USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 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 36 SER OG : rot -42:sc= 2.22 USER MOD Set 1.2: A 43 SER OG : rot -83:sc= 1.06 USER MOD Set 2.1: A 30 GLN : amide:sc= 0.845 K(o=2.4,f=-1.9!) USER MOD Set 2.2: A 31 SER OG : rot 59:sc= 1.36 USER MOD Set 2.3: A 34 GLN : amide:sc= 0.235 X(o=2.4,f=2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.69 K(o=0.69,f=0) USER MOD Single : A 25 GLN : amide:sc= 1.15 K(o=1.2,f=-0.057) USER MOD Single : A 27 GLN : amide:sc=-0.00178 X(o=-0.0018,f=-0.0018) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.12) USER MOD Single : A 33 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 41 THR OG1 : rot -12:sc= 0.952 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Single : A 55 TYR OH : rot 175:sc= 1.26 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.174 X(o=0.17,f=-0.034) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0.666 K(o=0.67,f=-3.6!) USER MOD Single : A 80 GLN : amide:sc= 1.11 K(o=1.1,f=-0.051) USER MOD Single : A 88 TYR OH : rot -100:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 3.160 -1.312 -2.076 1.00 0.00 N ATOM 265 CA ILE A 18 1.883 -0.961 -1.375 1.00 0.00 C ATOM 266 C ILE A 18 1.640 -2.048 -0.292 1.00 0.00 C ATOM 267 O ILE A 18 1.260 -3.183 -0.588 1.00 0.00 O ATOM 268 CB ILE A 18 0.777 -0.785 -2.465 1.00 0.00 C ATOM 269 CG1 ILE A 18 0.925 0.612 -3.155 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.670 -1.025 -2.010 1.00 0.00 C ATOM 271 CD1 ILE A 18 0.331 1.822 -2.435 1.00 0.00 C ATOM 0 HA ILE A 18 1.897 -0.014 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 18 0.958 -1.589 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.988 0.800 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.467 0.550 -4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.346 -0.874 -2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.771 -2.046 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.921 -0.326 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.507 2.720 -3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.742 1.678 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.803 1.932 -1.459 1.00 0.00 H new ATOM 283 N LYS A 19 1.944 -1.692 0.966 1.00 0.00 N ATOM 284 CA LYS A 19 2.096 -2.679 2.067 1.00 0.00 C ATOM 285 C LYS A 19 1.639 -2.012 3.389 1.00 0.00 C ATOM 286 O LYS A 19 2.364 -1.195 3.966 1.00 0.00 O ATOM 287 CB LYS A 19 3.578 -3.117 2.057 1.00 0.00 C ATOM 288 CG LYS A 19 3.988 -4.249 3.012 1.00 0.00 C ATOM 289 CD LYS A 19 3.428 -5.615 2.587 1.00 0.00 C ATOM 290 CE LYS A 19 3.900 -6.812 3.429 1.00 0.00 C ATOM 291 NZ LYS A 19 5.314 -7.178 3.129 1.00 0.00 N ATOM 0 H LYS A 19 2.092 -0.725 1.255 1.00 0.00 H new ATOM 0 HA LYS A 19 1.479 -3.570 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.831 -3.424 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.189 -2.244 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.076 -4.305 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.639 -4.015 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.340 -5.571 2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.702 -5.793 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.804 -6.572 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.254 -7.669 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.595 -7.989 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.401 -7.432 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.934 -6.369 3.337 1.00 0.00 H new ATOM 305 N GLN A 20 0.426 -2.335 3.860 1.00 0.00 N ATOM 306 CA GLN A 20 -0.260 -1.588 4.966 1.00 0.00 C ATOM 307 C GLN A 20 0.224 -1.931 6.425 1.00 0.00 C ATOM 308 O GLN A 20 -0.551 -2.258 7.324 1.00 0.00 O ATOM 309 CB GLN A 20 -1.779 -1.808 4.736 1.00 0.00 C ATOM 310 CG GLN A 20 -2.691 -0.696 5.306 1.00 0.00 C ATOM 311 CD GLN A 20 -4.120 -0.787 4.761 1.00 0.00 C ATOM 312 OE1 GLN A 20 -4.756 -1.837 4.771 1.00 0.00 O ATOM 313 NE2 GLN A 20 -4.671 0.284 4.244 1.00 0.00 N ATOM 0 H GLN A 20 -0.120 -3.117 3.497 1.00 0.00 H new ATOM 0 HA GLN A 20 0.004 -0.532 4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.961 -1.894 3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.066 -2.759 5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.713 -0.768 6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.271 0.279 5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.157 1.165 4.228 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.614 0.237 3.858 1.00 0.00 H new ATOM 322 N ASN A 21 1.538 -1.799 6.607 1.00 0.00 N ATOM 323 CA ASN A 21 2.270 -1.932 7.893 1.00 0.00 C ATOM 324 C ASN A 21 3.700 -1.323 7.699 1.00 0.00 C ATOM 325 O ASN A 21 4.048 -0.396 8.425 1.00 0.00 O ATOM 326 CB ASN A 21 2.258 -3.371 8.440 1.00 0.00 C ATOM 327 CG ASN A 21 3.017 -3.636 9.736 1.00 0.00 C ATOM 328 OD1 ASN A 21 3.843 -4.540 9.798 1.00 0.00 O ATOM 329 ND2 ASN A 21 2.788 -2.918 10.813 1.00 0.00 N ATOM 0 H ASN A 21 2.164 -1.586 5.830 1.00 0.00 H new ATOM 0 HA ASN A 21 1.761 -1.369 8.675 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.219 -3.665 8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.666 -4.027 7.671 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.293 -3.118 11.676 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.105 -2.161 10.785 1.00 0.00 H new ATOM 336 N ALA A 22 4.496 -1.770 6.702 1.00 0.00 N ATOM 337 CA ALA A 22 5.705 -1.027 6.254 1.00 0.00 C ATOM 338 C ALA A 22 5.484 0.447 5.772 1.00 0.00 C ATOM 339 O ALA A 22 6.287 1.312 6.120 1.00 0.00 O ATOM 340 CB ALA A 22 6.386 -1.873 5.168 1.00 0.00 C ATOM 0 H ALA A 22 4.328 -2.637 6.192 1.00 0.00 H new ATOM 0 HA ALA A 22 6.334 -0.892 7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.280 -1.359 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.665 -2.842 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.697 -2.019 4.336 1.00 0.00 H new ATOM 346 N VAL A 23 4.398 0.737 5.037 1.00 0.00 N ATOM 347 CA VAL A 23 3.981 2.138 4.707 1.00 0.00 C ATOM 348 C VAL A 23 3.500 2.970 5.949 1.00 0.00 C ATOM 349 O VAL A 23 3.876 4.135 6.075 1.00 0.00 O ATOM 350 CB VAL A 23 2.944 2.140 3.536 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.537 3.571 3.110 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.479 1.430 2.268 1.00 0.00 C ATOM 0 H VAL A 23 3.779 0.024 4.651 1.00 0.00 H new ATOM 0 HA VAL A 23 4.875 2.661 4.367 1.00 0.00 H new ATOM 0 HB VAL A 23 2.083 1.603 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.816 3.517 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.088 4.089 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.420 4.117 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.720 1.460 1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.379 1.937 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.715 0.393 2.504 1.00 0.00 H new ATOM 362 N GLU A 24 2.716 2.384 6.858 1.00 0.00 N ATOM 363 CA GLU A 24 2.517 2.921 8.241 1.00 0.00 C ATOM 364 C GLU A 24 3.816 3.195 9.067 1.00 0.00 C ATOM 365 O GLU A 24 3.958 4.286 9.623 1.00 0.00 O ATOM 366 CB GLU A 24 1.470 1.958 8.846 1.00 0.00 C ATOM 367 CG GLU A 24 1.188 1.992 10.354 1.00 0.00 C ATOM 368 CD GLU A 24 1.999 0.986 11.164 1.00 0.00 C ATOM 369 OE1 GLU A 24 1.851 -0.238 10.943 1.00 0.00 O ATOM 370 OE2 GLU A 24 2.780 1.416 12.035 1.00 0.00 O ATOM 0 H GLU A 24 2.195 1.526 6.674 1.00 0.00 H new ATOM 0 HA GLU A 24 2.152 3.948 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.525 2.141 8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.778 0.943 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.395 2.994 10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.127 1.803 10.518 1.00 0.00 H new ATOM 377 N GLN A 25 4.768 2.253 9.091 1.00 0.00 N ATOM 378 CA GLN A 25 6.047 2.397 9.829 1.00 0.00 C ATOM 379 C GLN A 25 7.151 3.308 9.185 1.00 0.00 C ATOM 380 O GLN A 25 7.980 3.814 9.943 1.00 0.00 O ATOM 381 CB GLN A 25 6.644 0.978 10.070 1.00 0.00 C ATOM 382 CG GLN A 25 5.904 0.096 11.099 1.00 0.00 C ATOM 383 CD GLN A 25 6.154 0.467 12.553 1.00 0.00 C ATOM 384 OE1 GLN A 25 7.216 0.210 13.111 1.00 0.00 O ATOM 385 NE2 GLN A 25 5.205 1.065 13.228 1.00 0.00 N ATOM 0 H GLN A 25 4.680 1.363 8.600 1.00 0.00 H new ATOM 0 HA GLN A 25 5.773 2.918 10.747 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.666 0.449 9.117 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.678 1.091 10.396 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.833 0.154 10.903 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.201 -0.942 10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.318 1.284 12.775 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.353 1.312 14.207 1.00 0.00 H new ATOM 394 N LEU A 26 7.200 3.499 7.849 1.00 0.00 N ATOM 395 CA LEU A 26 8.344 4.185 7.170 1.00 0.00 C ATOM 396 C LEU A 26 8.773 5.614 7.618 1.00 0.00 C ATOM 397 O LEU A 26 9.958 5.932 7.499 1.00 0.00 O ATOM 398 CB LEU A 26 8.272 4.009 5.627 1.00 0.00 C ATOM 399 CG LEU A 26 7.094 4.594 4.828 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.125 6.109 4.632 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.057 3.958 3.418 1.00 0.00 C ATOM 0 H LEU A 26 6.466 3.192 7.211 1.00 0.00 H new ATOM 0 HA LEU A 26 9.196 3.635 7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.185 4.435 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.298 2.938 5.424 1.00 0.00 H new ATOM 0 HG LEU A 26 6.214 4.363 5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.252 6.419 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.114 6.602 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.031 6.388 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.222 4.373 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.990 4.173 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.933 2.879 3.509 1.00 0.00 H new ATOM 413 N GLN A 27 7.847 6.444 8.134 1.00 0.00 N ATOM 414 CA GLN A 27 8.169 7.750 8.799 1.00 0.00 C ATOM 415 C GLN A 27 9.082 8.758 8.021 1.00 0.00 C ATOM 416 O GLN A 27 10.005 9.362 8.572 1.00 0.00 O ATOM 417 CB GLN A 27 8.564 7.441 10.266 1.00 0.00 C ATOM 418 CG GLN A 27 8.687 8.617 11.253 1.00 0.00 C ATOM 419 CD GLN A 27 7.465 9.505 11.410 1.00 0.00 C ATOM 420 OE1 GLN A 27 6.531 9.207 12.144 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.423 10.629 10.733 1.00 0.00 N ATOM 0 H GLN A 27 6.848 6.240 8.108 1.00 0.00 H new ATOM 0 HA GLN A 27 7.270 8.366 8.790 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.828 6.745 10.669 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.521 6.919 10.250 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.943 8.214 12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.523 9.241 10.937 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.197 10.884 10.120 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.616 11.247 10.820 1.00 0.00 H new ATOM 430 N VAL A 28 8.760 8.983 6.741 1.00 0.00 N ATOM 431 CA VAL A 28 9.513 9.920 5.859 1.00 0.00 C ATOM 432 C VAL A 28 8.819 11.320 5.908 1.00 0.00 C ATOM 433 O VAL A 28 7.638 11.442 5.576 1.00 0.00 O ATOM 434 CB VAL A 28 9.590 9.329 4.408 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.223 10.297 3.380 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.429 8.026 4.351 1.00 0.00 C ATOM 0 H VAL A 28 7.974 8.528 6.277 1.00 0.00 H new ATOM 0 HA VAL A 28 10.539 10.045 6.204 1.00 0.00 H new ATOM 0 HB VAL A 28 8.548 9.142 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.244 9.823 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.631 11.211 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.240 10.540 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.454 7.654 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.445 8.233 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.978 7.274 4.999 1.00 0.00 H new ATOM 446 N GLY A 29 9.583 12.358 6.273 1.00 0.00 N ATOM 447 CA GLY A 29 9.135 13.772 6.169 1.00 0.00 C ATOM 448 C GLY A 29 10.101 14.674 5.376 1.00 0.00 C ATOM 449 O GLY A 29 10.559 15.691 5.893 1.00 0.00 O ATOM 0 H GLY A 29 10.526 12.253 6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.155 13.799 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.013 14.180 7.173 1.00 0.00 H new ATOM 453 N GLN A 30 10.421 14.272 4.134 1.00 0.00 N ATOM 454 CA GLN A 30 11.598 14.816 3.395 1.00 0.00 C ATOM 455 C GLN A 30 11.406 14.847 1.846 1.00 0.00 C ATOM 456 O GLN A 30 11.700 15.886 1.252 1.00 0.00 O ATOM 457 CB GLN A 30 12.856 14.021 3.843 1.00 0.00 C ATOM 458 CG GLN A 30 14.223 14.645 3.493 1.00 0.00 C ATOM 459 CD GLN A 30 14.675 14.499 2.049 1.00 0.00 C ATOM 460 OE1 GLN A 30 14.495 13.467 1.409 1.00 0.00 O ATOM 461 NE2 GLN A 30 15.265 15.514 1.469 1.00 0.00 N ATOM 0 H GLN A 30 9.889 13.575 3.613 1.00 0.00 H new ATOM 0 HA GLN A 30 11.724 15.868 3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.808 13.887 4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.809 13.028 3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.187 15.707 3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.980 14.196 4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.421 16.378 1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.568 15.441 0.498 1.00 0.00 H new ATOM 470 N SER A 31 10.977 13.746 1.202 1.00 0.00 N ATOM 471 CA SER A 31 10.864 13.669 -0.276 1.00 0.00 C ATOM 472 C SER A 31 9.482 13.111 -0.746 1.00 0.00 C ATOM 473 O SER A 31 8.968 12.134 -0.193 1.00 0.00 O ATOM 474 CB SER A 31 11.986 12.751 -0.834 1.00 0.00 C ATOM 475 OG SER A 31 13.268 13.373 -0.793 1.00 0.00 O ATOM 0 H SER A 31 10.700 12.889 1.681 1.00 0.00 H new ATOM 0 HA SER A 31 10.961 14.686 -0.657 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.015 11.826 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.750 12.478 -1.863 1.00 0.00 H new ATOM 0 HG SER A 31 13.487 13.611 0.132 1.00 0.00 H new ATOM 481 N LYS A 32 8.951 13.697 -1.833 1.00 0.00 N ATOM 482 CA LYS A 32 7.835 13.109 -2.608 1.00 0.00 C ATOM 483 C LYS A 32 8.265 11.989 -3.595 1.00 0.00 C ATOM 484 O LYS A 32 7.633 10.933 -3.626 1.00 0.00 O ATOM 485 CB LYS A 32 6.930 14.188 -3.261 1.00 0.00 C ATOM 486 CG LYS A 32 7.441 14.957 -4.486 1.00 0.00 C ATOM 487 CD LYS A 32 6.373 15.240 -5.555 1.00 0.00 C ATOM 488 CE LYS A 32 5.660 16.590 -5.434 1.00 0.00 C ATOM 489 NZ LYS A 32 4.727 16.666 -4.284 1.00 0.00 N ATOM 0 H LYS A 32 9.280 14.589 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 32 7.216 12.596 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.996 13.704 -3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.688 14.921 -2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.863 15.905 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.252 14.390 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.843 15.184 -6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.625 14.449 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.406 17.379 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.107 16.784 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.595 17.660 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.810 16.256 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.121 16.135 -3.482 1.00 0.00 H new ATOM 503 N GLN A 33 9.330 12.213 -4.380 1.00 0.00 N ATOM 504 CA GLN A 33 9.820 11.246 -5.392 1.00 0.00 C ATOM 505 C GLN A 33 10.422 9.919 -4.862 1.00 0.00 C ATOM 506 O GLN A 33 10.264 8.896 -5.527 1.00 0.00 O ATOM 507 CB GLN A 33 10.727 11.999 -6.396 1.00 0.00 C ATOM 508 CG GLN A 33 12.041 12.594 -5.845 1.00 0.00 C ATOM 509 CD GLN A 33 12.758 13.484 -6.851 1.00 0.00 C ATOM 510 OE1 GLN A 33 13.596 13.036 -7.626 1.00 0.00 O ATOM 511 NE2 GLN A 33 12.469 14.764 -6.882 1.00 0.00 N ATOM 0 H GLN A 33 9.881 13.070 -4.336 1.00 0.00 H new ATOM 0 HA GLN A 33 8.940 10.860 -5.906 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.979 11.313 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.146 12.810 -6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.823 13.172 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.705 11.782 -5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.773 15.145 -6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.940 15.377 -7.547 1.00 0.00 H new ATOM 520 N GLN A 34 11.030 9.910 -3.663 1.00 0.00 N ATOM 521 CA GLN A 34 11.393 8.653 -2.963 1.00 0.00 C ATOM 522 C GLN A 34 10.152 7.842 -2.465 1.00 0.00 C ATOM 523 O GLN A 34 10.024 6.681 -2.853 1.00 0.00 O ATOM 524 CB GLN A 34 12.380 8.932 -1.802 1.00 0.00 C ATOM 525 CG GLN A 34 13.766 9.446 -2.249 1.00 0.00 C ATOM 526 CD GLN A 34 14.739 9.619 -1.089 1.00 0.00 C ATOM 527 OE1 GLN A 34 15.325 8.664 -0.591 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.957 10.822 -0.618 1.00 0.00 N ATOM 0 H GLN A 34 11.283 10.757 -3.153 1.00 0.00 H new ATOM 0 HA GLN A 34 11.890 8.023 -3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.934 9.666 -1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.514 8.015 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.190 8.749 -2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.646 10.401 -2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.475 11.624 -1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.609 10.957 0.155 1.00 0.00 H new ATOM 537 N VAL A 35 9.230 8.431 -1.677 1.00 0.00 N ATOM 538 CA VAL A 35 7.972 7.732 -1.263 1.00 0.00 C ATOM 539 C VAL A 35 7.024 7.315 -2.432 1.00 0.00 C ATOM 540 O VAL A 35 6.537 6.184 -2.426 1.00 0.00 O ATOM 541 CB VAL A 35 7.297 8.512 -0.092 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.572 9.805 -0.489 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.313 7.630 0.704 1.00 0.00 C ATOM 0 H VAL A 35 9.321 9.379 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 35 8.252 6.751 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 35 8.147 8.799 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.140 10.267 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.281 10.494 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.779 9.574 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.868 8.216 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.527 7.270 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.847 6.780 1.127 1.00 0.00 H new ATOM 553 N SER A 36 6.812 8.174 -3.441 1.00 0.00 N ATOM 554 CA SER A 36 6.033 7.819 -4.659 1.00 0.00 C ATOM 555 C SER A 36 6.683 6.777 -5.614 1.00 0.00 C ATOM 556 O SER A 36 5.949 5.955 -6.165 1.00 0.00 O ATOM 557 CB SER A 36 5.675 9.145 -5.377 1.00 0.00 C ATOM 558 OG SER A 36 4.555 9.014 -6.247 1.00 0.00 O ATOM 0 H SER A 36 7.169 9.130 -3.446 1.00 0.00 H new ATOM 0 HA SER A 36 5.140 7.285 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.463 9.911 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.537 9.487 -5.950 1.00 0.00 H new ATOM 0 HG SER A 36 4.619 8.168 -6.738 1.00 0.00 H new ATOM 564 N ALA A 37 8.017 6.748 -5.775 1.00 0.00 N ATOM 565 CA ALA A 37 8.718 5.591 -6.390 1.00 0.00 C ATOM 566 C ALA A 37 8.706 4.265 -5.560 1.00 0.00 C ATOM 567 O ALA A 37 8.440 3.210 -6.139 1.00 0.00 O ATOM 568 CB ALA A 37 10.155 6.031 -6.703 1.00 0.00 C ATOM 0 H ALA A 37 8.636 7.507 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 37 8.163 5.327 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.699 5.202 -7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.135 6.874 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.653 6.330 -5.781 1.00 0.00 H new ATOM 574 N LEU A 38 8.952 4.318 -4.238 1.00 0.00 N ATOM 575 CA LEU A 38 8.822 3.135 -3.338 1.00 0.00 C ATOM 576 C LEU A 38 7.377 2.551 -3.188 1.00 0.00 C ATOM 577 O LEU A 38 7.236 1.331 -3.128 1.00 0.00 O ATOM 578 CB LEU A 38 9.431 3.457 -1.945 1.00 0.00 C ATOM 579 CG LEU A 38 10.927 3.110 -1.760 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.882 3.907 -2.650 1.00 0.00 C ATOM 581 CD2 LEU A 38 11.316 3.352 -0.286 1.00 0.00 C ATOM 0 H LEU A 38 9.244 5.169 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 38 9.384 2.341 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.299 4.521 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.858 2.921 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 38 11.032 2.066 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.908 3.597 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.643 3.722 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.777 4.971 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.369 3.111 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.146 4.398 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.708 2.718 0.360 1.00 0.00 H new ATOM 593 N LEU A 39 6.333 3.382 -3.158 1.00 0.00 N ATOM 594 CA LEU A 39 4.930 2.929 -3.356 1.00 0.00 C ATOM 595 C LEU A 39 4.574 2.447 -4.807 1.00 0.00 C ATOM 596 O LEU A 39 3.832 1.474 -4.953 1.00 0.00 O ATOM 597 CB LEU A 39 4.003 4.104 -2.937 1.00 0.00 C ATOM 598 CG LEU A 39 3.975 4.384 -1.418 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.346 5.752 -1.139 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.181 3.336 -0.640 1.00 0.00 C ATOM 0 H LEU A 39 6.422 4.385 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 39 4.789 2.040 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.325 5.007 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.989 3.888 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 39 5.013 4.354 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.334 5.934 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.931 6.529 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.325 5.768 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.195 3.583 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.151 3.322 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.630 2.354 -0.790 1.00 0.00 H new ATOM 612 N GLY A 40 5.087 3.126 -5.840 1.00 0.00 N ATOM 613 CA GLY A 40 4.856 2.763 -7.254 1.00 0.00 C ATOM 614 C GLY A 40 3.825 3.652 -7.956 1.00 0.00 C ATOM 615 O GLY A 40 2.720 3.201 -8.268 1.00 0.00 O ATOM 0 H GLY A 40 5.679 3.949 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.801 2.821 -7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.523 1.726 -7.304 1.00 0.00 H new ATOM 619 N THR A 41 4.164 4.928 -8.179 1.00 0.00 N ATOM 620 CA THR A 41 3.243 5.918 -8.809 1.00 0.00 C ATOM 621 C THR A 41 4.087 7.153 -9.278 1.00 0.00 C ATOM 622 O THR A 41 4.712 7.788 -8.417 1.00 0.00 O ATOM 623 CB THR A 41 2.110 6.359 -7.827 1.00 0.00 C ATOM 624 OG1 THR A 41 1.328 5.230 -7.443 1.00 0.00 O ATOM 625 CG2 THR A 41 1.110 7.360 -8.398 1.00 0.00 C ATOM 0 H THR A 41 5.076 5.314 -7.934 1.00 0.00 H new ATOM 0 HA THR A 41 2.752 5.455 -9.665 1.00 0.00 H new ATOM 0 HB THR A 41 2.648 6.828 -7.003 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.549 4.468 -8.018 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.365 7.602 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.634 8.268 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.616 6.925 -9.267 1.00 0.00 H new ATOM 633 N PRO A 42 4.083 7.593 -10.566 1.00 0.00 N ATOM 634 CA PRO A 42 4.646 8.928 -10.962 1.00 0.00 C ATOM 635 C PRO A 42 3.644 10.084 -10.675 1.00 0.00 C ATOM 636 O PRO A 42 2.865 10.501 -11.536 1.00 0.00 O ATOM 637 CB PRO A 42 4.946 8.683 -12.463 1.00 0.00 C ATOM 638 CG PRO A 42 3.823 7.727 -12.930 1.00 0.00 C ATOM 639 CD PRO A 42 3.573 6.814 -11.716 1.00 0.00 C ATOM 0 HA PRO A 42 5.526 9.253 -10.407 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.934 9.615 -13.028 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.931 8.238 -12.604 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.923 8.276 -13.207 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.128 7.152 -13.804 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.514 6.583 -11.603 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.097 5.864 -11.817 1.00 0.00 H new ATOM 647 N SER A 43 3.636 10.550 -9.417 1.00 0.00 N ATOM 648 CA SER A 43 2.500 11.332 -8.868 1.00 0.00 C ATOM 649 C SER A 43 2.393 12.805 -9.330 1.00 0.00 C ATOM 650 O SER A 43 1.485 13.118 -10.107 1.00 0.00 O ATOM 651 CB SER A 43 2.422 11.129 -7.332 1.00 0.00 C ATOM 652 OG SER A 43 3.633 11.438 -6.635 1.00 0.00 O ATOM 0 H SER A 43 4.399 10.403 -8.756 1.00 0.00 H new ATOM 0 HA SER A 43 1.597 10.920 -9.318 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.619 11.751 -6.935 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.153 10.093 -7.127 1.00 0.00 H new ATOM 0 HG SER A 43 4.241 10.670 -6.679 1.00 0.00 H new ATOM 658 N ILE A 44 3.261 13.703 -8.841 1.00 0.00 N ATOM 659 CA ILE A 44 3.224 15.149 -9.210 1.00 0.00 C ATOM 660 C ILE A 44 4.698 15.575 -9.554 1.00 0.00 C ATOM 661 O ILE A 44 5.424 15.968 -8.635 1.00 0.00 O ATOM 662 CB ILE A 44 2.549 16.044 -8.101 1.00 0.00 C ATOM 663 CG1 ILE A 44 1.070 15.641 -7.836 1.00 0.00 C ATOM 664 CG2 ILE A 44 2.571 17.541 -8.513 1.00 0.00 C ATOM 665 CD1 ILE A 44 0.449 16.283 -6.598 1.00 0.00 C ATOM 0 H ILE A 44 4.005 13.464 -8.185 1.00 0.00 H new ATOM 0 HA ILE A 44 2.588 15.304 -10.081 1.00 0.00 H new ATOM 0 HB ILE A 44 3.129 15.887 -7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.472 15.909 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.015 14.557 -7.734 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.100 18.140 -7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.603 17.866 -8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.026 17.669 -9.448 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.582 15.946 -6.492 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.018 15.995 -5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.467 17.368 -6.703 1.00 0.00 H new ATOM 677 N PRO A 45 5.175 15.548 -10.829 1.00 0.00 N ATOM 678 CA PRO A 45 6.571 15.982 -11.170 1.00 0.00 C ATOM 679 C PRO A 45 6.707 17.511 -11.423 1.00 0.00 C ATOM 680 O PRO A 45 6.783 17.969 -12.567 1.00 0.00 O ATOM 681 CB PRO A 45 6.863 15.082 -12.401 1.00 0.00 C ATOM 682 CG PRO A 45 5.496 14.932 -13.108 1.00 0.00 C ATOM 683 CD PRO A 45 4.486 14.868 -11.950 1.00 0.00 C ATOM 0 HA PRO A 45 7.295 15.856 -10.365 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.602 15.539 -13.060 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.261 14.113 -12.098 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.293 15.775 -13.769 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.460 14.031 -13.720 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.553 15.370 -12.207 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.235 13.838 -11.697 1.00 0.00 H new ATOM 691 N ASP A 46 6.760 18.284 -10.329 1.00 0.00 N ATOM 692 CA ASP A 46 6.911 19.761 -10.371 1.00 0.00 C ATOM 693 C ASP A 46 8.009 20.238 -9.349 1.00 0.00 C ATOM 694 O ASP A 46 7.924 19.895 -8.163 1.00 0.00 O ATOM 695 CB ASP A 46 5.523 20.419 -10.162 1.00 0.00 C ATOM 696 CG ASP A 46 5.536 21.944 -10.030 1.00 0.00 C ATOM 697 OD1 ASP A 46 6.171 22.613 -10.873 1.00 0.00 O ATOM 698 OD2 ASP A 46 4.971 22.482 -9.052 1.00 0.00 O ATOM 0 H ASP A 46 6.700 17.909 -9.382 1.00 0.00 H new ATOM 0 HA ASP A 46 7.271 20.082 -11.348 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.881 20.149 -11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.070 19.997 -9.265 1.00 0.00 H new ATOM 703 N PRO A 47 9.002 21.080 -9.733 1.00 0.00 N ATOM 704 CA PRO A 47 9.816 21.870 -8.758 1.00 0.00 C ATOM 705 C PRO A 47 9.247 23.235 -8.251 1.00 0.00 C ATOM 706 O PRO A 47 9.881 23.826 -7.374 1.00 0.00 O ATOM 707 CB PRO A 47 11.116 22.069 -9.592 1.00 0.00 C ATOM 708 CG PRO A 47 10.605 22.267 -11.041 1.00 0.00 C ATOM 709 CD PRO A 47 9.398 21.318 -11.140 1.00 0.00 C ATOM 0 HA PRO A 47 9.897 21.348 -7.805 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.683 22.934 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.775 21.204 -9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.316 23.302 -11.225 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.372 22.015 -11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.585 21.767 -11.711 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.664 20.387 -11.641 1.00 0.00 H new ATOM 717 N PHE A 48 8.124 23.753 -8.784 1.00 0.00 N ATOM 718 CA PHE A 48 7.604 25.101 -8.427 1.00 0.00 C ATOM 719 C PHE A 48 6.817 25.126 -7.087 1.00 0.00 C ATOM 720 O PHE A 48 7.312 25.721 -6.126 1.00 0.00 O ATOM 721 CB PHE A 48 6.834 25.638 -9.661 1.00 0.00 C ATOM 722 CG PHE A 48 6.399 27.108 -9.560 1.00 0.00 C ATOM 723 CD1 PHE A 48 7.297 28.145 -9.860 1.00 0.00 C ATOM 724 CD2 PHE A 48 5.096 27.440 -9.155 1.00 0.00 C ATOM 725 CE1 PHE A 48 6.902 29.480 -9.752 1.00 0.00 C ATOM 726 CE2 PHE A 48 4.703 28.775 -9.045 1.00 0.00 C ATOM 727 CZ PHE A 48 5.606 29.792 -9.344 1.00 0.00 C ATOM 0 H PHE A 48 7.551 23.260 -9.469 1.00 0.00 H new ATOM 0 HA PHE A 48 8.425 25.784 -8.209 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.463 25.520 -10.544 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.948 25.022 -9.815 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.302 27.908 -10.177 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.391 26.655 -8.926 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.600 30.270 -9.984 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.700 29.019 -8.728 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.302 30.825 -9.260 1.00 0.00 H new ATOM 737 N HIS A 49 5.608 24.534 -7.011 1.00 0.00 N ATOM 738 CA HIS A 49 4.871 24.410 -5.717 1.00 0.00 C ATOM 739 C HIS A 49 3.982 23.132 -5.745 1.00 0.00 C ATOM 740 O HIS A 49 2.752 23.183 -5.875 1.00 0.00 O ATOM 741 CB HIS A 49 4.102 25.718 -5.434 1.00 0.00 C ATOM 742 CG HIS A 49 3.499 25.876 -4.019 1.00 0.00 C ATOM 743 ND1 HIS A 49 2.618 26.902 -3.741 1.00 0.00 N ATOM 744 CD2 HIS A 49 3.706 25.113 -2.834 1.00 0.00 C ATOM 745 CE1 HIS A 49 2.361 26.667 -2.418 1.00 0.00 C ATOM 746 NE2 HIS A 49 2.963 25.615 -1.780 1.00 0.00 N ATOM 0 H HIS A 49 5.119 24.136 -7.813 1.00 0.00 H new ATOM 0 HA HIS A 49 5.558 24.279 -4.881 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.777 26.555 -5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.293 25.801 -6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.358 24.255 -2.767 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.684 27.311 -1.877 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.886 25.296 -0.814 1.00 0.00 H new ATOM 754 N ALA A 50 4.642 21.979 -5.606 1.00 0.00 N ATOM 755 CA ALA A 50 4.040 20.673 -5.934 1.00 0.00 C ATOM 756 C ALA A 50 3.374 20.003 -4.714 1.00 0.00 C ATOM 757 O ALA A 50 3.994 19.266 -3.942 1.00 0.00 O ATOM 758 CB ALA A 50 5.207 19.870 -6.510 1.00 0.00 C ATOM 0 H ALA A 50 5.602 21.918 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 50 3.216 20.755 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.862 18.874 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.598 20.378 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.995 19.785 -5.761 1.00 0.00 H new ATOM 764 N GLN A 51 2.081 20.278 -4.554 1.00 0.00 N ATOM 765 CA GLN A 51 1.364 20.019 -3.273 1.00 0.00 C ATOM 766 C GLN A 51 0.866 18.541 -3.157 1.00 0.00 C ATOM 767 O GLN A 51 1.529 17.609 -3.623 1.00 0.00 O ATOM 768 CB GLN A 51 0.309 21.159 -3.170 1.00 0.00 C ATOM 769 CG GLN A 51 0.934 22.547 -2.858 1.00 0.00 C ATOM 770 CD GLN A 51 0.059 23.712 -3.290 1.00 0.00 C ATOM 771 OE1 GLN A 51 -0.822 24.169 -2.571 1.00 0.00 O ATOM 772 NE2 GLN A 51 0.266 24.231 -4.478 1.00 0.00 N ATOM 0 H GLN A 51 1.495 20.680 -5.285 1.00 0.00 H new ATOM 0 HA GLN A 51 1.998 20.067 -2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.244 21.219 -4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.411 20.909 -2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.122 22.621 -1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.900 22.623 -3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.998 23.853 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.306 25.012 -4.800 1.00 0.00 H new ATOM 781 N ARG A 52 -0.245 18.321 -2.448 1.00 0.00 N ATOM 782 CA ARG A 52 -0.737 16.973 -2.074 1.00 0.00 C ATOM 783 C ARG A 52 -1.126 16.008 -3.243 1.00 0.00 C ATOM 784 O ARG A 52 -1.745 16.414 -4.229 1.00 0.00 O ATOM 785 CB ARG A 52 -1.891 17.165 -1.050 1.00 0.00 C ATOM 786 CG ARG A 52 -3.314 17.438 -1.549 1.00 0.00 C ATOM 787 CD ARG A 52 -3.527 18.697 -2.403 1.00 0.00 C ATOM 788 NE ARG A 52 -4.896 18.702 -2.989 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.298 17.901 -3.978 1.00 0.00 C ATOM 790 NH1 ARG A 52 -4.478 17.204 -4.728 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.577 17.767 -4.179 1.00 0.00 N ATOM 0 H ARG A 52 -0.841 19.076 -2.109 1.00 0.00 H new ATOM 0 HA ARG A 52 0.108 16.440 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.930 16.268 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.612 17.991 -0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.640 16.576 -2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.970 17.503 -0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.383 19.588 -1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.784 18.734 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.573 19.363 -2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.472 17.257 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.847 16.609 -5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.241 18.267 -3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.915 17.162 -4.927 1.00 0.00 H new ATOM 805 N TRP A 53 -0.805 14.726 -3.056 1.00 0.00 N ATOM 806 CA TRP A 53 -1.173 13.618 -3.993 1.00 0.00 C ATOM 807 C TRP A 53 -2.463 12.934 -3.467 1.00 0.00 C ATOM 808 O TRP A 53 -2.416 12.265 -2.435 1.00 0.00 O ATOM 809 CB TRP A 53 0.078 12.704 -4.034 1.00 0.00 C ATOM 810 CG TRP A 53 0.005 11.235 -4.561 1.00 0.00 C ATOM 811 CD1 TRP A 53 -0.995 10.638 -5.371 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.876 10.173 -4.259 1.00 0.00 C ATOM 813 NE1 TRP A 53 -0.805 9.257 -5.534 1.00 0.00 N ATOM 814 CE2 TRP A 53 0.346 8.987 -4.834 1.00 0.00 C ATOM 815 CE3 TRP A 53 2.094 10.110 -3.506 1.00 0.00 C ATOM 816 CZ2 TRP A 53 1.000 7.740 -4.631 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.710 8.878 -3.319 1.00 0.00 C ATOM 818 CH2 TRP A 53 2.170 7.707 -3.880 1.00 0.00 C ATOM 0 H TRP A 53 -0.276 14.405 -2.245 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.413 13.932 -5.009 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.826 13.219 -4.637 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.467 12.656 -3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.813 11.186 -5.814 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.389 8.602 -6.054 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.527 11.007 -3.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.594 6.833 -5.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.616 8.819 -2.735 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.673 6.764 -3.725 1.00 0.00 H new ATOM 829 N ASP A 54 -3.584 13.091 -4.182 1.00 0.00 N ATOM 830 CA ASP A 54 -4.921 12.574 -3.758 1.00 0.00 C ATOM 831 C ASP A 54 -5.554 11.460 -4.658 1.00 0.00 C ATOM 832 O ASP A 54 -6.774 11.419 -4.851 1.00 0.00 O ATOM 833 CB ASP A 54 -5.844 13.814 -3.608 1.00 0.00 C ATOM 834 CG ASP A 54 -6.200 14.619 -4.859 1.00 0.00 C ATOM 835 OD1 ASP A 54 -5.328 14.822 -5.733 1.00 0.00 O ATOM 836 OD2 ASP A 54 -7.291 15.224 -4.897 1.00 0.00 O ATOM 0 H ASP A 54 -3.605 13.580 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.792 12.039 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.777 13.479 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.371 14.495 -2.900 1.00 0.00 H new ATOM 841 N TYR A 55 -4.754 10.538 -5.209 1.00 0.00 N ATOM 842 CA TYR A 55 -5.173 9.781 -6.417 1.00 0.00 C ATOM 843 C TYR A 55 -5.856 8.428 -6.036 1.00 0.00 C ATOM 844 O TYR A 55 -5.247 7.560 -5.405 1.00 0.00 O ATOM 845 CB TYR A 55 -3.992 9.522 -7.384 1.00 0.00 C ATOM 846 CG TYR A 55 -3.271 10.715 -8.059 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.629 12.076 -7.906 1.00 0.00 C ATOM 848 CD2 TYR A 55 -2.143 10.417 -8.833 1.00 0.00 C ATOM 849 CE1 TYR A 55 -2.853 13.088 -8.476 1.00 0.00 C ATOM 850 CE2 TYR A 55 -1.376 11.433 -9.413 1.00 0.00 C ATOM 851 CZ TYR A 55 -1.724 12.767 -9.223 1.00 0.00 C ATOM 852 OH TYR A 55 -0.964 13.764 -9.761 1.00 0.00 O ATOM 0 H TYR A 55 -3.829 10.295 -4.854 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.900 10.407 -6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.240 8.957 -6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.360 8.873 -8.179 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.513 12.335 -7.342 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.860 9.386 -8.985 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.130 14.122 -8.336 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.512 11.182 -10.010 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.170 13.377 -10.185 1.00 0.00 H new ATOM 862 N THR A 56 -7.111 8.267 -6.474 1.00 0.00 N ATOM 863 CA THR A 56 -7.840 6.968 -6.409 1.00 0.00 C ATOM 864 C THR A 56 -7.636 6.193 -7.739 1.00 0.00 C ATOM 865 O THR A 56 -7.986 6.676 -8.822 1.00 0.00 O ATOM 866 CB THR A 56 -9.332 7.260 -6.094 1.00 0.00 C ATOM 867 OG1 THR A 56 -9.429 7.908 -4.826 1.00 0.00 O ATOM 868 CG2 THR A 56 -10.221 6.024 -6.000 1.00 0.00 C ATOM 0 H THR A 56 -7.659 9.023 -6.884 1.00 0.00 H new ATOM 0 HA THR A 56 -7.452 6.330 -5.615 1.00 0.00 H new ATOM 0 HB THR A 56 -9.679 7.869 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.370 8.095 -4.625 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.244 6.328 -5.777 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.200 5.488 -6.949 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.855 5.372 -5.207 1.00 0.00 H new ATOM 1095 N LYS A 70 -6.115 1.492 -4.783 1.00 0.00 N ATOM 1096 CA LYS A 70 -5.054 2.374 -4.239 1.00 0.00 C ATOM 1097 C LYS A 70 -5.555 3.839 -4.206 1.00 0.00 C ATOM 1098 O LYS A 70 -5.345 4.629 -5.131 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.747 2.203 -5.067 1.00 0.00 C ATOM 1100 CG LYS A 70 -3.076 0.848 -4.799 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.828 0.539 -5.625 1.00 0.00 C ATOM 1102 CE LYS A 70 -2.065 0.250 -7.110 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.908 -0.541 -7.616 1.00 0.00 N ATOM 0 HA LYS A 70 -4.821 2.092 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.975 2.292 -6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.053 3.007 -4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.809 0.801 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.809 0.061 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.143 1.383 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.327 -0.322 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.994 -0.304 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.163 1.181 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.046 -0.751 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.032 0.007 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.837 -1.432 -7.084 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.217 4.159 -3.095 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.629 5.537 -2.741 1.00 0.00 C ATOM 1119 C ASN A 71 -5.724 6.083 -1.597 1.00 0.00 C ATOM 1120 O ASN A 71 -6.025 5.934 -0.410 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.147 5.588 -2.453 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.724 4.630 -1.424 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.867 3.437 -1.674 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.054 5.091 -0.243 1.00 0.00 N ATOM 0 H ASN A 71 -6.491 3.466 -2.399 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.477 6.212 -3.583 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.390 6.602 -2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.669 5.416 -3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.428 4.459 0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.937 6.082 -0.031 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.590 6.685 -1.981 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.571 7.187 -1.018 1.00 0.00 C ATOM 1133 C PHE A 72 -3.526 8.737 -1.063 1.00 0.00 C ATOM 1134 O PHE A 72 -3.061 9.317 -2.050 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.224 6.520 -1.401 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.103 6.692 -0.363 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.094 5.916 0.807 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.045 7.587 -0.581 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.052 6.020 1.728 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.998 7.692 0.342 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.997 6.902 1.490 1.00 0.00 C ATOM 0 H PHE A 72 -4.344 6.842 -2.958 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.809 6.928 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.394 5.455 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.887 6.934 -2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.905 5.229 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.037 8.200 -1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.059 5.417 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.806 8.386 0.166 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.811 6.975 2.196 1.00 0.00 H new ATOM 1151 N THR A 73 -4.011 9.398 0.001 1.00 0.00 N ATOM 1152 CA THR A 73 -4.079 10.886 0.056 1.00 0.00 C ATOM 1153 C THR A 73 -2.946 11.420 0.979 1.00 0.00 C ATOM 1154 O THR A 73 -3.048 11.365 2.207 1.00 0.00 O ATOM 1155 CB THR A 73 -5.501 11.341 0.500 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.500 10.797 -0.359 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.700 12.855 0.445 1.00 0.00 C ATOM 0 H THR A 73 -4.364 8.935 0.839 1.00 0.00 H new ATOM 0 HA THR A 73 -3.915 11.313 -0.934 1.00 0.00 H new ATOM 0 HB THR A 73 -5.592 10.988 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.385 11.094 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.712 13.101 0.767 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.981 13.341 1.105 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.549 13.205 -0.576 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.864 11.925 0.375 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.630 12.337 1.109 1.00 0.00 C ATOM 1167 C VAL A 74 -0.273 13.824 0.840 1.00 0.00 C ATOM 1168 O VAL A 74 -0.261 14.299 -0.298 1.00 0.00 O ATOM 1169 CB VAL A 74 0.522 11.320 0.863 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.934 11.156 -0.600 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.801 11.642 1.667 1.00 0.00 C ATOM 0 H VAL A 74 -1.805 12.065 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.818 12.300 2.182 1.00 0.00 H new ATOM 0 HB VAL A 74 0.080 10.385 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.742 10.428 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.080 10.808 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.274 12.115 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.565 10.895 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.168 12.629 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.574 11.629 2.733 1.00 0.00 H new ATOM 1181 N PHE A 75 0.028 14.541 1.927 1.00 0.00 N ATOM 1182 CA PHE A 75 0.168 16.013 1.929 1.00 0.00 C ATOM 1183 C PHE A 75 1.661 16.428 1.837 1.00 0.00 C ATOM 1184 O PHE A 75 2.500 15.962 2.612 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.524 16.574 3.203 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.065 16.458 3.164 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.713 15.312 3.658 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.843 17.469 2.579 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.097 15.172 3.551 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.230 17.332 2.478 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.853 16.182 2.961 1.00 0.00 C ATOM 0 H PHE A 75 0.184 14.119 2.842 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.320 16.438 1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.149 16.041 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.249 17.621 3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.132 14.531 4.126 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.365 18.362 2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.581 14.282 3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.819 18.116 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.924 16.074 2.877 1.00 0.00 H new ATOM 1201 N PHE A 76 1.972 17.301 0.873 1.00 0.00 N ATOM 1202 CA PHE A 76 3.355 17.761 0.604 1.00 0.00 C ATOM 1203 C PHE A 76 3.412 19.326 0.546 1.00 0.00 C ATOM 1204 O PHE A 76 2.459 19.977 0.102 1.00 0.00 O ATOM 1205 CB PHE A 76 3.871 17.221 -0.759 1.00 0.00 C ATOM 1206 CG PHE A 76 3.935 15.699 -0.922 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.864 14.917 -0.216 1.00 0.00 C ATOM 1208 CD2 PHE A 76 3.086 15.069 -1.840 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.926 13.536 -0.422 1.00 0.00 C ATOM 1210 CE2 PHE A 76 3.191 13.702 -2.083 1.00 0.00 C ATOM 1211 CZ PHE A 76 4.097 12.933 -1.362 1.00 0.00 C ATOM 0 H PHE A 76 1.277 17.714 0.252 1.00 0.00 H new ATOM 0 HA PHE A 76 3.980 17.384 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.231 17.620 -1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.870 17.622 -0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.534 15.385 0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.342 15.649 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.619 12.936 0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.567 13.238 -2.833 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.157 11.868 -1.532 1.00 0.00 H new ATOM 1221 N GLU A 77 4.568 19.904 0.902 1.00 0.00 N ATOM 1222 CA GLU A 77 4.877 21.333 0.575 1.00 0.00 C ATOM 1223 C GLU A 77 5.289 21.464 -0.931 1.00 0.00 C ATOM 1224 O GLU A 77 4.467 21.845 -1.767 1.00 0.00 O ATOM 1225 CB GLU A 77 5.917 21.781 1.624 1.00 0.00 C ATOM 1226 CG GLU A 77 6.404 23.235 1.506 1.00 0.00 C ATOM 1227 CD GLU A 77 7.589 23.513 2.418 1.00 0.00 C ATOM 1228 OE1 GLU A 77 8.702 23.030 2.113 1.00 0.00 O ATOM 1229 OE2 GLU A 77 7.416 24.194 3.448 1.00 0.00 O ATOM 0 H GLU A 77 5.308 19.422 1.412 1.00 0.00 H new ATOM 0 HA GLU A 77 4.025 22.009 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.488 21.641 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.782 21.121 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.685 23.441 0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.587 23.913 1.755 1.00 0.00 H new ATOM 1236 N ASN A 78 6.527 21.065 -1.259 1.00 0.00 N ATOM 1237 CA ASN A 78 6.901 20.625 -2.629 1.00 0.00 C ATOM 1238 C ASN A 78 7.404 19.154 -2.515 1.00 0.00 C ATOM 1239 O ASN A 78 6.657 18.229 -2.839 1.00 0.00 O ATOM 1240 CB ASN A 78 7.874 21.638 -3.273 1.00 0.00 C ATOM 1241 CG ASN A 78 8.059 21.475 -4.777 1.00 0.00 C ATOM 1242 OD1 ASN A 78 7.471 22.198 -5.569 1.00 0.00 O ATOM 1243 ND2 ASN A 78 8.828 20.520 -5.245 1.00 0.00 N ATOM 0 H ASN A 78 7.299 21.035 -0.593 1.00 0.00 H new ATOM 0 HA ASN A 78 6.060 20.616 -3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.512 22.647 -3.072 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.846 21.546 -2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.926 20.392 -6.252 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.327 19.906 -4.602 1.00 0.00 H new ATOM 1250 N GLU A 79 8.627 18.941 -2.007 1.00 0.00 N ATOM 1251 CA GLU A 79 9.124 17.593 -1.644 1.00 0.00 C ATOM 1252 C GLU A 79 8.736 17.138 -0.200 1.00 0.00 C ATOM 1253 O GLU A 79 8.361 15.977 -0.036 1.00 0.00 O ATOM 1254 CB GLU A 79 10.657 17.534 -1.873 1.00 0.00 C ATOM 1255 CG GLU A 79 11.113 17.324 -3.332 1.00 0.00 C ATOM 1256 CD GLU A 79 10.806 15.984 -3.988 1.00 0.00 C ATOM 1257 OE1 GLU A 79 10.852 14.930 -3.324 1.00 0.00 O ATOM 1258 OE2 GLU A 79 10.527 15.970 -5.205 1.00 0.00 O ATOM 0 H GLU A 79 9.300 19.688 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 79 8.626 16.878 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.096 18.462 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.065 16.726 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.659 18.106 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.192 17.476 -3.371 1.00 0.00 H new ATOM 1265 N GLN A 80 8.827 17.985 0.846 1.00 0.00 N ATOM 1266 CA GLN A 80 8.740 17.494 2.248 1.00 0.00 C ATOM 1267 C GLN A 80 7.321 17.043 2.685 1.00 0.00 C ATOM 1268 O GLN A 80 6.321 17.714 2.406 1.00 0.00 O ATOM 1269 CB GLN A 80 9.428 18.444 3.250 1.00 0.00 C ATOM 1270 CG GLN A 80 8.787 19.821 3.492 1.00 0.00 C ATOM 1271 CD GLN A 80 9.470 20.608 4.610 1.00 0.00 C ATOM 1272 OE1 GLN A 80 9.693 20.121 5.714 1.00 0.00 O ATOM 1273 NE2 GLN A 80 9.802 21.857 4.393 1.00 0.00 N ATOM 0 H GLN A 80 8.958 18.993 0.757 1.00 0.00 H new ATOM 0 HA GLN A 80 9.318 16.570 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.490 17.930 4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.451 18.606 2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.826 20.401 2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.734 19.687 3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.625 22.281 3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.237 22.405 5.135 1.00 0.00 H new ATOM 1282 N VAL A 81 7.255 15.871 3.336 1.00 0.00 N ATOM 1283 CA VAL A 81 5.973 15.159 3.571 1.00 0.00 C ATOM 1284 C VAL A 81 5.361 15.598 4.940 1.00 0.00 C ATOM 1285 O VAL A 81 6.007 15.498 5.988 1.00 0.00 O ATOM 1286 CB VAL A 81 6.107 13.593 3.526 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.725 12.948 3.278 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.112 13.030 2.508 1.00 0.00 C ATOM 0 H VAL A 81 8.072 15.390 3.712 1.00 0.00 H new ATOM 0 HA VAL A 81 5.311 15.439 2.752 1.00 0.00 H new ATOM 0 HB VAL A 81 6.509 13.331 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.830 11.863 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.044 13.225 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.325 13.300 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.119 11.942 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.823 13.337 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.108 13.412 2.731 1.00 0.00 H new ATOM 1298 N VAL A 82 4.103 16.040 4.907 1.00 0.00 N ATOM 1299 CA VAL A 82 3.356 16.472 6.121 1.00 0.00 C ATOM 1300 C VAL A 82 2.670 15.229 6.784 1.00 0.00 C ATOM 1301 O VAL A 82 3.071 14.851 7.886 1.00 0.00 O ATOM 1302 CB VAL A 82 2.397 17.657 5.773 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.611 18.168 7.000 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.135 18.884 5.173 1.00 0.00 C ATOM 0 H VAL A 82 3.561 16.114 4.046 1.00 0.00 H new ATOM 0 HA VAL A 82 4.032 16.872 6.877 1.00 0.00 H new ATOM 0 HB VAL A 82 1.718 17.231 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.962 18.990 6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.006 17.358 7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.310 18.517 7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.413 19.671 4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.868 19.254 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.642 18.590 4.254 1.00 0.00 H new ATOM 1314 N ARG A 83 1.676 14.594 6.129 1.00 0.00 N ATOM 1315 CA ARG A 83 1.120 13.290 6.582 1.00 0.00 C ATOM 1316 C ARG A 83 0.413 12.507 5.421 1.00 0.00 C ATOM 1317 O ARG A 83 -0.021 13.100 4.429 1.00 0.00 O ATOM 1318 CB ARG A 83 0.209 13.432 7.835 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.184 14.060 7.627 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.225 13.661 8.692 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.531 12.209 8.585 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.729 11.651 8.479 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -4.859 12.308 8.514 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.774 10.364 8.316 1.00 0.00 N ATOM 0 H ARG A 83 1.238 14.959 5.283 1.00 0.00 H new ATOM 0 HA ARG A 83 1.974 12.687 6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.071 12.441 8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.742 14.030 8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.083 15.145 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.557 13.771 6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.844 13.888 9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.136 14.244 8.558 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.733 11.574 8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.856 13.321 8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.743 11.807 8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.909 9.825 8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.674 9.892 8.230 1.00 0.00 H new ATOM 1338 N TRP A 84 0.246 11.188 5.594 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.562 10.335 4.683 1.00 0.00 C ATOM 1340 C TRP A 84 -1.858 9.796 5.355 1.00 0.00 C ATOM 1341 O TRP A 84 -1.824 9.227 6.451 1.00 0.00 O ATOM 1342 CB TRP A 84 0.257 9.198 4.035 1.00 0.00 C ATOM 1343 CG TRP A 84 1.148 8.292 4.915 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.875 6.975 5.370 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.446 8.562 5.347 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.951 6.447 6.104 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.908 7.440 6.080 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.306 9.692 5.147 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.218 7.446 6.638 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.577 9.674 5.705 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.025 8.567 6.449 1.00 0.00 C ATOM 0 H TRP A 84 0.665 10.673 6.368 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.874 10.995 3.873 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.445 8.551 3.510 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.900 9.651 3.280 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.046 6.445 5.176 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.011 5.534 6.554 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.971 10.543 4.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.580 6.597 7.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.231 10.522 5.566 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.014 8.586 6.882 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.984 9.948 4.644 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.231 9.185 4.904 1.00 0.00 C ATOM 1364 C GLU A 85 -4.295 8.017 3.868 1.00 0.00 C ATOM 1365 O GLU A 85 -4.658 8.207 2.699 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.424 10.168 4.795 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.698 9.728 5.549 1.00 0.00 C ATOM 1368 CD GLU A 85 -6.650 10.012 7.039 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -6.091 9.191 7.795 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -7.029 11.123 7.465 1.00 0.00 O ATOM 0 H GLU A 85 -3.064 10.604 3.867 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.263 8.745 5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.111 11.140 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.671 10.302 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.560 10.238 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.850 8.660 5.396 1.00 0.00 H new ATOM 1377 N GLY A 86 -3.849 6.824 4.288 1.00 0.00 N ATOM 1378 CA GLY A 86 -3.716 5.663 3.382 1.00 0.00 C ATOM 1379 C GLY A 86 -4.780 4.580 3.550 1.00 0.00 C ATOM 1380 O GLY A 86 -4.475 3.475 4.007 1.00 0.00 O ATOM 0 H GLY A 86 -3.572 6.633 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.744 6.021 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.735 5.213 3.536 1.00 0.00 H new ATOM 1384 N ASP A 87 -5.998 4.882 3.096 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.164 3.960 3.224 1.00 0.00 C ATOM 1386 C ASP A 87 -7.343 3.010 1.982 1.00 0.00 C ATOM 1387 O ASP A 87 -8.447 2.806 1.467 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.434 4.807 3.486 1.00 0.00 C ATOM 1389 CG ASP A 87 -8.493 5.475 4.853 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -8.598 4.756 5.870 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -8.454 6.722 4.911 1.00 0.00 O ATOM 0 H ASP A 87 -6.219 5.762 2.630 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.983 3.291 4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.503 5.578 2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.309 4.167 3.373 1.00 0.00 H new ATOM 1396 N TYR A 88 -6.240 2.396 1.539 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.220 1.488 0.374 1.00 0.00 C ATOM 1398 C TYR A 88 -6.598 0.029 0.739 1.00 0.00 C ATOM 1399 O TYR A 88 -6.405 -0.423 1.873 1.00 0.00 O ATOM 1400 CB TYR A 88 -4.871 1.652 -0.367 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.539 1.373 0.339 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -3.187 0.084 0.772 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -2.593 2.402 0.464 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -1.934 -0.158 1.340 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.340 2.158 1.032 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.016 0.880 1.478 1.00 0.00 C ATOM 1407 OH TYR A 88 0.210 0.640 2.015 1.00 0.00 O ATOM 0 H TYR A 88 -5.327 2.512 1.978 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.007 1.770 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.908 1.005 -1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.830 2.679 -0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.892 -0.727 0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.837 3.395 0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.677 -1.153 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.623 2.961 1.125 1.00 0.00 H new ATOM 0 HH TYR A 88 0.216 0.918 2.955 1.00 0.00 H new ATOM 1667 N GLY A 105 -9.317 -6.429 -15.279 1.00 0.00 N ATOM 1668 CA GLY A 105 -8.341 -5.386 -15.671 1.00 0.00 C ATOM 1669 C GLY A 105 -8.539 -4.833 -17.086 1.00 0.00 C ATOM 1670 O GLY A 105 -9.206 -3.811 -17.258 1.00 0.00 O ATOM 0 HA2 GLY A 105 -8.403 -4.562 -14.960 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.335 -5.799 -15.593 1.00 0.00 H new ATOM 1674 N ARG A 106 -7.939 -5.502 -18.078 1.00 0.00 N ATOM 1675 CA ARG A 106 -8.103 -5.142 -19.512 1.00 0.00 C ATOM 1676 C ARG A 106 -8.379 -6.443 -20.318 1.00 0.00 C ATOM 1677 O ARG A 106 -7.448 -7.121 -20.766 1.00 0.00 O ATOM 1678 CB ARG A 106 -6.828 -4.382 -19.964 1.00 0.00 C ATOM 1679 CG ARG A 106 -6.901 -3.819 -21.400 1.00 0.00 C ATOM 1680 CD ARG A 106 -5.603 -3.092 -21.787 1.00 0.00 C ATOM 1681 NE ARG A 106 -5.671 -2.586 -23.184 1.00 0.00 N ATOM 1682 CZ ARG A 106 -6.105 -1.383 -23.557 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -6.593 -0.496 -22.727 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -6.046 -1.071 -24.818 1.00 0.00 N ATOM 0 H ARG A 106 -7.328 -6.304 -17.923 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.951 -4.480 -19.686 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.645 -3.560 -19.272 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.973 -5.055 -19.893 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.087 -4.632 -22.102 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.742 -3.131 -21.480 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.430 -2.261 -21.103 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.757 -3.771 -21.683 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.357 -3.216 -23.922 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.657 -0.710 -21.732 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.909 0.409 -23.076 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.675 -1.740 -25.492 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.371 -0.157 -25.133 1.00 0.00 H new ATOM 1698 N ASN A 107 -9.662 -6.783 -20.512 1.00 0.00 N ATOM 1699 CA ASN A 107 -10.054 -8.040 -21.212 1.00 0.00 C ATOM 1700 C ASN A 107 -10.171 -7.809 -22.754 1.00 0.00 C ATOM 1701 O ASN A 107 -11.259 -7.607 -23.302 1.00 0.00 O ATOM 1702 CB ASN A 107 -11.369 -8.591 -20.603 1.00 0.00 C ATOM 1703 CG ASN A 107 -11.235 -9.114 -19.177 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -10.477 -10.035 -18.894 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -11.961 -8.563 -18.235 1.00 0.00 N ATOM 0 H ASN A 107 -10.450 -6.216 -20.200 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.276 -8.789 -21.066 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -12.120 -7.801 -20.618 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.740 -9.395 -21.238 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.893 -8.901 -17.275 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -12.594 -7.796 -18.462 1.00 0.00 H new ATOM 1712 N LEU A 108 -9.019 -7.847 -23.440 1.00 0.00 N ATOM 1713 CA LEU A 108 -8.929 -7.559 -24.894 1.00 0.00 C ATOM 1714 C LEU A 108 -9.205 -8.803 -25.785 1.00 0.00 C ATOM 1715 O LEU A 108 -8.296 -9.453 -26.309 1.00 0.00 O ATOM 1716 CB LEU A 108 -7.640 -6.758 -25.212 1.00 0.00 C ATOM 1717 CG LEU A 108 -6.243 -7.401 -25.112 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -5.208 -6.424 -25.719 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -5.795 -7.744 -23.688 1.00 0.00 C ATOM 0 H LEU A 108 -8.122 -8.077 -23.012 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.750 -6.898 -25.172 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.744 -6.384 -26.231 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.636 -5.890 -24.553 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.306 -8.345 -25.653 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.213 -6.864 -25.656 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.456 -6.234 -26.763 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.226 -5.485 -25.165 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.802 -8.191 -23.717 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.766 -6.835 -23.087 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.498 -8.450 -23.245 1.00 0.00 H new ATOM 1731 N ALA A 109 -10.498 -9.121 -25.969 1.00 0.00 N ATOM 1732 CA ALA A 109 -10.930 -10.292 -26.763 1.00 0.00 C ATOM 1733 C ALA A 109 -11.017 -9.988 -28.278 1.00 0.00 C ATOM 1734 O ALA A 109 -11.976 -9.412 -28.797 1.00 0.00 O ATOM 1735 CB ALA A 109 -12.247 -10.798 -26.176 1.00 0.00 C ATOM 0 H ALA A 109 -11.269 -8.581 -25.577 1.00 0.00 H new ATOM 0 HA ALA A 109 -10.180 -11.079 -26.693 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.590 -11.663 -26.743 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.095 -11.084 -25.135 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -12.997 -10.009 -26.230 1.00 0.00 H new ATOM 1741 N ARG A 110 -9.948 -10.408 -28.951 1.00 0.00 N ATOM 1742 CA ARG A 110 -9.750 -10.181 -30.404 1.00 0.00 C ATOM 1743 C ARG A 110 -10.236 -11.410 -31.217 1.00 0.00 C ATOM 1744 O ARG A 110 -9.567 -12.448 -31.255 1.00 0.00 O ATOM 1745 CB ARG A 110 -8.253 -9.827 -30.602 1.00 0.00 C ATOM 1746 CG ARG A 110 -7.847 -9.354 -32.010 1.00 0.00 C ATOM 1747 CD ARG A 110 -7.514 -10.439 -33.044 1.00 0.00 C ATOM 1748 NE ARG A 110 -6.187 -11.065 -32.808 1.00 0.00 N ATOM 1749 CZ ARG A 110 -5.972 -12.280 -32.310 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -6.911 -13.081 -31.873 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -4.743 -12.701 -32.242 1.00 0.00 N ATOM 0 H ARG A 110 -9.183 -10.920 -28.512 1.00 0.00 H new ATOM 0 HA ARG A 110 -10.349 -9.353 -30.782 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -7.988 -9.046 -29.889 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.657 -10.704 -30.350 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.658 -8.744 -32.409 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.978 -8.703 -31.911 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.285 -11.209 -33.018 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.533 -10.002 -34.043 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.365 -10.512 -33.050 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.887 -12.786 -31.901 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.667 -14.000 -31.505 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.981 -12.105 -32.565 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.541 -13.627 -31.866 1.00 0.00 H new ATOM 1765 N ASP A 111 -11.378 -11.266 -31.894 1.00 0.00 N ATOM 1766 CA ASP A 111 -11.983 -12.346 -32.716 1.00 0.00 C ATOM 1767 C ASP A 111 -11.327 -12.567 -34.120 1.00 0.00 C ATOM 1768 O ASP A 111 -10.358 -11.910 -34.515 1.00 0.00 O ATOM 1769 CB ASP A 111 -13.516 -12.088 -32.731 1.00 0.00 C ATOM 1770 CG ASP A 111 -14.052 -10.911 -33.541 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -13.614 -10.707 -34.695 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -14.974 -10.224 -33.055 1.00 0.00 O ATOM 0 H ASP A 111 -11.919 -10.401 -31.895 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.777 -13.315 -32.261 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.000 -12.992 -33.101 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.839 -11.953 -31.699 1.00 0.00 H new ATOM 1777 N LYS A 112 -11.896 -13.510 -34.889 1.00 0.00 N ATOM 1778 CA LYS A 112 -11.837 -13.445 -36.378 1.00 0.00 C ATOM 1779 C LYS A 112 -13.281 -13.582 -36.964 1.00 0.00 C ATOM 1780 O LYS A 112 -13.660 -14.622 -37.511 1.00 0.00 O ATOM 1781 CB LYS A 112 -10.827 -14.512 -36.870 1.00 0.00 C ATOM 1782 CG LYS A 112 -10.478 -14.396 -38.366 1.00 0.00 C ATOM 1783 CD LYS A 112 -9.583 -15.532 -38.896 1.00 0.00 C ATOM 1784 CE LYS A 112 -8.128 -15.468 -38.416 1.00 0.00 C ATOM 1785 NZ LYS A 112 -7.352 -16.574 -39.045 1.00 0.00 N ATOM 0 H LYS A 112 -12.397 -14.319 -34.522 1.00 0.00 H new ATOM 0 HA LYS A 112 -11.472 -12.483 -36.737 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.911 -14.428 -36.285 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.238 -15.503 -36.678 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -11.403 -14.378 -38.943 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -9.977 -13.444 -38.538 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.011 -16.487 -38.593 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.595 -15.509 -39.986 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.689 -14.505 -38.678 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.087 -15.552 -37.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -6.365 -16.533 -38.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.768 -17.488 -38.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.381 -16.474 -40.080 1.00 0.00 H new