 9.100 12.538 -5.007 1.00 0.00 H new ATOM 0 HA GLN A 33 7.836 10.221 -6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.789 10.244 -7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.924 11.766 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.501 11.346 -6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.501 11.786 -7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.137 13.168 -4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.415 14.765 -5.137 1.00 0.00 H new ATOM 520 N GLN A 34 10.102 9.408 -3.947 1.00 0.00 N ATOM 521 CA GLN A 34 10.521 8.196 -3.197 1.00 0.00 C ATOM 522 C GLN A 34 9.346 7.455 -2.487 1.00 0.00 C ATOM 523 O GLN A 34 9.224 6.246 -2.691 1.00 0.00 O ATOM 524 CB GLN A 34 11.659 8.520 -2.202 1.00 0.00 C ATOM 525 CG GLN A 34 12.985 8.924 -2.886 1.00 0.00 C ATOM 526 CD GLN A 34 14.148 9.058 -1.915 1.00 0.00 C ATOM 527 OE1 GLN A 34 14.252 10.020 -1.159 1.00 0.00 O ATOM 528 NE2 GLN A 34 15.048 8.107 -1.884 1.00 0.00 N ATOM 0 H GLN A 34 10.358 10.287 -3.498 1.00 0.00 H new ATOM 0 HA GLN A 34 10.899 7.501 -3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.337 9.329 -1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.837 7.650 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.236 8.181 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.844 9.872 -3.405 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.965 7.306 -2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.831 8.167 -1.234 1.00 0.00 H new ATOM 537 N VAL A 35 8.472 8.134 -1.714 1.00 0.00 N ATOM 538 CA VAL A 35 7.238 7.485 -1.161 1.00 0.00 C ATOM 539 C VAL A 35 6.247 6.931 -2.232 1.00 0.00 C ATOM 540 O VAL A 35 5.811 5.784 -2.105 1.00 0.00 O ATOM 541 CB VAL A 35 6.602 8.384 -0.060 1.00 0.00 C ATOM 542 CG1 VAL A 35 5.863 9.631 -0.566 1.00 0.00 C ATOM 543 CG2 VAL A 35 5.644 7.589 0.852 1.00 0.00 C ATOM 0 H VAL A 35 8.584 9.114 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 35 7.549 6.562 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 35 7.470 8.735 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.460 10.184 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.556 10.266 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.047 9.329 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.223 8.255 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.839 7.165 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.193 6.786 1.344 1.00 0.00 H new ATOM 553 N SER A 36 5.951 7.694 -3.295 1.00 0.00 N ATOM 554 CA SER A 36 5.181 7.183 -4.455 1.00 0.00 C ATOM 555 C SER A 36 5.828 6.069 -5.325 1.00 0.00 C ATOM 556 O SER A 36 5.086 5.230 -5.831 1.00 0.00 O ATOM 557 CB SER A 36 4.748 8.378 -5.325 1.00 0.00 C ATOM 558 OG SER A 36 5.846 8.950 -6.030 1.00 0.00 O ATOM 0 H SER A 36 6.231 8.671 -3.382 1.00 0.00 H new ATOM 0 HA SER A 36 4.334 6.660 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.990 8.052 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.287 9.138 -4.694 1.00 0.00 H new ATOM 0 HG SER A 36 5.982 8.466 -6.871 1.00 0.00 H new ATOM 564 N ALA A 37 7.158 6.018 -5.482 1.00 0.00 N ATOM 565 CA ALA A 37 7.847 4.833 -6.053 1.00 0.00 C ATOM 566 C ALA A 37 7.896 3.570 -5.133 1.00 0.00 C ATOM 567 O ALA A 37 7.661 2.469 -5.634 1.00 0.00 O ATOM 568 CB ALA A 37 9.256 5.266 -6.473 1.00 0.00 C ATOM 0 H ALA A 37 7.786 6.779 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 37 7.254 4.501 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.787 4.414 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.186 6.058 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.798 5.635 -5.602 1.00 0.00 H new ATOM 574 N LEU A 38 8.142 3.721 -3.816 1.00 0.00 N ATOM 575 CA LEU A 38 7.924 2.628 -2.821 1.00 0.00 C ATOM 576 C LEU A 38 6.463 2.053 -2.749 1.00 0.00 C ATOM 577 O LEU A 38 6.298 0.838 -2.634 1.00 0.00 O ATOM 578 CB LEU A 38 8.382 3.093 -1.409 1.00 0.00 C ATOM 579 CG LEU A 38 9.833 2.754 -1.009 1.00 0.00 C ATOM 580 CD1 LEU A 38 10.905 3.463 -1.838 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.039 3.121 0.477 1.00 0.00 C ATOM 0 H LEU A 38 8.493 4.587 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 38 8.534 1.799 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.255 4.174 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.713 2.651 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 38 9.956 1.687 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.893 3.165 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.795 3.188 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.793 4.542 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.062 2.886 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.857 4.187 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.344 2.550 1.093 1.00 0.00 H new ATOM 593 N LEU A 39 5.449 2.915 -2.827 1.00 0.00 N ATOM 594 CA LEU A 39 4.035 2.505 -3.001 1.00 0.00 C ATOM 595 C LEU A 39 3.605 2.060 -4.443 1.00 0.00 C ATOM 596 O LEU A 39 2.674 1.264 -4.560 1.00 0.00 O ATOM 597 CB LEU A 39 3.165 3.718 -2.572 1.00 0.00 C ATOM 598 CG LEU A 39 3.203 4.043 -1.064 1.00 0.00 C ATOM 599 CD1 LEU A 39 2.622 5.435 -0.812 1.00 0.00 C ATOM 600 CD2 LEU A 39 2.416 3.036 -0.227 1.00 0.00 C ATOM 0 H LEU A 39 5.575 3.926 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 39 3.897 1.610 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.494 4.597 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.132 3.526 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 39 4.250 3.997 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.653 5.655 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.209 6.178 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.589 5.466 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.476 3.312 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.373 3.036 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.837 2.040 -0.365 1.00 0.00 H new ATOM 612 N GLY A 40 4.239 2.577 -5.499 1.00 0.00 N ATOM 613 CA GLY A 40 3.918 2.246 -6.903 1.00 0.00 C ATOM 614 C GLY A 40 2.832 3.130 -7.524 1.00 0.00 C ATOM 615 O GLY A 40 1.693 2.679 -7.671 1.00 0.00 O ATOM 0 H GLY A 40 5.002 3.248 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.825 2.330 -7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.598 1.205 -6.955 1.00 0.00 H new ATOM 619 N THR A 41 3.144 4.399 -7.844 1.00 0.00 N ATOM 620 CA THR A 41 2.137 5.352 -8.417 1.00 0.00 C ATOM 621 C THR A 41 2.829 6.563 -9.144 1.00 0.00 C ATOM 622 O THR A 41 3.682 7.212 -8.524 1.00 0.00 O ATOM 623 CB THR A 41 1.145 5.856 -7.318 1.00 0.00 C ATOM 624 OG1 THR A 41 0.481 4.749 -6.710 1.00 0.00 O ATOM 625 CG2 THR A 41 0.023 6.755 -7.823 1.00 0.00 C ATOM 0 H THR A 41 4.074 4.800 -7.722 1.00 0.00 H new ATOM 0 HA THR A 41 1.564 4.803 -9.165 1.00 0.00 H new ATOM 0 HB THR A 41 1.780 6.424 -6.638 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.591 3.953 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.610 7.051 -6.987 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.450 7.644 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.575 6.214 -8.557 1.00 0.00 H new ATOM 633 N PRO A 42 2.457 6.966 -10.397 1.00 0.00 N ATOM 634 CA PRO A 42 2.941 8.249 -11.016 1.00 0.00 C ATOM 635 C PRO A 42 2.399 9.529 -10.317 1.00 0.00 C ATOM 636 O PRO A 42 1.264 9.571 -9.834 1.00 0.00 O ATOM 637 CB PRO A 42 2.470 8.104 -12.485 1.00 0.00 C ATOM 638 CG PRO A 42 1.188 7.246 -12.396 1.00 0.00 C ATOM 639 CD PRO A 42 1.486 6.254 -11.259 1.00 0.00 C ATOM 0 HA PRO A 42 4.018 8.386 -10.919 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.267 9.076 -12.935 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.229 7.621 -13.100 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.313 7.857 -12.174 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.987 6.730 -13.335 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.581 5.996 -10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.903 5.323 -11.643 1.00 0.00 H new ATOM 647 N SER A 43 3.260 10.544 -10.190 1.00 0.00 N ATOM 648 CA SER A 43 3.129 11.575 -9.124 1.00 0.00 C ATOM 649 C SER A 43 2.754 12.990 -9.667 1.00 0.00 C ATOM 650 O SER A 43 2.086 13.120 -10.695 1.00 0.00 O ATOM 651 CB SER A 43 4.459 11.474 -8.321 1.00 0.00 C ATOM 652 OG SER A 43 4.663 10.146 -7.837 1.00 0.00 O ATOM 0 H SER A 43 4.060 10.684 -10.807 1.00 0.00 H new ATOM 0 HA SER A 43 2.282 11.395 -8.462 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.295 11.766 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.436 12.171 -7.483 1.00 0.00 H new ATOM 0 HG SER A 43 5.417 10.138 -7.211 1.00 0.00 H new ATOM 658 N ILE A 44 3.132 14.048 -8.935 1.00 0.00 N ATOM 659 CA ILE A 44 2.797 15.464 -9.277 1.00 0.00 C ATOM 660 C ILE A 44 4.177 16.191 -9.496 1.00 0.00 C ATOM 661 O ILE A 44 4.726 16.708 -8.516 1.00 0.00 O ATOM 662 CB ILE A 44 1.905 16.097 -8.149 1.00 0.00 C ATOM 663 CG1 ILE A 44 0.525 15.385 -7.999 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.628 17.597 -8.411 1.00 0.00 C ATOM 665 CD1 ILE A 44 -0.071 15.589 -6.606 1.00 0.00 C ATOM 0 H ILE A 44 3.683 13.959 -8.081 1.00 0.00 H new ATOM 0 HA ILE A 44 2.199 15.557 -10.184 1.00 0.00 H new ATOM 0 HB ILE A 44 2.480 15.970 -7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.166 15.769 -8.750 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.643 14.319 -8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.008 17.998 -7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.572 18.141 -8.446 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.108 17.710 -9.362 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.032 15.078 -6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.607 15.181 -5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.214 16.654 -6.424 1.00 0.00 H new ATOM 677 N PRO A 45 4.796 16.228 -10.712 1.00 0.00 N ATOM 678 CA PRO A 45 6.202 16.738 -10.886 1.00 0.00 C ATOM 679 C PRO A 45 6.342 18.272 -11.090 1.00 0.00 C ATOM 680 O PRO A 45 6.797 18.754 -12.132 1.00 0.00 O ATOM 681 CB PRO A 45 6.674 15.879 -12.094 1.00 0.00 C ATOM 682 CG PRO A 45 5.400 15.719 -12.958 1.00 0.00 C ATOM 683 CD PRO A 45 4.291 15.523 -11.911 1.00 0.00 C ATOM 0 HA PRO A 45 6.813 16.629 -9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.473 16.373 -12.648 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.061 14.913 -11.770 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.219 16.598 -13.577 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.474 14.865 -13.631 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.344 15.943 -12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.117 14.466 -11.708 1.00 0.00 H new ATOM 691 N ASP A 46 6.003 19.018 -10.035 1.00 0.00 N ATOM 692 CA ASP A 46 5.930 20.496 -10.081 1.00 0.00 C ATOM 693 C ASP A 46 7.085 21.132 -9.235 1.00 0.00 C ATOM 694 O ASP A 46 7.085 20.970 -8.009 1.00 0.00 O ATOM 695 CB ASP A 46 4.550 20.976 -9.570 1.00 0.00 C ATOM 696 CG ASP A 46 3.420 20.784 -10.573 1.00 0.00 C ATOM 697 OD1 ASP A 46 3.229 21.673 -11.430 1.00 0.00 O ATOM 698 OD2 ASP A 46 2.722 19.749 -10.509 1.00 0.00 O ATOM 0 H ASP A 46 5.770 18.624 -9.123 1.00 0.00 H new ATOM 0 HA ASP A 46 6.050 20.820 -11.115 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.305 20.438 -8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.617 22.033 -9.311 1.00 0.00 H new ATOM 703 N PRO A 47 8.057 21.892 -9.804 1.00 0.00 N ATOM 704 CA PRO A 47 9.032 22.686 -8.986 1.00 0.00 C ATOM 705 C PRO A 47 8.517 23.994 -8.311 1.00 0.00 C ATOM 706 O PRO A 47 9.185 24.485 -7.399 1.00 0.00 O ATOM 707 CB PRO A 47 10.163 22.936 -10.018 1.00 0.00 C ATOM 708 CG PRO A 47 9.441 23.013 -11.382 1.00 0.00 C ATOM 709 CD PRO A 47 8.293 21.996 -11.260 1.00 0.00 C ATOM 0 HA PRO A 47 9.322 22.142 -8.087 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.699 23.860 -9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.897 22.130 -10.004 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.064 24.017 -11.577 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.112 22.759 -12.203 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.401 22.337 -11.785 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.567 21.032 -11.689 1.00 0.00 H new ATOM 717 N PHE A 48 7.365 24.545 -8.736 1.00 0.00 N ATOM 718 CA PHE A 48 6.738 25.726 -8.089 1.00 0.00 C ATOM 719 C PHE A 48 5.942 25.364 -6.799 1.00 0.00 C ATOM 720 O PHE A 48 6.324 25.826 -5.722 1.00 0.00 O ATOM 721 CB PHE A 48 5.918 26.453 -9.186 1.00 0.00 C ATOM 722 CG PHE A 48 5.352 27.817 -8.761 1.00 0.00 C ATOM 723 CD1 PHE A 48 6.147 28.973 -8.818 1.00 0.00 C ATOM 724 CD2 PHE A 48 4.030 27.931 -8.299 1.00 0.00 C ATOM 725 CE1 PHE A 48 5.635 30.209 -8.417 1.00 0.00 C ATOM 726 CE2 PHE A 48 3.519 29.166 -7.897 1.00 0.00 C ATOM 727 CZ PHE A 48 4.323 30.303 -7.957 1.00 0.00 C ATOM 0 H PHE A 48 6.839 24.190 -9.535 1.00 0.00 H new ATOM 0 HA PHE A 48 7.494 26.410 -7.703 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.552 26.594 -10.062 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.092 25.810 -9.490 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.164 28.906 -9.175 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.402 27.053 -8.254 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.256 31.092 -8.463 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.502 29.241 -7.540 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.928 31.259 -7.646 1.00 0.00 H new ATOM 737 N HIS A 49 4.846 24.584 -6.899 1.00 0.00 N ATOM 738 CA HIS A 49 4.111 24.092 -5.703 1.00 0.00 C ATOM 739 C HIS A 49 3.474 22.704 -5.995 1.00 0.00 C ATOM 740 O HIS A 49 2.305 22.604 -6.385 1.00 0.00 O ATOM 741 CB HIS A 49 3.109 25.163 -5.227 1.00 0.00 C ATOM 742 CG HIS A 49 2.465 24.929 -3.854 1.00 0.00 C ATOM 743 ND1 HIS A 49 2.929 24.118 -2.829 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.304 25.579 -3.429 1.00 0.00 C ATOM 745 CE1 HIS A 49 1.980 24.350 -1.877 1.00 0.00 C ATOM 746 NE2 HIS A 49 0.952 25.217 -2.141 1.00 0.00 N ATOM 0 H HIS A 49 4.448 24.280 -7.787 1.00 0.00 H new ATOM 0 HA HIS A 49 4.798 23.931 -4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.621 26.125 -5.205 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.314 25.242 -5.969 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.751 23.515 -2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.748 26.280 -4.033 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.038 23.853 -0.920 1.00 0.00 H new ATOM 754 N ALA A 50 4.239 21.631 -5.740 1.00 0.00 N ATOM 755 CA ALA A 50 3.727 20.247 -5.787 1.00 0.00 C ATOM 756 C ALA A 50 2.873 19.896 -4.538 1.00 0.00 C ATOM 757 O ALA A 50 3.379 19.580 -3.458 1.00 0.00 O ATOM 758 CB ALA A 50 4.936 19.324 -5.943 1.00 0.00 C ATOM 0 H ALA A 50 5.227 21.695 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 50 3.050 20.123 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.600 18.288 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.464 19.569 -6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.607 19.456 -5.094 1.00 0.00 H new ATOM 764 N GLN A 51 1.556 19.993 -4.729 1.00 0.00 N ATOM 765 CA GLN A 51 0.559 19.847 -3.637 1.00 0.00 C ATOM 766 C GLN A 51 0.181 18.351 -3.386 1.00 0.00 C ATOM 767 O GLN A 51 0.858 17.426 -3.846 1.00 0.00 O ATOM 768 CB GLN A 51 -0.640 20.754 -4.046 1.00 0.00 C ATOM 769 CG GLN A 51 -0.335 22.270 -3.984 1.00 0.00 C ATOM 770 CD GLN A 51 -1.151 23.102 -4.960 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.313 23.419 -4.732 1.00 0.00 O ATOM 772 NE2 GLN A 51 -0.581 23.478 -6.082 1.00 0.00 N ATOM 0 H GLN A 51 1.138 20.175 -5.641 1.00 0.00 H new ATOM 0 HA GLN A 51 0.952 20.166 -2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.947 20.497 -5.060 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.485 20.537 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.523 22.627 -2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.725 22.426 -4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.386 23.216 -6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.105 24.032 -6.760 1.00 0.00 H new ATOM 781 N ARG A 52 -0.875 18.104 -2.600 1.00 0.00 N ATOM 782 CA ARG A 52 -1.231 16.745 -2.131 1.00 0.00 C ATOM 783 C ARG A 52 -1.588 15.704 -3.240 1.00 0.00 C ATOM 784 O ARG A 52 -2.302 16.013 -4.201 1.00 0.00 O ATOM 785 CB ARG A 52 -2.327 16.892 -1.042 1.00 0.00 C ATOM 786 CG ARG A 52 -3.800 16.935 -1.452 1.00 0.00 C ATOM 787 CD ARG A 52 -4.331 18.124 -2.246 1.00 0.00 C ATOM 788 NE ARG A 52 -5.674 17.731 -2.773 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.956 17.425 -4.039 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.151 17.655 -5.045 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.087 16.826 -4.282 1.00 0.00 N ATOM 0 H ARG A 52 -1.508 18.832 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.331 16.297 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.207 16.063 -0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.116 17.807 -0.489 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.001 16.037 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.394 16.861 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.409 19.008 -1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.654 18.376 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.443 17.694 -2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.245 18.094 -4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.430 17.395 -5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.723 16.607 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.337 16.576 -5.239 1.00 0.00 H new ATOM 805 N TRP A 53 -1.151 14.454 -3.033 1.00 0.00 N ATOM 806 CA TRP A 53 -1.653 13.284 -3.819 1.00 0.00 C ATOM 807 C TRP A 53 -2.897 12.739 -3.072 1.00 0.00 C ATOM 808 O TRP A 53 -2.767 12.127 -2.016 1.00 0.00 O ATOM 809 CB TRP A 53 -0.477 12.305 -3.970 1.00 0.00 C ATOM 810 CG TRP A 53 -0.735 10.808 -4.355 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.866 10.202 -4.991 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.101 9.729 -4.052 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.760 8.801 -5.047 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.543 8.529 -4.459 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.379 9.667 -3.409 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.084 7.270 -4.213 1.00 0.00 C ATOM 817 CZ3 TRP A 53 1.957 8.427 -3.172 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.324 7.243 -3.583 1.00 0.00 C ATOM 0 H TRP A 53 -0.451 14.212 -2.331 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.985 13.514 -4.832 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.193 12.720 -4.723 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.066 12.306 -3.025 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.705 10.758 -5.383 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.431 8.137 -5.434 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.887 10.573 -3.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.398 6.351 -4.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.908 8.372 -2.664 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.809 6.294 -3.407 1.00 0.00 H new ATOM 829 N ASP A 54 -4.071 13.020 -3.633 1.00 0.00 N ATOM 830 CA ASP A 54 -5.406 12.722 -3.024 1.00 0.00 C ATOM 831 C ASP A 54 -6.330 12.093 -4.108 1.00 0.00 C ATOM 832 O ASP A 54 -7.296 12.711 -4.567 1.00 0.00 O ATOM 833 CB ASP A 54 -5.837 14.091 -2.478 1.00 0.00 C ATOM 834 CG ASP A 54 -7.204 14.258 -1.870 1.00 0.00 C ATOM 835 OD1 ASP A 54 -7.657 13.345 -1.143 1.00 0.00 O ATOM 836 OD2 ASP A 54 -7.804 15.344 -2.079 1.00 0.00 O ATOM 0 H ASP A 54 -4.144 13.472 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.425 11.985 -2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.107 14.384 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.755 14.807 -3.295 1.00 0.00 H new ATOM 841 N TYR A 55 -5.966 10.887 -4.592 1.00 0.00 N ATOM 842 CA TYR A 55 -6.494 10.366 -5.883 1.00 0.00 C ATOM 843 C TYR A 55 -6.663 8.813 -5.867 1.00 0.00 C ATOM 844 O TYR A 55 -5.847 8.073 -5.306 1.00 0.00 O ATOM 845 CB TYR A 55 -5.554 10.767 -7.068 1.00 0.00 C ATOM 846 CG TYR A 55 -5.523 12.276 -7.370 1.00 0.00 C ATOM 847 CD1 TYR A 55 -6.629 12.922 -7.947 1.00 0.00 C ATOM 848 CD2 TYR A 55 -4.441 13.056 -6.941 1.00 0.00 C ATOM 849 CE1 TYR A 55 -6.671 14.317 -8.036 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.497 14.450 -7.002 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.613 15.081 -7.548 1.00 0.00 C ATOM 852 OH TYR A 55 -5.686 16.442 -7.588 1.00 0.00 O ATOM 0 H TYR A 55 -5.317 10.258 -4.119 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.477 10.816 -6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.541 10.433 -6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.872 10.235 -7.965 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.454 12.336 -8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.554 12.574 -6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.525 14.803 -8.484 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.674 15.040 -6.626 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.622 16.722 -7.516 1.00 0.00 H new ATOM 862 N THR A 56 -7.707 8.331 -6.562 1.00 0.00 N ATOM 863 CA THR A 56 -8.023 6.879 -6.650 1.00 0.00 C ATOM 864 C THR A 56 -7.197 6.184 -7.787 1.00 0.00 C ATOM 865 O THR A 56 -7.661 5.990 -8.914 1.00 0.00 O ATOM 866 CB THR A 56 -9.566 6.700 -6.842 1.00 0.00 C ATOM 867 OG1 THR A 56 -10.329 7.505 -5.942 1.00 0.00 O ATOM 868 CG2 THR A 56 -10.032 5.262 -6.618 1.00 0.00 C ATOM 0 H THR A 56 -8.357 8.924 -7.078 1.00 0.00 H new ATOM 0 HA THR A 56 -7.733 6.387 -5.722 1.00 0.00 H new ATOM 0 HB THR A 56 -9.735 7.002 -7.876 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.773 7.754 -5.174 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.110 5.202 -6.765 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.531 4.603 -7.327 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.787 4.954 -5.601 1.00 0.00 H new ATOM 1095 N LYS A 70 -6.135 1.778 -4.888 1.00 0.00 N ATOM 1096 CA LYS A 70 -5.108 2.588 -4.178 1.00 0.00 C ATOM 1097 C LYS A 70 -5.594 4.061 -4.028 1.00 0.00 C ATOM 1098 O LYS A 70 -5.082 4.980 -4.684 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.760 2.500 -4.950 1.00 0.00 C ATOM 1100 CG LYS A 70 -3.169 1.097 -5.084 1.00 0.00 C ATOM 1101 CD LYS A 70 -2.002 0.998 -6.077 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.662 1.492 -5.522 1.00 0.00 C ATOM 1103 NZ LYS A 70 0.412 0.520 -5.844 1.00 0.00 N ATOM 0 HA LYS A 70 -4.953 2.194 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.906 2.911 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.031 3.136 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.827 0.764 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.957 0.411 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.892 -0.041 -6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.248 1.575 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.421 2.466 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.733 1.623 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.255 0.733 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.084 -0.443 -5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.651 0.589 -6.854 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.564 4.272 -3.121 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.995 5.639 -2.722 1.00 0.00 C ATOM 1119 C ASN A 71 -6.158 6.090 -1.490 1.00 0.00 C ATOM 1120 O ASN A 71 -6.433 5.724 -0.344 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.521 5.658 -2.485 1.00 0.00 C ATOM 1122 CG ASN A 71 -9.119 7.057 -2.584 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.290 7.590 -3.674 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.454 7.694 -1.493 1.00 0.00 N ATOM 0 H ASN A 71 -7.067 3.522 -2.648 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.807 6.362 -3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.005 5.009 -3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.736 5.245 -1.499 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.855 8.630 -1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.314 7.255 -0.583 1.00 0.00 H new ATOM 1131 N PHE A 72 -5.096 6.843 -1.779 1.00 0.00 N ATOM 1132 CA PHE A 72 -4.144 7.340 -0.757 1.00 0.00 C ATOM 1133 C PHE A 72 -4.141 8.889 -0.774 1.00 0.00 C ATOM 1134 O PHE A 72 -3.811 9.496 -1.798 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.765 6.725 -1.093 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.676 6.907 -0.025 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.779 6.272 1.223 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.503 7.614 -0.319 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.715 6.289 2.126 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.558 7.643 0.589 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.459 6.960 1.798 1.00 0.00 C ATOM 0 H PHE A 72 -4.862 7.132 -2.729 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.421 7.045 0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.898 5.658 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.410 7.163 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.694 5.763 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.418 8.142 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.803 5.783 3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.455 8.195 0.353 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.295 6.951 2.482 1.00 0.00 H new ATOM 1151 N THR A 73 -4.499 9.506 0.362 1.00 0.00 N ATOM 1152 CA THR A 73 -4.456 10.981 0.519 1.00 0.00 C ATOM 1153 C THR A 73 -3.224 11.371 1.383 1.00 0.00 C ATOM 1154 O THR A 73 -3.245 11.297 2.617 1.00 0.00 O ATOM 1155 CB THR A 73 -5.817 11.530 1.011 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.808 11.303 0.012 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.802 13.040 1.199 1.00 0.00 C ATOM 0 H THR A 73 -4.824 9.011 1.192 1.00 0.00 H new ATOM 0 HA THR A 73 -4.311 11.469 -0.445 1.00 0.00 H new ATOM 0 HB THR A 73 -6.022 11.025 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.403 12.080 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.780 13.373 1.545 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.046 13.307 1.937 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.569 13.523 0.250 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.161 11.805 0.698 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.882 12.233 1.321 1.00 0.00 C ATOM 1167 C VAL A 74 -0.570 13.711 0.954 1.00 0.00 C ATOM 1168 O VAL A 74 -0.617 14.117 -0.212 1.00 0.00 O ATOM 1169 CB VAL A 74 0.270 11.244 0.978 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.560 11.066 -0.516 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.610 11.631 1.644 1.00 0.00 C ATOM 0 H VAL A 74 -2.154 11.874 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.981 12.199 2.406 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.116 10.304 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.378 10.358 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.331 10.687 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.839 12.026 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.376 10.906 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.911 12.623 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.489 11.638 2.727 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.206 14.493 1.972 1.00 0.00 N ATOM 1182 CA PHE A 75 0.046 15.947 1.827 1.00 0.00 C ATOM 1183 C PHE A 75 1.552 16.248 1.585 1.00 0.00 C ATOM 1184 O PHE A 75 2.420 15.802 2.342 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.507 16.665 3.088 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.047 16.785 3.066 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.861 15.760 3.577 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.659 17.891 2.459 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.251 15.844 3.484 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.049 17.972 2.362 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.843 16.949 2.875 1.00 0.00 C ATOM 0 H PHE A 75 -0.075 14.147 2.923 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.471 16.326 0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.200 16.117 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.068 17.660 3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.407 14.900 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.048 18.689 2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.868 15.053 3.884 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.509 18.827 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.919 17.012 2.801 1.00 0.00 H new ATOM 1201 N PHE A 76 1.835 17.012 0.524 1.00 0.00 N ATOM 1202 CA PHE A 76 3.213 17.422 0.152 1.00 0.00 C ATOM 1203 C PHE A 76 3.356 18.981 0.226 1.00 0.00 C ATOM 1204 O PHE A 76 2.445 19.717 -0.171 1.00 0.00 O ATOM 1205 CB PHE A 76 3.567 16.947 -1.284 1.00 0.00 C ATOM 1206 CG PHE A 76 3.587 15.426 -1.526 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.342 14.555 -0.722 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.865 14.885 -2.598 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.342 13.181 -0.967 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.895 13.515 -2.865 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.633 12.666 -2.047 1.00 0.00 C ATOM 0 H PHE A 76 1.120 17.370 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 76 3.900 16.956 0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.851 17.392 -1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.548 17.345 -1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.928 14.953 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.277 15.537 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.893 12.517 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.346 13.115 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.656 11.606 -2.251 1.00 0.00 H new ATOM 1221 N GLU A 77 4.509 19.467 0.710 1.00 0.00 N ATOM 1222 CA GLU A 77 4.810 20.937 0.759 1.00 0.00 C ATOM 1223 C GLU A 77 5.296 21.458 -0.628 1.00 0.00 C ATOM 1224 O GLU A 77 4.554 22.154 -1.324 1.00 0.00 O ATOM 1225 CB GLU A 77 5.762 21.119 1.960 1.00 0.00 C ATOM 1226 CG GLU A 77 6.206 22.557 2.277 1.00 0.00 C ATOM 1227 CD GLU A 77 7.038 22.653 3.552 1.00 0.00 C ATOM 1228 OE1 GLU A 77 8.138 22.063 3.627 1.00 0.00 O ATOM 1229 OE2 GLU A 77 6.596 23.294 4.525 1.00 0.00 O ATOM 0 H GLU A 77 5.257 18.879 1.076 1.00 0.00 H new ATOM 0 HA GLU A 77 3.938 21.568 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.275 20.710 2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.654 20.519 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.786 22.946 1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.325 23.191 2.375 1.00 0.00 H new ATOM 1236 N ASN A 78 6.495 21.047 -1.062 1.00 0.00 N ATOM 1237 CA ASN A 78 6.750 20.769 -2.505 1.00 0.00 C ATOM 1238 C ASN A 78 7.299 19.315 -2.591 1.00 0.00 C ATOM 1239 O ASN A 78 6.546 18.402 -2.934 1.00 0.00 O ATOM 1240 CB ASN A 78 7.633 21.863 -3.142 1.00 0.00 C ATOM 1241 CG ASN A 78 7.649 21.844 -4.666 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.915 22.580 -5.307 1.00 0.00 O ATOM 1243 ND2 ASN A 78 8.420 21.014 -5.327 1.00 0.00 N ATOM 0 H ASN A 78 7.301 20.898 -0.455 1.00 0.00 H new ATOM 0 HA ASN A 78 5.842 20.816 -3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.282 22.839 -2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.654 21.748 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.395 20.997 -6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.045 20.386 -4.821 1.00 0.00 H new ATOM 1250 N GLU A 79 8.571 19.100 -2.221 1.00 0.00 N ATOM 1251 CA GLU A 79 9.150 17.744 -2.102 1.00 0.00 C ATOM 1252 C GLU A 79 8.783 17.003 -0.782 1.00 0.00 C ATOM 1253 O GLU A 79 8.555 15.794 -0.830 1.00 0.00 O ATOM 1254 CB GLU A 79 10.699 17.778 -2.252 1.00 0.00 C ATOM 1255 CG GLU A 79 11.267 18.309 -3.579 1.00 0.00 C ATOM 1256 CD GLU A 79 10.710 17.666 -4.829 1.00 0.00 C ATOM 1257 OE1 GLU A 79 11.046 16.505 -5.136 1.00 0.00 O ATOM 1258 OE2 GLU A 79 9.880 18.308 -5.508 1.00 0.00 O ATOM 0 H GLU A 79 9.225 19.850 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 79 8.701 17.180 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.103 18.388 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.075 16.765 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.082 19.382 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.348 18.172 -3.572 1.00 0.00 H new ATOM 1265 N GLN A 80 8.775 17.686 0.379 1.00 0.00 N ATOM 1266 CA GLN A 80 8.725 17.000 1.690 1.00 0.00 C ATOM 1267 C GLN A 80 7.300 16.593 2.125 1.00 0.00 C ATOM 1268 O GLN A 80 6.305 17.271 1.843 1.00 0.00 O ATOM 1269 CB GLN A 80 9.577 17.759 2.729 1.00 0.00 C ATOM 1270 CG GLN A 80 8.975 18.982 3.429 1.00 0.00 C ATOM 1271 CD GLN A 80 8.032 18.680 4.591 1.00 0.00 C ATOM 1272 OE1 GLN A 80 8.135 17.682 5.298 1.00 0.00 O ATOM 1273 NE2 GLN A 80 7.110 19.563 4.871 1.00 0.00 N ATOM 0 H GLN A 80 8.802 18.704 0.439 1.00 0.00 H new ATOM 0 HA GLN A 80 9.200 16.024 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.867 17.047 3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.493 18.081 2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.790 19.604 3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.434 19.572 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.011 20.398 4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 80 6.489 19.417 5.667 1.00 0.00 H new ATOM 1282 N VAL A 81 7.230 15.444 2.800 1.00 0.00 N ATOM 1283 CA VAL A 81 5.955 14.732 3.044 1.00 0.00 C ATOM 1284 C VAL A 81 5.424 15.098 4.464 1.00 0.00 C ATOM 1285 O VAL A 81 6.100 14.872 5.473 1.00 0.00 O ATOM 1286 CB VAL A 81 6.147 13.186 2.885 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.778 12.483 2.851 1.00 0.00 C ATOM 1288 CG2 VAL A 81 6.948 12.746 1.644 1.00 0.00 C ATOM 0 H VAL A 81 8.046 14.976 3.195 1.00 0.00 H new ATOM 0 HA VAL A 81 5.217 15.044 2.305 1.00 0.00 H new ATOM 0 HB VAL A 81 6.736 12.893 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.923 11.408 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.243 12.683 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.197 12.859 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.024 11.659 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.440 13.089 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.948 13.179 1.684 1.00 0.00 H new ATOM 1298 N VAL A 82 4.203 15.640 4.520 1.00 0.00 N ATOM 1299 CA VAL A 82 3.598 16.143 5.785 1.00 0.00 C ATOM 1300 C VAL A 82 2.853 14.994 6.540 1.00 0.00 C ATOM 1301 O VAL A 82 3.264 14.646 7.648 1.00 0.00 O ATOM 1302 CB VAL A 82 2.716 17.408 5.502 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.064 17.988 6.778 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.505 18.569 4.848 1.00 0.00 C ATOM 0 H VAL A 82 3.600 15.748 3.704 1.00 0.00 H new ATOM 0 HA VAL A 82 4.384 16.473 6.464 1.00 0.00 H new ATOM 0 HB VAL A 82 1.954 17.035 4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.467 18.861 6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.423 17.234 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.842 18.279 7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.837 19.413 4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.316 18.875 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.918 18.237 3.896 1.00 0.00 H new ATOM 1314 N ARG A 83 1.763 14.441 5.974 1.00 0.00 N ATOM 1315 CA ARG A 83 0.965 13.371 6.637 1.00 0.00 C ATOM 1316 C ARG A 83 0.101 12.572 5.619 1.00 0.00 C ATOM 1317 O ARG A 83 -0.415 13.135 4.646 1.00 0.00 O ATOM 1318 CB ARG A 83 0.126 13.908 7.831 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.950 14.974 7.552 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.408 14.498 7.659 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.785 13.647 6.508 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.999 13.173 6.271 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -5.027 13.338 7.059 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -4.211 12.492 5.191 1.00 0.00 N ATOM 0 H ARG A 83 1.408 14.713 5.057 1.00 0.00 H new ATOM 0 HA ARG A 83 1.681 12.667 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.365 13.056 8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.819 14.320 8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.805 15.800 8.249 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.790 15.371 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.543 13.940 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.071 15.361 7.708 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.050 13.406 5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.925 13.864 7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.932 12.941 6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.448 12.326 4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.141 12.121 4.996 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.124 11.279 5.894 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.822 10.354 4.969 1.00 0.00 C ATOM 1340 C TRP A 84 -2.005 9.552 5.595 1.00 0.00 C ATOM 1341 O TRP A 84 -1.985 9.182 6.771 1.00 0.00 O ATOM 1342 CB TRP A 84 0.187 9.413 4.282 1.00 0.00 C ATOM 1343 CG TRP A 84 1.108 8.495 5.131 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.784 7.232 5.698 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.469 8.669 5.402 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.894 6.639 6.327 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.924 7.538 6.130 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.391 9.700 5.036 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.301 7.439 6.504 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.723 9.578 5.415 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.175 8.461 6.141 1.00 0.00 C ATOM 0 H TRP A 84 0.171 10.837 6.765 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.293 10.997 4.225 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.379 8.768 3.610 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.834 10.032 3.660 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.197 6.782 5.651 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.930 5.746 6.818 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.057 10.560 4.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.658 6.584 7.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.424 10.355 5.147 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.216 8.395 6.421 1.00 0.00 H new ATOM 1362 N GLU A 85 -3.002 9.250 4.749 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.100 8.299 5.073 1.00 0.00 C ATOM 1364 C GLU A 85 -4.449 7.412 3.834 1.00 0.00 C ATOM 1365 O GLU A 85 -4.450 7.885 2.692 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.332 9.035 5.661 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.193 9.818 4.658 1.00 0.00 C ATOM 1368 CD GLU A 85 -7.216 10.722 5.300 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -6.847 11.822 5.765 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -8.397 10.331 5.386 1.00 0.00 O ATOM 0 H GLU A 85 -3.078 9.655 3.816 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.753 7.623 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.966 8.300 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.985 9.727 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.539 10.418 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.706 9.111 4.006 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.782 6.140 4.079 1.00 0.00 N ATOM 1378 CA GLY A 86 -5.097 5.182 3.001 1.00 0.00 C ATOM 1379 C GLY A 86 -6.359 4.344 3.216 1.00 0.00 C ATOM 1380 O GLY A 86 -6.325 3.376 3.979 1.00 0.00 O ATOM 0 H GLY A 86 -4.842 5.744 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.203 5.734 2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.250 4.507 2.879 1.00 0.00 H new ATOM 1384 N ASP A 87 -7.428 4.643 2.465 1.00 0.00 N ATOM 1385 CA ASP A 87 -8.518 3.663 2.199 1.00 0.00 C ATOM 1386 C ASP A 87 -8.171 2.832 0.925 1.00 0.00 C ATOM 1387 O ASP A 87 -8.457 3.217 -0.210 1.00 0.00 O ATOM 1388 CB ASP A 87 -9.898 4.353 2.193 1.00 0.00 C ATOM 1389 CG ASP A 87 -10.245 5.352 1.099 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -9.472 6.304 0.874 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -11.308 5.196 0.454 1.00 0.00 O ATOM 0 H ASP A 87 -7.571 5.553 2.026 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.593 2.939 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.653 3.567 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.007 4.867 3.148 1.00 0.00 H new ATOM 1396 N TYR A 88 -7.484 1.698 1.112 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.763 1.023 -0.005 1.00 0.00 C ATOM 1398 C TYR A 88 -6.645 -0.525 0.178 1.00 0.00 C ATOM 1399 O TYR A 88 -6.484 -1.037 1.288 1.00 0.00 O ATOM 1400 CB TYR A 88 -5.405 1.707 -0.314 1.00 0.00 C ATOM 1401 CG TYR A 88 -4.328 1.924 0.752 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -4.401 1.413 2.060 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -3.200 2.677 0.398 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -3.403 1.687 2.988 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -2.185 2.925 1.328 1.00 0.00 C ATOM 1406 CZ TYR A 88 -2.302 2.455 2.631 1.00 0.00 C ATOM 1407 OH TYR A 88 -1.400 2.836 3.579 1.00 0.00 O ATOM 0 H TYR A 88 -7.405 1.223 2.011 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.384 1.152 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.940 1.129 -1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.638 2.689 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.243 0.800 2.347 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.114 3.070 -0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.484 1.300 3.993 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.309 3.483 1.033 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.842 3.409 4.240 1.00 0.00 H new ATOM 1667 N GLY A 105 -30.976 -5.703 2.760 1.00 0.00 N ATOM 1668 CA GLY A 105 -30.305 -6.118 4.016 1.00 0.00 C ATOM 1669 C GLY A 105 -29.044 -5.287 4.301 1.00 0.00 C ATOM 1670 O GLY A 105 -29.046 -4.437 5.193 1.00 0.00 O ATOM 0 HA2 GLY A 105 -31.001 -6.017 4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -30.037 -7.172 3.952 1.00 0.00 H new ATOM 1674 N ARG A 106 -27.990 -5.497 3.499 1.00 0.00 N ATOM 1675 CA ARG A 106 -26.781 -4.620 3.507 1.00 0.00 C ATOM 1676 C ARG A 106 -26.982 -3.311 2.674 1.00 0.00 C ATOM 1677 O ARG A 106 -26.359 -3.087 1.632 1.00 0.00 O ATOM 1678 CB ARG A 106 -25.616 -5.550 3.075 1.00 0.00 C ATOM 1679 CG ARG A 106 -24.222 -4.902 2.947 1.00 0.00 C ATOM 1680 CD ARG A 106 -23.727 -4.882 1.489 1.00 0.00 C ATOM 1681 NE ARG A 106 -22.572 -3.965 1.320 1.00 0.00 N ATOM 1682 CZ ARG A 106 -22.658 -2.675 0.999 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -23.789 -2.033 0.862 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -21.553 -2.018 0.810 1.00 0.00 N ATOM 0 H ARG A 106 -27.938 -6.265 2.830 1.00 0.00 H new ATOM 0 HA ARG A 106 -26.556 -4.200 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -25.547 -6.366 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -25.874 -5.994 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -24.259 -3.883 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -23.510 -5.449 3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -23.441 -5.889 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -24.539 -4.571 0.832 1.00 0.00 H new ATOM 0 HE ARG A 106 -21.639 -4.353 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -24.673 -2.522 1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -23.787 -1.044 0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -20.655 -2.491 0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -21.584 -1.029 0.563 1.00 0.00 H new ATOM 1698 N ASN A 107 -27.833 -2.417 3.199 1.00 0.00 N ATOM 1699 CA ASN A 107 -28.235 -1.165 2.508 1.00 0.00 C ATOM 1700 C ASN A 107 -27.293 0.014 2.909 1.00 0.00 C ATOM 1701 O ASN A 107 -27.489 0.685 3.925 1.00 0.00 O ATOM 1702 CB ASN A 107 -29.722 -0.852 2.826 1.00 0.00 C ATOM 1703 CG ASN A 107 -30.714 -1.709 2.047 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -31.012 -2.845 2.398 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -31.246 -1.213 0.956 1.00 0.00 N ATOM 0 H ASN A 107 -28.267 -2.534 4.115 1.00 0.00 H new ATOM 0 HA ASN A 107 -28.137 -1.297 1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -29.893 -0.995 3.893 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -29.916 0.199 2.610 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -31.901 -1.771 0.409 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -31.005 -0.269 0.655 1.00 0.00 H new ATOM 1712 N LEU A 108 -26.261 0.231 2.086 1.00 0.00 N ATOM 1713 CA LEU A 108 -25.269 1.319 2.278 1.00 0.00 C ATOM 1714 C LEU A 108 -24.573 1.591 0.911 1.00 0.00 C ATOM 1715 O LEU A 108 -23.904 0.705 0.357 1.00 0.00 O ATOM 1716 CB LEU A 108 -24.245 0.910 3.375 1.00 0.00 C ATOM 1717 CG LEU A 108 -23.194 1.979 3.757 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -23.810 3.169 4.502 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -22.112 1.338 4.645 1.00 0.00 C ATOM 0 H LEU A 108 -26.081 -0.341 1.261 1.00 0.00 H new ATOM 0 HA LEU A 108 -25.756 2.234 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -24.797 0.635 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -23.719 0.017 3.038 1.00 0.00 H new ATOM 0 HG LEU A 108 -22.764 2.356 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -23.029 3.889 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -24.559 3.646 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -24.281 2.819 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -21.371 2.090 4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -22.572 0.941 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -21.626 0.529 4.100 1.00 0.00 H new ATOM 1731 N ALA A 109 -24.686 2.820 0.383 1.00 0.00 N ATOM 1732 CA ALA A 109 -23.958 3.220 -0.852 1.00 0.00 C ATOM 1733 C ALA A 109 -22.490 3.646 -0.590 1.00 0.00 C ATOM 1734 O ALA A 109 -22.119 4.817 -0.473 1.00 0.00 O ATOM 1735 CB ALA A 109 -24.785 4.276 -1.569 1.00 0.00 C ATOM 0 H ALA A 109 -25.268 3.556 0.782 1.00 0.00 H new ATOM 0 HA ALA A 109 -23.851 2.353 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -24.271 4.585 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -25.760 3.862 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -24.918 5.139 -0.916 1.00 0.00 H new ATOM 1741 N ARG A 110 -21.681 2.594 -0.486 1.00 0.00 N ATOM 1742 CA ARG A 110 -20.247 2.678 -0.136 1.00 0.00 C ATOM 1743 C ARG A 110 -19.502 1.352 -0.504 1.00 0.00 C ATOM 1744 O ARG A 110 -19.990 0.239 -0.274 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.075 3.023 1.369 1.00 0.00 C ATOM 1746 CG ARG A 110 -18.665 3.426 1.843 1.00 0.00 C ATOM 1747 CD ARG A 110 -18.166 4.817 1.424 1.00 0.00 C ATOM 1748 NE ARG A 110 -17.595 4.835 0.053 1.00 0.00 N ATOM 1749 CZ ARG A 110 -17.993 5.604 -0.956 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -19.011 6.425 -0.909 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -17.330 5.505 -2.067 1.00 0.00 N ATOM 0 H ARG A 110 -22.000 1.638 -0.644 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.796 3.480 -0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.758 3.838 1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.393 2.159 1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -18.644 3.371 2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -17.957 2.685 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -18.992 5.526 1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -17.409 5.155 2.132 1.00 0.00 H new ATOM 0 HE ARG A 110 -16.823 4.195 -0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -19.561 6.507 -0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -19.254 6.983 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -16.544 4.859 -2.136 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -17.595 6.073 -2.871 1.00 0.00 H new ATOM 1765 N ASP A 111 -18.281 1.528 -1.007 1.00 0.00 N ATOM 1766 CA ASP A 111 -17.237 0.477 -1.095 1.00 0.00 C ATOM 1767 C ASP A 111 -16.760 -0.155 0.259 1.00 0.00 C ATOM 1768 O ASP A 111 -17.170 0.251 1.350 1.00 0.00 O ATOM 1769 CB ASP A 111 -16.073 1.127 -1.907 1.00 0.00 C ATOM 1770 CG ASP A 111 -15.368 2.317 -1.258 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -14.490 2.117 -0.396 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -15.680 3.475 -1.605 1.00 0.00 O ATOM 0 H ASP A 111 -17.970 2.426 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.658 -0.401 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.327 0.358 -2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.468 1.449 -2.871 1.00 0.00 H new ATOM 1777 N LYS A 112 -15.867 -1.157 0.169 1.00 0.00 N ATOM 1778 CA LYS A 112 -15.054 -1.585 1.341 1.00 0.00 C ATOM 1779 C LYS A 112 -13.642 -2.030 0.860 1.00 0.00 C ATOM 1780 O LYS A 112 -13.377 -3.209 0.610 1.00 0.00 O ATOM 1781 CB LYS A 112 -15.803 -2.645 2.193 1.00 0.00 C ATOM 1782 CG LYS A 112 -15.337 -2.735 3.668 1.00 0.00 C ATOM 1783 CD LYS A 112 -14.114 -3.629 3.912 1.00 0.00 C ATOM 1784 CE LYS A 112 -13.403 -3.394 5.262 1.00 0.00 C ATOM 1785 NZ LYS A 112 -14.201 -3.853 6.433 1.00 0.00 N ATOM 0 H LYS A 112 -15.685 -1.684 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 112 -14.904 -0.743 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -16.869 -2.418 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -15.677 -3.622 1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -15.109 -1.730 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -16.165 -3.106 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -14.427 -4.672 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -13.397 -3.469 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -12.445 -3.915 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.187 -2.331 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -13.671 -3.668 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -15.105 -3.339 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -14.386 -4.873 6.349 1.00 0.00 H new