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 41 THR OG1 : rot -12:sc= 1.62 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -157:sc= 1.84 (180deg=0.263) USER MOD Set 2.1: A 49 HIS : no HD1:sc= 0.595 K(o=1.3,f=-0.98) USER MOD Set 2.2: A 78 ASN :FLIP amide:sc= 0.692 F(o=0.26,f=1.3) USER MOD Set 3.1: A 33 GLN : amide:sc= 1.06 K(o=2.2,f=-0.55) USER MOD Set 3.2: A 43 SER OG : rot -172:sc= 1.11 USER MOD Set 4.1: A 27 GLN : amide:sc= 0.696 K(o=2,f=-6.3) USER MOD Set 4.2: A 107 ASN : amide:sc= 1.32 K(o=2,f=-5.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0.01) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.291 X(o=0.29,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 75:sc= 0.836 USER MOD Single : A 32 LYS NZ :NH3+ -145:sc= 2.34 (180deg=1.29) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 75:sc= 1.3 USER MOD Single : A 51 GLN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.578 K(o=0.58,f=-2.1) USER MOD Single : A 73 THR OG1 : rot -79:sc= 1.29 USER MOD Single : A 80 GLN : amide:sc= 0.936 K(o=0.94,f=-0.74) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 1.043 -1.961 -1.525 1.00 0.00 N ATOM 265 CA ILE A 18 0.762 -1.670 -0.093 1.00 0.00 C ATOM 266 C ILE A 18 1.271 -2.876 0.755 1.00 0.00 C ATOM 267 O ILE A 18 0.531 -3.806 1.089 1.00 0.00 O ATOM 268 CB ILE A 18 -0.747 -1.344 0.112 1.00 0.00 C ATOM 269 CG1 ILE A 18 -1.255 -0.122 -0.698 1.00 0.00 C ATOM 270 CG2 ILE A 18 -1.126 -1.139 1.596 1.00 0.00 C ATOM 271 CD1 ILE A 18 -0.492 1.192 -0.547 1.00 0.00 C ATOM 0 HA ILE A 18 1.294 -0.780 0.243 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.244 -2.235 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.251 -0.393 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.293 0.058 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.190 -0.915 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.905 -2.047 2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.550 -0.310 2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.957 1.957 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.516 1.509 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.542 1.050 -0.860 1.00 0.00 H new ATOM 283 N LYS A 19 2.539 -2.779 1.164 1.00 0.00 N ATOM 284 CA LYS A 19 3.058 -3.512 2.347 1.00 0.00 C ATOM 285 C LYS A 19 2.772 -2.650 3.608 1.00 0.00 C ATOM 286 O LYS A 19 3.590 -1.811 3.992 1.00 0.00 O ATOM 287 CB LYS A 19 4.548 -3.767 2.042 1.00 0.00 C ATOM 288 CG LYS A 19 5.398 -4.418 3.141 1.00 0.00 C ATOM 289 CD LYS A 19 4.939 -5.807 3.589 1.00 0.00 C ATOM 290 CE LYS A 19 5.891 -6.422 4.629 1.00 0.00 C ATOM 291 NZ LYS A 19 5.235 -7.643 5.157 1.00 0.00 N ATOM 0 H LYS A 19 3.237 -2.200 0.698 1.00 0.00 H new ATOM 0 HA LYS A 19 2.586 -4.474 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.606 -4.398 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.006 -2.812 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.426 -4.490 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.406 -3.759 4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.936 -5.739 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.876 -6.465 2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.851 -6.667 4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.091 -5.714 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.851 -8.089 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.328 -7.387 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.065 -8.310 4.378 1.00 0.00 H new ATOM 305 N GLN A 20 1.583 -2.814 4.207 1.00 0.00 N ATOM 306 CA GLN A 20 1.037 -1.841 5.202 1.00 0.00 C ATOM 307 C GLN A 20 1.888 -1.566 6.477 1.00 0.00 C ATOM 308 O GLN A 20 1.999 -0.404 6.876 1.00 0.00 O ATOM 309 CB GLN A 20 -0.427 -2.240 5.516 1.00 0.00 C ATOM 310 CG GLN A 20 -1.253 -1.092 6.141 1.00 0.00 C ATOM 311 CD GLN A 20 -2.726 -1.419 6.328 1.00 0.00 C ATOM 312 OE1 GLN A 20 -3.570 -1.111 5.494 1.00 0.00 O ATOM 313 NE2 GLN A 20 -3.097 -2.038 7.423 1.00 0.00 N ATOM 0 H GLN A 20 0.970 -3.609 4.028 1.00 0.00 H new ATOM 0 HA GLN A 20 1.081 -0.862 4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.912 -2.568 4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.426 -3.091 6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.823 -0.834 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.165 -0.209 5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.402 -2.298 8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.081 -2.259 7.575 1.00 0.00 H new ATOM 322 N ASN A 21 2.530 -2.581 7.070 1.00 0.00 N ATOM 323 CA ASN A 21 3.533 -2.366 8.145 1.00 0.00 C ATOM 324 C ASN A 21 4.900 -1.724 7.711 1.00 0.00 C ATOM 325 O ASN A 21 5.501 -1.016 8.522 1.00 0.00 O ATOM 326 CB ASN A 21 3.702 -3.699 8.909 1.00 0.00 C ATOM 327 CG ASN A 21 4.288 -3.506 10.299 1.00 0.00 C ATOM 328 OD1 ASN A 21 5.497 -3.592 10.496 1.00 0.00 O ATOM 329 ND2 ASN A 21 3.469 -3.181 11.273 1.00 0.00 N ATOM 0 H ASN A 21 2.380 -3.561 6.831 1.00 0.00 H new ATOM 0 HA ASN A 21 3.138 -1.590 8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.733 -4.191 8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.348 -4.363 8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.835 -2.996 12.207 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.467 -3.113 11.095 1.00 0.00 H new ATOM 336 N ALA A 22 5.356 -1.893 6.452 1.00 0.00 N ATOM 337 CA ALA A 22 6.348 -0.950 5.861 1.00 0.00 C ATOM 338 C ALA A 22 5.838 0.507 5.604 1.00 0.00 C ATOM 339 O ALA A 22 6.637 1.432 5.734 1.00 0.00 O ATOM 340 CB ALA A 22 6.943 -1.544 4.580 1.00 0.00 C ATOM 0 H ALA A 22 5.067 -2.651 5.833 1.00 0.00 H new ATOM 0 HA ALA A 22 7.114 -0.837 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.666 -0.847 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.440 -2.486 4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.146 -1.723 3.858 1.00 0.00 H new ATOM 346 N VAL A 23 4.545 0.730 5.304 1.00 0.00 N ATOM 347 CA VAL A 23 3.931 2.093 5.315 1.00 0.00 C ATOM 348 C VAL A 23 3.915 2.786 6.733 1.00 0.00 C ATOM 349 O VAL A 23 4.187 3.987 6.822 1.00 0.00 O ATOM 350 CB VAL A 23 2.526 2.129 4.628 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.079 3.593 4.380 1.00 0.00 C ATOM 352 CG2 VAL A 23 2.477 1.407 3.266 1.00 0.00 C ATOM 0 H VAL A 23 3.894 -0.012 5.049 1.00 0.00 H new ATOM 0 HA VAL A 23 4.602 2.699 4.706 1.00 0.00 H new ATOM 0 HB VAL A 23 1.863 1.610 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.100 3.598 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.021 4.122 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.802 4.089 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.470 1.476 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.183 1.876 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.743 0.359 3.400 1.00 0.00 H new ATOM 362 N GLU A 24 3.666 2.034 7.816 1.00 0.00 N ATOM 363 CA GLU A 24 4.020 2.465 9.202 1.00 0.00 C ATOM 364 C GLU A 24 5.539 2.769 9.425 1.00 0.00 C ATOM 365 O GLU A 24 5.889 3.869 9.866 1.00 0.00 O ATOM 366 CB GLU A 24 3.432 1.377 10.137 1.00 0.00 C ATOM 367 CG GLU A 24 3.614 1.537 11.654 1.00 0.00 C ATOM 368 CD GLU A 24 4.938 1.073 12.248 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.370 -0.075 12.008 1.00 0.00 O ATOM 370 OE2 GLU A 24 5.542 1.846 13.016 1.00 0.00 O ATOM 0 H GLU A 24 3.219 1.118 7.771 1.00 0.00 H new ATOM 0 HA GLU A 24 3.586 3.440 9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.363 1.311 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.870 0.421 9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.484 2.591 11.901 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.811 0.992 12.150 1.00 0.00 H new ATOM 377 N GLN A 25 6.421 1.815 9.094 1.00 0.00 N ATOM 378 CA GLN A 25 7.885 1.937 9.332 1.00 0.00 C ATOM 379 C GLN A 25 8.667 2.929 8.419 1.00 0.00 C ATOM 380 O GLN A 25 9.715 3.423 8.854 1.00 0.00 O ATOM 381 CB GLN A 25 8.437 0.490 9.316 1.00 0.00 C ATOM 382 CG GLN A 25 9.877 0.291 9.829 1.00 0.00 C ATOM 383 CD GLN A 25 10.928 0.061 8.753 1.00 0.00 C ATOM 384 OE1 GLN A 25 11.236 -1.066 8.383 1.00 0.00 O ATOM 385 NE2 GLN A 25 11.520 1.099 8.214 1.00 0.00 N ATOM 0 H GLN A 25 6.151 0.935 8.654 1.00 0.00 H new ATOM 0 HA GLN A 25 8.045 2.421 10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.773 -0.134 9.915 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.386 0.118 8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.162 1.168 10.410 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.887 -0.560 10.511 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.271 2.041 8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.230 0.964 7.494 1.00 0.00 H new ATOM 394 N LEU A 26 8.193 3.256 7.201 1.00 0.00 N ATOM 395 CA LEU A 26 8.764 4.353 6.372 1.00 0.00 C ATOM 396 C LEU A 26 8.770 5.758 7.029 1.00 0.00 C ATOM 397 O LEU A 26 9.817 6.410 7.012 1.00 0.00 O ATOM 398 CB LEU A 26 8.249 4.293 4.909 1.00 0.00 C ATOM 399 CG LEU A 26 6.788 4.633 4.558 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.477 6.125 4.392 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.417 3.970 3.207 1.00 0.00 C ATOM 0 H LEU A 26 7.409 2.775 6.760 1.00 0.00 H new ATOM 0 HA LEU A 26 9.835 4.157 6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.880 4.961 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.435 3.281 4.548 1.00 0.00 H new ATOM 0 HG LEU A 26 6.215 4.265 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.423 6.252 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.698 6.648 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.089 6.537 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.384 4.209 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.076 4.345 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.530 2.889 3.289 1.00 0.00 H new ATOM 413 N GLN A 27 7.631 6.172 7.614 1.00 0.00 N ATOM 414 CA GLN A 27 7.356 7.522 8.176 1.00 0.00 C ATOM 415 C GLN A 27 8.207 8.721 7.660 1.00 0.00 C ATOM 416 O GLN A 27 9.048 9.286 8.358 1.00 0.00 O ATOM 417 CB GLN A 27 7.184 7.400 9.706 1.00 0.00 C ATOM 418 CG GLN A 27 5.941 8.094 10.301 1.00 0.00 C ATOM 419 CD GLN A 27 4.569 7.584 9.879 1.00 0.00 C ATOM 420 OE1 GLN A 27 3.753 8.325 9.346 1.00 0.00 O ATOM 421 NE2 GLN A 27 4.233 6.335 10.098 1.00 0.00 N ATOM 0 H GLN A 27 6.831 5.547 7.716 1.00 0.00 H new ATOM 0 HA GLN A 27 6.411 7.853 7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.144 6.342 9.965 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.071 7.812 10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.005 8.021 11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.996 9.153 10.048 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.896 5.699 10.541 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.309 6.000 9.826 1.00 0.00 H new ATOM 430 N VAL A 28 8.013 9.032 6.375 1.00 0.00 N ATOM 431 CA VAL A 28 8.886 9.973 5.621 1.00 0.00 C ATOM 432 C VAL A 28 8.369 11.434 5.810 1.00 0.00 C ATOM 433 O VAL A 28 7.187 11.714 5.607 1.00 0.00 O ATOM 434 CB VAL A 28 8.929 9.524 4.114 1.00 0.00 C ATOM 435 CG1 VAL A 28 9.686 10.497 3.182 1.00 0.00 C ATOM 436 CG2 VAL A 28 9.618 8.148 3.923 1.00 0.00 C ATOM 0 H VAL A 28 7.251 8.646 5.818 1.00 0.00 H new ATOM 0 HA VAL A 28 9.908 9.952 6.000 1.00 0.00 H new ATOM 0 HB VAL A 28 7.873 9.492 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.668 10.112 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.206 11.475 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.719 10.591 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.621 7.886 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.644 8.202 4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.074 7.388 4.484 1.00 0.00 H new ATOM 446 N GLY A 29 9.284 12.355 6.140 1.00 0.00 N ATOM 447 CA GLY A 29 9.043 13.814 6.018 1.00 0.00 C ATOM 448 C GLY A 29 10.093 14.535 5.148 1.00 0.00 C ATOM 449 O GLY A 29 10.747 15.457 5.629 1.00 0.00 O ATOM 0 H GLY A 29 10.210 12.120 6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.053 13.977 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.038 14.259 7.013 1.00 0.00 H new ATOM 453 N GLN A 30 10.248 14.100 3.883 1.00 0.00 N ATOM 454 CA GLN A 30 11.396 14.512 3.027 1.00 0.00 C ATOM 455 C GLN A 30 11.058 14.701 1.515 1.00 0.00 C ATOM 456 O GLN A 30 11.483 15.716 0.959 1.00 0.00 O ATOM 457 CB GLN A 30 12.555 13.499 3.240 1.00 0.00 C ATOM 458 CG GLN A 30 13.908 13.849 2.588 1.00 0.00 C ATOM 459 CD GLN A 30 14.584 15.110 3.102 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.290 15.103 4.104 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.400 16.232 2.446 1.00 0.00 N ATOM 0 H GLN A 30 9.597 13.463 3.424 1.00 0.00 H new ATOM 0 HA GLN A 30 11.694 15.511 3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.714 13.384 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.234 12.529 2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.588 13.010 2.734 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.756 13.953 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.814 16.245 1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.843 17.091 2.771 1.00 0.00 H new ATOM 470 N SER A 31 10.391 13.742 0.846 1.00 0.00 N ATOM 471 CA SER A 31 10.174 13.789 -0.627 1.00 0.00 C ATOM 472 C SER A 31 8.896 13.020 -1.065 1.00 0.00 C ATOM 473 O SER A 31 8.548 11.974 -0.502 1.00 0.00 O ATOM 474 CB SER A 31 11.434 13.226 -1.344 1.00 0.00 C ATOM 475 OG SER A 31 11.295 13.197 -2.769 1.00 0.00 O ATOM 0 H SER A 31 9.989 12.920 1.296 1.00 0.00 H new ATOM 0 HA SER A 31 10.017 14.829 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.299 13.835 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.632 12.217 -0.982 1.00 0.00 H new ATOM 0 HG SER A 31 11.387 14.105 -3.125 1.00 0.00 H new ATOM 481 N LYS A 32 8.255 13.507 -2.145 1.00 0.00 N ATOM 482 CA LYS A 32 7.215 12.730 -2.874 1.00 0.00 C ATOM 483 C LYS A 32 7.702 11.449 -3.600 1.00 0.00 C ATOM 484 O LYS A 32 7.062 10.404 -3.478 1.00 0.00 O ATOM 485 CB LYS A 32 6.336 13.656 -3.751 1.00 0.00 C ATOM 486 CG LYS A 32 6.935 14.198 -5.052 1.00 0.00 C ATOM 487 CD LYS A 32 6.014 15.152 -5.829 1.00 0.00 C ATOM 488 CE LYS A 32 5.622 16.476 -5.153 1.00 0.00 C ATOM 489 NZ LYS A 32 6.759 17.425 -5.001 1.00 0.00 N ATOM 0 H LYS A 32 8.433 14.432 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 32 6.579 12.310 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.427 13.111 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.037 14.508 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.864 14.719 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.193 13.357 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.499 15.390 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.097 14.613 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.836 16.954 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.203 16.263 -4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.652 17.956 -4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.653 16.895 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.767 18.088 -5.802 1.00 0.00 H new ATOM 503 N GLN A 33 8.832 11.530 -4.312 1.00 0.00 N ATOM 504 CA GLN A 33 9.445 10.371 -5.005 1.00 0.00 C ATOM 505 C GLN A 33 9.931 9.197 -4.112 1.00 0.00 C ATOM 506 O GLN A 33 9.762 8.046 -4.509 1.00 0.00 O ATOM 507 CB GLN A 33 10.552 10.975 -5.902 1.00 0.00 C ATOM 508 CG GLN A 33 11.233 9.955 -6.835 1.00 0.00 C ATOM 509 CD GLN A 33 11.890 10.596 -8.046 1.00 0.00 C ATOM 510 OE1 GLN A 33 11.220 11.051 -8.970 1.00 0.00 O ATOM 511 NE2 GLN A 33 13.197 10.665 -8.098 1.00 0.00 N ATOM 0 H GLN A 33 9.354 12.398 -4.429 1.00 0.00 H new ATOM 0 HA GLN A 33 8.679 9.853 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.120 11.772 -6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.310 11.432 -5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.985 9.403 -6.272 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.492 9.230 -7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.758 10.289 -7.334 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.653 11.095 -8.903 1.00 0.00 H new ATOM 520 N GLN A 34 10.497 9.470 -2.930 1.00 0.00 N ATOM 521 CA GLN A 34 10.835 8.419 -1.935 1.00 0.00 C ATOM 522 C GLN A 34 9.605 7.606 -1.408 1.00 0.00 C ATOM 523 O GLN A 34 9.621 6.377 -1.501 1.00 0.00 O ATOM 524 CB GLN A 34 11.638 9.028 -0.759 1.00 0.00 C ATOM 525 CG GLN A 34 13.043 9.568 -1.095 1.00 0.00 C ATOM 526 CD GLN A 34 14.077 8.507 -1.442 1.00 0.00 C ATOM 527 OE1 GLN A 34 14.610 7.817 -0.581 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.401 8.332 -2.700 1.00 0.00 N ATOM 0 H GLN A 34 10.736 10.415 -2.628 1.00 0.00 H new ATOM 0 HA GLN A 34 11.452 7.694 -2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.053 9.842 -0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.740 8.267 0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.959 10.259 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.407 10.143 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.963 8.902 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.092 7.626 -2.955 1.00 0.00 H new ATOM 537 N VAL A 35 8.540 8.270 -0.922 1.00 0.00 N ATOM 538 CA VAL A 35 7.263 7.574 -0.575 1.00 0.00 C ATOM 539 C VAL A 35 6.505 6.927 -1.775 1.00 0.00 C ATOM 540 O VAL A 35 6.041 5.793 -1.634 1.00 0.00 O ATOM 541 CB VAL A 35 6.415 8.482 0.364 1.00 0.00 C ATOM 542 CG1 VAL A 35 5.735 9.682 -0.305 1.00 0.00 C ATOM 543 CG2 VAL A 35 5.341 7.686 1.130 1.00 0.00 C ATOM 0 H VAL A 35 8.526 9.277 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 35 7.513 6.676 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 35 7.165 8.881 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.172 10.244 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.492 10.327 -0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.056 9.329 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.776 8.362 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.665 7.210 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.821 6.922 1.742 1.00 0.00 H new ATOM 553 N SER A 36 6.427 7.585 -2.947 1.00 0.00 N ATOM 554 CA SER A 36 5.874 6.961 -4.178 1.00 0.00 C ATOM 555 C SER A 36 6.664 5.754 -4.757 1.00 0.00 C ATOM 556 O SER A 36 6.032 4.781 -5.162 1.00 0.00 O ATOM 557 CB SER A 36 5.547 8.053 -5.231 1.00 0.00 C ATOM 558 OG SER A 36 6.571 8.249 -6.213 1.00 0.00 O ATOM 0 H SER A 36 6.738 8.548 -3.074 1.00 0.00 H new ATOM 0 HA SER A 36 4.946 6.480 -3.869 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.620 7.786 -5.738 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.369 8.997 -4.716 1.00 0.00 H new ATOM 0 HG SER A 36 6.553 7.510 -6.856 1.00 0.00 H new ATOM 564 N ALA A 37 8.005 5.779 -4.763 1.00 0.00 N ATOM 565 CA ALA A 37 8.834 4.595 -5.105 1.00 0.00 C ATOM 566 C ALA A 37 8.705 3.366 -4.152 1.00 0.00 C ATOM 567 O ALA A 37 8.589 2.244 -4.648 1.00 0.00 O ATOM 568 CB ALA A 37 10.291 5.068 -5.210 1.00 0.00 C ATOM 0 H ALA A 37 8.550 6.610 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 37 8.457 4.206 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.931 4.222 -5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.372 5.827 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.606 5.491 -4.256 1.00 0.00 H new ATOM 574 N LEU A 38 8.671 3.576 -2.823 1.00 0.00 N ATOM 575 CA LEU A 38 8.327 2.501 -1.846 1.00 0.00 C ATOM 576 C LEU A 38 6.870 1.922 -1.976 1.00 0.00 C ATOM 577 O LEU A 38 6.699 0.704 -1.928 1.00 0.00 O ATOM 578 CB LEU A 38 8.601 3.004 -0.401 1.00 0.00 C ATOM 579 CG LEU A 38 10.017 2.728 0.158 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.147 3.446 -0.583 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.058 3.150 1.641 1.00 0.00 C ATOM 0 H LEU A 38 8.876 4.477 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 38 8.975 1.658 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.424 4.079 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.873 2.544 0.267 1.00 0.00 H new ATOM 0 HG LEU A 38 10.191 1.660 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.102 3.194 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.154 3.133 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.991 4.523 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.052 2.960 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.830 4.213 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.321 2.576 2.203 1.00 0.00 H new ATOM 593 N LEU A 39 5.861 2.779 -2.153 1.00 0.00 N ATOM 594 CA LEU A 39 4.470 2.351 -2.468 1.00 0.00 C ATOM 595 C LEU A 39 4.161 1.843 -3.929 1.00 0.00 C ATOM 596 O LEU A 39 3.102 1.251 -4.160 1.00 0.00 O ATOM 597 CB LEU A 39 3.566 3.582 -2.185 1.00 0.00 C ATOM 598 CG LEU A 39 3.418 3.963 -0.698 1.00 0.00 C ATOM 599 CD1 LEU A 39 2.738 5.330 -0.582 1.00 0.00 C ATOM 600 CD2 LEU A 39 2.593 2.951 0.096 1.00 0.00 C ATOM 0 H LEU A 39 5.971 3.791 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 39 4.289 1.472 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.969 4.439 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.575 3.386 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 39 4.424 3.982 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.635 5.597 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.343 6.082 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.752 5.286 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.524 3.273 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.592 2.883 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.074 1.974 0.050 1.00 0.00 H new ATOM 612 N GLY A 40 5.030 2.153 -4.889 1.00 0.00 N ATOM 613 CA GLY A 40 4.948 1.667 -6.281 1.00 0.00 C ATOM 614 C GLY A 40 4.168 2.570 -7.243 1.00 0.00 C ATOM 615 O GLY A 40 3.104 2.183 -7.733 1.00 0.00 O ATOM 0 H GLY A 40 5.832 2.762 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.960 1.542 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.484 0.680 -6.278 1.00 0.00 H new ATOM 619 N THR A 41 4.656 3.791 -7.484 1.00 0.00 N ATOM 620 CA THR A 41 3.923 4.841 -8.258 1.00 0.00 C ATOM 621 C THR A 41 4.943 5.966 -8.670 1.00 0.00 C ATOM 622 O THR A 41 5.739 6.386 -7.819 1.00 0.00 O ATOM 623 CB THR A 41 2.729 5.405 -7.425 1.00 0.00 C ATOM 624 OG1 THR A 41 1.826 4.342 -7.107 1.00 0.00 O ATOM 625 CG2 THR A 41 1.883 6.462 -8.123 1.00 0.00 C ATOM 0 H THR A 41 5.572 4.096 -7.154 1.00 0.00 H new ATOM 0 HA THR A 41 3.495 4.411 -9.163 1.00 0.00 H new ATOM 0 HB THR A 41 3.204 5.867 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.048 3.553 -7.644 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.083 6.785 -7.457 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.508 7.317 -8.380 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.452 6.041 -9.031 1.00 0.00 H new ATOM 633 N PRO A 42 4.956 6.512 -9.916 1.00 0.00 N ATOM 634 CA PRO A 42 5.885 7.629 -10.293 1.00 0.00 C ATOM 635 C PRO A 42 5.603 8.991 -9.601 1.00 0.00 C ATOM 636 O PRO A 42 4.502 9.268 -9.113 1.00 0.00 O ATOM 637 CB PRO A 42 5.721 7.681 -11.837 1.00 0.00 C ATOM 638 CG PRO A 42 4.281 7.181 -12.090 1.00 0.00 C ATOM 639 CD PRO A 42 4.096 6.076 -11.037 1.00 0.00 C ATOM 0 HA PRO A 42 6.905 7.442 -9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.862 8.693 -12.217 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.455 7.047 -12.336 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.551 7.981 -11.966 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.162 6.795 -13.102 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.054 5.986 -10.730 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.401 5.102 -11.420 1.00 0.00 H new ATOM 647 N SER A 43 6.636 9.835 -9.557 1.00 0.00 N ATOM 648 CA SER A 43 6.562 11.189 -8.980 1.00 0.00 C ATOM 649 C SER A 43 5.897 12.228 -9.923 1.00 0.00 C ATOM 650 O SER A 43 5.958 12.146 -11.154 1.00 0.00 O ATOM 651 CB SER A 43 8.015 11.590 -8.601 1.00 0.00 C ATOM 652 OG SER A 43 8.886 11.693 -9.729 1.00 0.00 O ATOM 0 H SER A 43 7.559 9.600 -9.923 1.00 0.00 H new ATOM 0 HA SER A 43 5.915 11.179 -8.103 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.996 12.546 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.418 10.854 -7.906 1.00 0.00 H new ATOM 0 HG SER A 43 9.808 11.817 -9.420 1.00 0.00 H new ATOM 658 N ILE A 44 5.262 13.211 -9.287 1.00 0.00 N ATOM 659 CA ILE A 44 4.498 14.282 -9.976 1.00 0.00 C ATOM 660 C ILE A 44 5.182 15.683 -9.778 1.00 0.00 C ATOM 661 O ILE A 44 4.886 16.374 -8.797 1.00 0.00 O ATOM 662 CB ILE A 44 2.963 14.296 -9.646 1.00 0.00 C ATOM 663 CG1 ILE A 44 2.602 14.344 -8.146 1.00 0.00 C ATOM 664 CG2 ILE A 44 2.242 13.106 -10.327 1.00 0.00 C ATOM 665 CD1 ILE A 44 1.173 14.819 -7.890 1.00 0.00 C ATOM 0 H ILE A 44 5.255 13.299 -8.271 1.00 0.00 H new ATOM 0 HA ILE A 44 4.535 14.044 -11.039 1.00 0.00 H new ATOM 0 HB ILE A 44 2.610 15.243 -10.055 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.732 13.351 -7.715 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.297 15.008 -7.632 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.180 13.137 -10.084 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.369 13.174 -11.407 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.669 12.169 -9.969 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.980 14.831 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.046 15.824 -8.293 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.472 14.142 -8.377 1.00 0.00 H new ATOM 677 N PRO A 45 6.075 16.162 -10.686 1.00 0.00 N ATOM 678 CA PRO A 45 6.613 17.557 -10.622 1.00 0.00 C ATOM 679 C PRO A 45 5.665 18.584 -11.297 1.00 0.00 C ATOM 680 O PRO A 45 5.806 18.905 -12.481 1.00 0.00 O ATOM 681 CB PRO A 45 7.993 17.381 -11.309 1.00 0.00 C ATOM 682 CG PRO A 45 7.770 16.267 -12.359 1.00 0.00 C ATOM 683 CD PRO A 45 6.761 15.320 -11.692 1.00 0.00 C ATOM 0 HA PRO A 45 6.701 17.975 -9.619 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.322 18.308 -11.779 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.761 17.098 -10.589 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.380 16.672 -13.293 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.701 15.753 -12.599 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.056 14.915 -12.418 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.261 14.471 -11.225 1.00 0.00 H new ATOM 691 N ASP A 46 4.699 19.100 -10.518 1.00 0.00 N ATOM 692 CA ASP A 46 3.664 20.037 -11.027 1.00 0.00 C ATOM 693 C ASP A 46 4.277 21.438 -11.395 1.00 0.00 C ATOM 694 O ASP A 46 4.797 22.102 -10.489 1.00 0.00 O ATOM 695 CB ASP A 46 2.476 20.241 -10.048 1.00 0.00 C ATOM 696 CG ASP A 46 1.894 19.010 -9.368 1.00 0.00 C ATOM 697 OD1 ASP A 46 1.276 18.170 -10.055 1.00 0.00 O ATOM 698 OD2 ASP A 46 2.058 18.881 -8.133 1.00 0.00 O ATOM 0 H ASP A 46 4.607 18.886 -9.525 1.00 0.00 H new ATOM 0 HA ASP A 46 3.273 19.561 -11.926 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.799 20.932 -9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.672 20.732 -10.596 1.00 0.00 H new ATOM 703 N PRO A 47 4.239 21.938 -12.660 1.00 0.00 N ATOM 704 CA PRO A 47 4.836 23.272 -13.011 1.00 0.00 C ATOM 705 C PRO A 47 4.136 24.555 -12.483 1.00 0.00 C ATOM 706 O PRO A 47 4.728 25.632 -12.570 1.00 0.00 O ATOM 707 CB PRO A 47 4.893 23.198 -14.560 1.00 0.00 C ATOM 708 CG PRO A 47 3.714 22.277 -14.947 1.00 0.00 C ATOM 709 CD PRO A 47 3.698 21.218 -13.832 1.00 0.00 C ATOM 0 HA PRO A 47 5.795 23.402 -12.509 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.789 24.186 -15.009 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.844 22.791 -14.903 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.774 22.827 -14.991 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.864 21.824 -15.927 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.690 20.848 -13.645 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.311 20.355 -14.090 1.00 0.00 H new ATOM 717 N PHE A 48 2.933 24.440 -11.895 1.00 0.00 N ATOM 718 CA PHE A 48 2.365 25.501 -11.021 1.00 0.00 C ATOM 719 C PHE A 48 3.055 25.536 -9.618 1.00 0.00 C ATOM 720 O PHE A 48 3.748 26.506 -9.309 1.00 0.00 O ATOM 721 CB PHE A 48 0.832 25.283 -11.005 1.00 0.00 C ATOM 722 CG PHE A 48 0.036 26.398 -10.313 1.00 0.00 C ATOM 723 CD1 PHE A 48 -0.303 27.572 -11.006 1.00 0.00 C ATOM 724 CD2 PHE A 48 -0.359 26.269 -8.971 1.00 0.00 C ATOM 725 CE1 PHE A 48 -1.015 28.591 -10.371 1.00 0.00 C ATOM 726 CE2 PHE A 48 -1.069 27.290 -8.337 1.00 0.00 C ATOM 727 CZ PHE A 48 -1.396 28.449 -9.038 1.00 0.00 C ATOM 0 H PHE A 48 2.329 23.626 -12.004 1.00 0.00 H new ATOM 0 HA PHE A 48 2.566 26.501 -11.406 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.481 25.188 -12.032 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.618 24.338 -10.506 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.010 27.687 -12.039 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.111 25.371 -8.425 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.271 29.490 -10.913 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.365 27.182 -7.304 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.946 29.239 -8.547 1.00 0.00 H new ATOM 737 N HIS A 49 2.872 24.492 -8.794 1.00 0.00 N ATOM 738 CA HIS A 49 3.621 24.313 -7.523 1.00 0.00 C ATOM 739 C HIS A 49 3.623 22.785 -7.221 1.00 0.00 C ATOM 740 O HIS A 49 2.560 22.213 -6.957 1.00 0.00 O ATOM 741 CB HIS A 49 2.959 25.134 -6.394 1.00 0.00 C ATOM 742 CG HIS A 49 3.800 25.390 -5.135 1.00 0.00 C ATOM 743 ND1 HIS A 49 4.831 24.604 -4.644 1.00 0.00 N ATOM 744 CD2 HIS A 49 3.573 26.453 -4.245 1.00 0.00 C ATOM 745 CE1 HIS A 49 5.120 25.266 -3.485 1.00 0.00 C ATOM 746 NE2 HIS A 49 4.423 26.397 -3.155 1.00 0.00 N ATOM 0 H HIS A 49 2.204 23.745 -8.982 1.00 0.00 H new ATOM 0 HA HIS A 49 4.646 24.675 -7.599 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.662 26.099 -6.806 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.045 24.621 -6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.827 27.220 -4.393 1.00 0.00 H new ATOM 0 HE1 HIS A 49 5.896 24.898 -2.831 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.506 27.014 -2.347 1.00 0.00 H new ATOM 754 N ALA A 50 4.797 22.134 -7.269 1.00 0.00 N ATOM 755 CA ALA A 50 4.899 20.658 -7.142 1.00 0.00 C ATOM 756 C ALA A 50 4.541 20.104 -5.739 1.00 0.00 C ATOM 757 O ALA A 50 5.359 20.144 -4.819 1.00 0.00 O ATOM 758 CB ALA A 50 6.332 20.319 -7.581 1.00 0.00 C ATOM 0 H ALA A 50 5.695 22.602 -7.395 1.00 0.00 H new ATOM 0 HA ALA A 50 4.154 20.169 -7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.488 19.242 -7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.484 20.646 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.042 20.829 -6.930 1.00 0.00 H new ATOM 764 N GLN A 51 3.299 19.623 -5.574 1.00 0.00 N ATOM 765 CA GLN A 51 2.678 19.427 -4.238 1.00 0.00 C ATOM 766 C GLN A 51 1.944 18.045 -4.177 1.00 0.00 C ATOM 767 O GLN A 51 2.530 17.021 -4.533 1.00 0.00 O ATOM 768 CB GLN A 51 1.851 20.705 -3.913 1.00 0.00 C ATOM 769 CG GLN A 51 2.718 21.898 -3.448 1.00 0.00 C ATOM 770 CD GLN A 51 1.905 23.093 -2.967 1.00 0.00 C ATOM 771 OE1 GLN A 51 0.996 23.585 -3.627 1.00 0.00 O ATOM 772 NE2 GLN A 51 2.220 23.631 -1.813 1.00 0.00 N ATOM 0 H GLN A 51 2.694 19.358 -6.351 1.00 0.00 H new ATOM 0 HA GLN A 51 3.402 19.339 -3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.288 20.999 -4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.124 20.470 -3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.374 21.567 -2.642 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.359 22.213 -4.271 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.974 23.232 -1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.711 24.448 -1.475 1.00 0.00 H new ATOM 781 N ARG A 52 0.722 18.012 -3.630 1.00 0.00 N ATOM 782 CA ARG A 52 0.025 16.780 -3.192 1.00 0.00 C ATOM 783 C ARG A 52 -0.260 15.702 -4.280 1.00 0.00 C ATOM 784 O ARG A 52 -0.714 16.016 -5.384 1.00 0.00 O ATOM 785 CB ARG A 52 -1.272 17.214 -2.445 1.00 0.00 C ATOM 786 CG ARG A 52 -2.547 17.510 -3.242 1.00 0.00 C ATOM 787 CD ARG A 52 -2.472 18.615 -4.305 1.00 0.00 C ATOM 788 NE ARG A 52 -3.719 18.647 -5.119 1.00 0.00 N ATOM 789 CZ ARG A 52 -4.070 17.718 -6.009 1.00 0.00 C ATOM 790 NH1 ARG A 52 -3.273 16.769 -6.436 1.00 0.00 N ATOM 791 NH2 ARG A 52 -5.290 17.714 -6.456 1.00 0.00 N ATOM 0 H ARG A 52 0.172 18.856 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 52 0.717 16.249 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.512 16.429 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.032 18.109 -1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.859 16.589 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.333 17.775 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.322 19.581 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.613 18.445 -4.954 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.350 19.437 -4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.317 16.709 -6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.609 16.090 -7.119 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.956 18.412 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.581 17.013 -7.137 1.00 0.00 H new ATOM 805 N TRP A 53 -0.083 14.433 -3.901 1.00 0.00 N ATOM 806 CA TRP A 53 -0.466 13.264 -4.751 1.00 0.00 C ATOM 807 C TRP A 53 -1.821 12.758 -4.213 1.00 0.00 C ATOM 808 O TRP A 53 -1.866 12.065 -3.192 1.00 0.00 O ATOM 809 CB TRP A 53 0.703 12.268 -4.648 1.00 0.00 C ATOM 810 CG TRP A 53 0.514 10.785 -5.083 1.00 0.00 C ATOM 811 CD1 TRP A 53 -0.436 10.236 -5.989 1.00 0.00 C ATOM 812 CD2 TRP A 53 1.156 9.671 -4.531 1.00 0.00 C ATOM 813 NE1 TRP A 53 -0.429 8.832 -5.981 1.00 0.00 N ATOM 814 CE2 TRP A 53 0.552 8.502 -5.069 1.00 0.00 C ATOM 815 CE3 TRP A 53 2.188 9.550 -3.540 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.956 7.215 -4.605 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.566 8.281 -3.117 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.958 7.127 -3.644 1.00 0.00 C ATOM 0 H TRP A 53 0.326 14.171 -3.004 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.614 13.472 -5.811 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.526 12.674 -5.237 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.029 12.260 -3.608 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.088 10.831 -6.611 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.016 8.200 -6.526 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.662 10.430 -3.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.491 6.322 -4.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.340 8.179 -2.371 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.275 6.155 -3.296 1.00 0.00 H new ATOM 829 N ASP A 54 -2.922 13.136 -4.878 1.00 0.00 N ATOM 830 CA ASP A 54 -4.285 12.877 -4.351 1.00 0.00 C ATOM 831 C ASP A 54 -4.988 11.532 -4.677 1.00 0.00 C ATOM 832 O ASP A 54 -6.088 11.307 -4.174 1.00 0.00 O ATOM 833 CB ASP A 54 -5.165 14.126 -4.568 1.00 0.00 C ATOM 834 CG ASP A 54 -5.659 14.460 -5.962 1.00 0.00 C ATOM 835 OD1 ASP A 54 -4.838 14.649 -6.885 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.882 14.641 -6.138 1.00 0.00 O ATOM 0 H ASP A 54 -2.905 13.619 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.127 12.700 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.041 14.023 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.604 14.987 -4.205 1.00 0.00 H new ATOM 841 N TYR A 55 -4.370 10.651 -5.462 1.00 0.00 N ATOM 842 CA TYR A 55 -5.107 9.760 -6.384 1.00 0.00 C ATOM 843 C TYR A 55 -5.546 8.391 -5.765 1.00 0.00 C ATOM 844 O TYR A 55 -4.771 7.708 -5.087 1.00 0.00 O ATOM 845 CB TYR A 55 -4.229 9.446 -7.638 1.00 0.00 C ATOM 846 CG TYR A 55 -3.579 10.606 -8.419 1.00 0.00 C ATOM 847 CD1 TYR A 55 -4.152 11.890 -8.532 1.00 0.00 C ATOM 848 CD2 TYR A 55 -2.335 10.381 -9.017 1.00 0.00 C ATOM 849 CE1 TYR A 55 -3.472 12.919 -9.191 1.00 0.00 C ATOM 850 CE2 TYR A 55 -1.652 11.415 -9.658 1.00 0.00 C ATOM 851 CZ TYR A 55 -2.218 12.682 -9.745 1.00 0.00 C ATOM 852 OH TYR A 55 -1.527 13.686 -10.354 1.00 0.00 O ATOM 0 H TYR A 55 -3.358 10.528 -5.485 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.014 10.310 -6.636 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.429 8.779 -7.318 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.849 8.887 -8.339 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.126 12.080 -8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.897 9.394 -8.982 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.921 13.898 -9.270 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.679 11.230 -10.089 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.761 14.543 -9.940 1.00 0.00 H new ATOM 862 N THR A 56 -6.758 7.948 -6.130 1.00 0.00 N ATOM 863 CA THR A 56 -7.162 6.523 -5.977 1.00 0.00 C ATOM 864 C THR A 56 -6.696 5.698 -7.204 1.00 0.00 C ATOM 865 O THR A 56 -7.050 5.986 -8.352 1.00 0.00 O ATOM 866 CB THR A 56 -8.678 6.378 -5.694 1.00 0.00 C ATOM 867 OG1 THR A 56 -8.919 6.821 -4.365 1.00 0.00 O ATOM 868 CG2 THR A 56 -9.235 4.958 -5.742 1.00 0.00 C ATOM 0 H THR A 56 -7.480 8.545 -6.533 1.00 0.00 H new ATOM 0 HA THR A 56 -6.660 6.115 -5.100 1.00 0.00 H new ATOM 0 HB THR A 56 -9.164 6.953 -6.483 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.874 6.741 -4.162 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.304 4.979 -5.529 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.071 4.536 -6.734 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.729 4.343 -4.998 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.500 0.714 -4.434 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.743 1.384 -3.346 1.00 0.00 C ATOM 1097 C LYS A 70 -5.133 2.889 -3.316 1.00 0.00 C ATOM 1098 O LYS A 70 -4.844 3.647 -4.250 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.223 1.110 -3.374 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.387 1.648 -4.542 1.00 0.00 C ATOM 1101 CD LYS A 70 -0.981 1.017 -4.552 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.021 1.650 -5.571 1.00 0.00 C ATOM 1103 NZ LYS A 70 0.761 2.760 -4.968 1.00 0.00 N ATOM 0 HA LYS A 70 -5.034 0.942 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.800 1.514 -2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.084 0.029 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.892 1.434 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.302 2.732 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.547 1.105 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.073 -0.048 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.660 0.889 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.589 2.025 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.089 3.401 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.160 3.286 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.582 2.371 -4.461 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.833 3.296 -2.250 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.557 4.596 -2.223 1.00 0.00 C ATOM 1119 C ASN A 71 -5.776 5.571 -1.282 1.00 0.00 C ATOM 1120 O ASN A 71 -5.885 5.484 -0.055 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.025 4.426 -1.764 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.906 3.392 -2.458 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.519 2.636 -3.344 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -10.147 3.287 -2.055 1.00 0.00 N ATOM 0 H ASN A 71 -5.920 2.753 -1.391 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.600 5.008 -3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.011 4.185 -0.701 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.515 5.395 -1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.763 2.591 -2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.498 3.901 -1.320 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.928 6.432 -1.866 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.896 7.179 -1.087 1.00 0.00 C ATOM 1133 C PHE A 72 -3.834 8.681 -1.499 1.00 0.00 C ATOM 1134 O PHE A 72 -3.332 9.017 -2.574 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.546 6.438 -1.306 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.457 6.776 -0.279 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.473 6.176 0.991 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.398 7.639 -0.602 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.454 6.426 1.910 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.623 7.883 0.319 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.593 7.278 1.572 1.00 0.00 C ATOM 0 H PHE A 72 -4.926 6.635 -2.866 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.144 7.194 -0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.728 5.364 -1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.174 6.676 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.283 5.514 1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.373 8.118 -1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.478 5.959 2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.438 8.543 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.383 7.470 2.283 1.00 0.00 H new ATOM 1151 N THR A 73 -4.305 9.574 -0.613 1.00 0.00 N ATOM 1152 CA THR A 73 -4.186 11.053 -0.811 1.00 0.00 C ATOM 1153 C THR A 73 -3.143 11.602 0.213 1.00 0.00 C ATOM 1154 O THR A 73 -3.359 11.576 1.431 1.00 0.00 O ATOM 1155 CB THR A 73 -5.584 11.721 -0.677 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.502 11.237 -1.655 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.617 13.248 -0.735 1.00 0.00 C ATOM 0 H THR A 73 -4.775 9.310 0.253 1.00 0.00 H new ATOM 0 HA THR A 73 -3.830 11.290 -1.814 1.00 0.00 H new ATOM 0 HB THR A 73 -5.875 11.434 0.333 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.328 11.677 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.645 13.594 -0.631 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.013 13.656 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.216 13.585 -1.691 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.020 12.112 -0.301 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.870 12.572 0.527 1.00 0.00 C ATOM 1167 C VAL A 74 -0.461 14.020 0.140 1.00 0.00 C ATOM 1168 O VAL A 74 -0.270 14.348 -1.034 1.00 0.00 O ATOM 1169 CB VAL A 74 0.297 11.539 0.479 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.817 11.211 -0.923 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.511 11.962 1.339 1.00 0.00 C ATOM 0 H VAL A 74 -1.869 12.223 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.170 12.621 1.574 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.170 10.643 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.626 10.484 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.008 10.794 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.187 12.121 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.291 11.204 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.897 12.916 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.202 12.065 2.379 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.297 14.863 1.163 1.00 0.00 N ATOM 1182 CA PHE A 75 0.032 16.296 0.997 1.00 0.00 C ATOM 1183 C PHE A 75 1.553 16.556 1.168 1.00 0.00 C ATOM 1184 O PHE A 75 2.205 15.995 2.056 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.812 17.120 2.006 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.288 17.250 1.582 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -3.233 16.280 1.954 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.701 18.315 0.767 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.558 16.378 1.527 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.027 18.413 0.342 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.953 17.445 0.722 1.00 0.00 C ATOM 0 H PHE A 75 -0.388 14.577 2.138 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.216 16.610 -0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.761 16.648 2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.379 18.115 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.931 15.450 2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.986 19.066 0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.277 15.627 1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.335 19.239 -0.281 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.979 17.521 0.393 1.00 0.00 H new ATOM 1201 N PHE A 76 2.093 17.430 0.311 1.00 0.00 N ATOM 1202 CA PHE A 76 3.530 17.795 0.320 1.00 0.00 C ATOM 1203 C PHE A 76 3.687 19.351 0.291 1.00 0.00 C ATOM 1204 O PHE A 76 2.928 20.061 -0.377 1.00 0.00 O ATOM 1205 CB PHE A 76 4.291 17.183 -0.886 1.00 0.00 C ATOM 1206 CG PHE A 76 4.234 15.656 -1.005 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.984 14.819 -0.166 1.00 0.00 C ATOM 1208 CD2 PHE A 76 3.385 15.070 -1.948 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.847 13.432 -0.245 1.00 0.00 C ATOM 1210 CE2 PHE A 76 3.279 13.688 -2.052 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.995 12.869 -1.192 1.00 0.00 C ATOM 0 H PHE A 76 1.554 17.908 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 76 3.962 17.391 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.889 17.615 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.336 17.485 -0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.672 15.250 0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.803 15.700 -2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.402 12.795 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.638 13.251 -2.804 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.892 11.796 -1.257 1.00 0.00 H new ATOM 1221 N GLU A 77 4.695 19.855 1.008 1.00 0.00 N ATOM 1222 CA GLU A 77 4.953 21.323 1.148 1.00 0.00 C ATOM 1223 C GLU A 77 5.497 21.958 -0.165 1.00 0.00 C ATOM 1224 O GLU A 77 4.805 22.743 -0.816 1.00 0.00 O ATOM 1225 CB GLU A 77 5.867 21.399 2.387 1.00 0.00 C ATOM 1226 CG GLU A 77 6.194 22.794 2.933 1.00 0.00 C ATOM 1227 CD GLU A 77 7.122 22.689 4.137 1.00 0.00 C ATOM 1228 OE1 GLU A 77 6.685 22.196 5.200 1.00 0.00 O ATOM 1229 OE2 GLU A 77 8.313 23.034 4.007 1.00 0.00 O ATOM 0 H GLU A 77 5.363 19.273 1.513 1.00 0.00 H new ATOM 0 HA GLU A 77 4.061 21.930 1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.400 20.824 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.807 20.903 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.664 23.395 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.274 23.305 3.218 1.00 0.00 H new ATOM 1236 N ASN A 78 6.681 21.513 -0.602 1.00 0.00 N ATOM 1237 CA ASN A 78 6.926 21.231 -2.046 1.00 0.00 C ATOM 1238 C ASN A 78 7.335 19.727 -2.158 1.00 0.00 C ATOM 1239 O ASN A 78 6.545 18.913 -2.641 1.00 0.00 O ATOM 1240 CB ASN A 78 7.915 22.260 -2.622 1.00 0.00 C ATOM 1241 CG ASN A 78 8.038 22.223 -4.139 1.00 0.00 C ATOM 1242 OD1 ASN A 78 9.074 21.624 -4.674 1.00 0.00 O flip ATOM 1243 ND2 ASN A 78 7.201 22.742 -4.869 1.00 0.00 N flip ATOM 0 H ASN A 78 7.483 21.338 0.004 1.00 0.00 H new ATOM 0 HA ASN A 78 6.041 21.356 -2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.602 23.259 -2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.898 22.087 -2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.391 23.211 -4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.315 22.705 -5.882 1.00 0.00 H new ATOM 1250 N GLU A 79 8.522 19.352 -1.657 1.00 0.00 N ATOM 1251 CA GLU A 79 8.894 17.931 -1.451 1.00 0.00 C ATOM 1252 C GLU A 79 8.532 17.349 -0.049 1.00 0.00 C ATOM 1253 O GLU A 79 8.078 16.204 0.008 1.00 0.00 O ATOM 1254 CB GLU A 79 10.404 17.736 -1.762 1.00 0.00 C ATOM 1255 CG GLU A 79 10.752 17.542 -3.251 1.00 0.00 C ATOM 1256 CD GLU A 79 10.073 16.363 -3.927 1.00 0.00 C ATOM 1257 OE1 GLU A 79 10.315 15.197 -3.543 1.00 0.00 O ATOM 1258 OE2 GLU A 79 9.238 16.610 -4.821 1.00 0.00 O ATOM 0 H GLU A 79 9.249 20.013 -1.383 1.00 0.00 H new ATOM 0 HA GLU A 79 8.284 17.358 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.949 18.603 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.763 16.870 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.487 18.451 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.831 17.420 -3.342 1.00 0.00 H new ATOM 1265 N GLN A 80 8.754 18.073 1.066 1.00 0.00 N ATOM 1266 CA GLN A 80 8.677 17.467 2.419 1.00 0.00 C ATOM 1267 C GLN A 80 7.231 17.214 2.913 1.00 0.00 C ATOM 1268 O GLN A 80 6.331 18.045 2.749 1.00 0.00 O ATOM 1269 CB GLN A 80 9.588 18.177 3.438 1.00 0.00 C ATOM 1270 CG GLN A 80 9.298 19.641 3.798 1.00 0.00 C ATOM 1271 CD GLN A 80 10.081 20.143 5.016 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.547 19.401 5.876 1.00 0.00 O ATOM 1273 NE2 GLN A 80 10.218 21.435 5.172 1.00 0.00 N ATOM 0 H GLN A 80 8.986 19.066 1.062 1.00 0.00 H new ATOM 0 HA GLN A 80 9.090 16.463 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.562 17.599 4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.609 18.127 3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.535 20.271 2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.231 19.754 3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.841 22.076 4.474 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.702 21.801 5.992 1.00 0.00 H new ATOM 1282 N VAL A 81 7.009 16.020 3.485 1.00 0.00 N ATOM 1283 CA VAL A 81 5.640 15.446 3.612 1.00 0.00 C ATOM 1284 C VAL A 81 4.851 16.121 4.777 1.00 0.00 C ATOM 1285 O VAL A 81 5.375 16.370 5.867 1.00 0.00 O ATOM 1286 CB VAL A 81 5.634 13.885 3.749 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.238 13.310 3.410 1.00 0.00 C ATOM 1288 CG2 VAL A 81 6.674 13.146 2.882 1.00 0.00 C ATOM 0 H VAL A 81 7.747 15.429 3.867 1.00 0.00 H new ATOM 0 HA VAL A 81 5.128 15.669 2.676 1.00 0.00 H new ATOM 0 HB VAL A 81 5.903 13.710 4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.257 12.225 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.498 13.726 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.975 13.574 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.589 12.072 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.493 13.366 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.676 13.477 3.154 1.00 0.00 H new ATOM 1298 N VAL A 82 3.597 16.455 4.488 1.00 0.00 N ATOM 1299 CA VAL A 82 2.680 17.154 5.434 1.00 0.00 C ATOM 1300 C VAL A 82 1.791 16.091 6.151 1.00 0.00 C ATOM 1301 O VAL A 82 1.909 15.937 7.370 1.00 0.00 O ATOM 1302 CB VAL A 82 1.908 18.271 4.658 1.00 0.00 C ATOM 1303 CG1 VAL A 82 0.831 18.990 5.492 1.00 0.00 C ATOM 1304 CG2 VAL A 82 2.858 19.361 4.096 1.00 0.00 C ATOM 0 H VAL A 82 3.167 16.254 3.585 1.00 0.00 H new ATOM 0 HA VAL A 82 3.213 17.672 6.231 1.00 0.00 H new ATOM 0 HB VAL A 82 1.421 17.726 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.343 19.749 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.090 18.266 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.296 19.465 6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.275 20.114 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.397 19.832 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.570 18.904 3.409 1.00 0.00 H new ATOM 1314 N ARG A 83 0.920 15.368 5.410 1.00 0.00 N ATOM 1315 CA ARG A 83 0.106 14.261 5.971 1.00 0.00 C ATOM 1316 C ARG A 83 -0.520 13.351 4.870 1.00 0.00 C ATOM 1317 O ARG A 83 -1.005 13.843 3.843 1.00 0.00 O ATOM 1318 CB ARG A 83 -0.966 14.742 6.982 1.00 0.00 C ATOM 1319 CG ARG A 83 -2.011 15.778 6.535 1.00 0.00 C ATOM 1320 CD ARG A 83 -3.449 15.259 6.404 1.00 0.00 C ATOM 1321 NE ARG A 83 -3.571 14.386 5.219 1.00 0.00 N ATOM 1322 CZ ARG A 83 -4.710 14.021 4.655 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -5.896 14.233 5.159 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -4.672 13.394 3.524 1.00 0.00 N ATOM 0 H ARG A 83 0.761 15.532 4.416 1.00 0.00 H new ATOM 0 HA ARG A 83 0.812 13.648 6.531 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.506 13.862 7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.442 15.156 7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.006 16.603 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.702 16.186 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.727 14.707 7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.140 16.098 6.319 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.708 14.037 4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.991 14.713 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.727 13.918 4.658 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.775 13.190 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.539 13.104 3.072 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.605 12.041 5.145 1.00 0.00 N ATOM 1339 CA TRP A 84 -1.333 11.068 4.299 1.00 0.00 C ATOM 1340 C TRP A 84 -2.622 10.498 4.956 1.00 0.00 C ATOM 1341 O TRP A 84 -2.661 10.171 6.145 1.00 0.00 O ATOM 1342 CB TRP A 84 -0.423 9.943 3.775 1.00 0.00 C ATOM 1343 CG TRP A 84 0.345 9.000 4.729 1.00 0.00 C ATOM 1344 CD1 TRP A 84 -0.090 7.747 5.243 1.00 0.00 C ATOM 1345 CD2 TRP A 84 1.700 9.058 5.049 1.00 0.00 C ATOM 1346 NE1 TRP A 84 0.945 7.050 5.892 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.046 7.865 5.743 1.00 0.00 C ATOM 1348 CE3 TRP A 84 2.714 10.018 4.732 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 3.395 7.634 6.127 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.018 9.775 5.135 1.00 0.00 C ATOM 1351 CH2 TRP A 84 4.352 8.597 5.822 1.00 0.00 C ATOM 0 H TRP A 84 -0.170 11.618 5.965 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.667 11.648 3.439 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -1.041 9.310 3.137 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.321 10.414 3.132 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.099 7.374 5.146 1.00 0.00 H new ATOM 0 HE1 TRP A 84 0.893 6.148 6.365 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.467 10.917 4.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.672 6.728 6.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.787 10.501 4.918 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.377 8.434 6.121 1.00 0.00 H new ATOM 1362 N GLU A 85 -3.644 10.337 4.108 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.825 9.486 4.399 1.00 0.00 C ATOM 1364 C GLU A 85 -4.758 8.227 3.482 1.00 0.00 C ATOM 1365 O GLU A 85 -4.698 8.328 2.249 1.00 0.00 O ATOM 1366 CB GLU A 85 -6.149 10.290 4.283 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.559 10.684 2.860 1.00 0.00 C ATOM 1368 CD GLU A 85 -7.482 11.863 2.673 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -7.397 12.850 3.431 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -8.257 11.862 1.697 1.00 0.00 O ATOM 0 H GLU A 85 -3.685 10.791 3.195 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.808 9.145 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.952 9.699 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.056 11.197 4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.648 10.885 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.033 9.817 2.400 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.743 7.052 4.110 1.00 0.00 N ATOM 1378 CA GLY A 86 -4.736 5.767 3.393 1.00 0.00 C ATOM 1379 C GLY A 86 -6.021 4.967 3.616 1.00 0.00 C ATOM 1380 O GLY A 86 -6.212 4.364 4.674 1.00 0.00 O ATOM 0 H GLY A 86 -4.735 6.958 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.606 5.950 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.881 5.175 3.722 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.866 4.931 2.586 1.00 0.00 N ATOM 1385 CA ASP A 87 -8.099 4.084 2.563 1.00 0.00 C ATOM 1386 C ASP A 87 -7.774 2.726 1.868 1.00 0.00 C ATOM 1387 O ASP A 87 -8.245 2.398 0.777 1.00 0.00 O ATOM 1388 CB ASP A 87 -9.153 4.997 1.904 1.00 0.00 C ATOM 1389 CG ASP A 87 -10.506 4.389 1.613 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -11.253 4.046 2.555 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -10.878 4.277 0.425 1.00 0.00 O ATOM 0 H ASP A 87 -6.732 5.480 1.737 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.492 3.761 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.303 5.862 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.740 5.368 0.966 1.00 0.00 H new ATOM 1396 N TYR A 88 -6.886 1.944 2.500 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.087 0.940 1.770 1.00 0.00 C ATOM 1398 C TYR A 88 -6.867 -0.403 1.521 1.00 0.00 C ATOM 1399 O TYR A 88 -7.753 -0.790 2.289 1.00 0.00 O ATOM 1400 CB TYR A 88 -4.790 0.574 2.534 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.856 1.651 3.077 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -2.834 2.210 2.294 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -3.914 1.974 4.439 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -1.883 3.055 2.872 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -2.968 2.822 5.014 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.953 3.364 4.231 1.00 0.00 C ATOM 1407 OH TYR A 88 -1.071 4.237 4.789 1.00 0.00 O ATOM 0 H TYR A 88 -6.702 1.984 3.502 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.857 1.412 0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.085 -0.046 3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.197 -0.054 1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.782 1.986 1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -4.702 1.561 5.052 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.092 3.470 2.265 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.023 3.058 6.066 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.268 4.335 5.744 1.00 0.00 H new ATOM 1667 N GLY A 105 9.262 11.390 11.663 1.00 0.00 N ATOM 1668 CA GLY A 105 7.930 11.139 11.081 1.00 0.00 C ATOM 1669 C GLY A 105 7.010 12.355 11.046 1.00 0.00 C ATOM 1670 O GLY A 105 6.210 12.533 11.967 1.00 0.00 O ATOM 0 HA2 GLY A 105 8.057 10.767 10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.443 10.348 11.651 1.00 0.00 H new ATOM 1674 N ARG A 106 7.073 13.160 9.972 1.00 0.00 N ATOM 1675 CA ARG A 106 6.160 14.327 9.812 1.00 0.00 C ATOM 1676 C ARG A 106 4.855 13.922 9.057 1.00 0.00 C ATOM 1677 O ARG A 106 4.738 14.068 7.838 1.00 0.00 O ATOM 1678 CB ARG A 106 6.936 15.498 9.148 1.00 0.00 C ATOM 1679 CG ARG A 106 6.290 16.866 9.459 1.00 0.00 C ATOM 1680 CD ARG A 106 7.027 18.075 8.860 1.00 0.00 C ATOM 1681 NE ARG A 106 6.622 18.283 7.451 1.00 0.00 N ATOM 1682 CZ ARG A 106 6.645 19.445 6.810 1.00 0.00 C ATOM 1683 NH1 ARG A 106 7.177 20.544 7.275 1.00 0.00 N ATOM 1684 NH2 ARG A 106 6.110 19.519 5.634 1.00 0.00 N ATOM 0 H ARG A 106 7.734 13.035 9.205 1.00 0.00 H new ATOM 0 HA ARG A 106 5.825 14.678 10.788 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.968 15.495 9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.966 15.348 8.069 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.265 16.862 9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.236 16.990 10.541 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.806 18.969 9.444 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.104 17.916 8.915 1.00 0.00 H new ATOM 0 HE ARG A 106 6.299 17.467 6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.617 20.548 8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.153 21.398 6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.681 18.693 5.216 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.117 20.403 5.125 1.00 0.00 H new ATOM 1698 N ASN A 107 3.887 13.395 9.821 1.00 0.00 N ATOM 1699 CA ASN A 107 2.578 12.946 9.284 1.00 0.00 C ATOM 1700 C ASN A 107 1.478 13.221 10.351 1.00 0.00 C ATOM 1701 O ASN A 107 1.254 12.405 11.250 1.00 0.00 O ATOM 1702 CB ASN A 107 2.698 11.449 8.892 1.00 0.00 C ATOM 1703 CG ASN A 107 1.432 10.807 8.338 1.00 0.00 C ATOM 1704 OD1 ASN A 107 0.602 11.422 7.675 1.00 0.00 O ATOM 1705 ND2 ASN A 107 1.235 9.536 8.584 1.00 0.00 N ATOM 0 H ASN A 107 3.982 13.265 10.828 1.00 0.00 H new ATOM 0 HA ASN A 107 2.293 13.494 8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 107 3.489 11.349 8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 107 3.014 10.887 9.771 1.00 0.00 H new ATOM 0 HD21 ASN A 107 0.401 9.071 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.916 9.011 9.133 1.00 0.00 H new ATOM 1712 N LEU A 108 0.753 14.341 10.214 1.00 0.00 N ATOM 1713 CA LEU A 108 -0.453 14.619 11.053 1.00 0.00 C ATOM 1714 C LEU A 108 -1.716 13.997 10.383 1.00 0.00 C ATOM 1715 O LEU A 108 -2.472 14.678 9.683 1.00 0.00 O ATOM 1716 CB LEU A 108 -0.504 16.149 11.272 1.00 0.00 C ATOM 1717 CG LEU A 108 -1.372 16.723 12.412 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -2.878 16.539 12.223 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -0.949 16.229 13.800 1.00 0.00 C ATOM 0 H LEU A 108 0.968 15.074 9.538 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.411 14.151 12.036 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.518 16.490 11.436 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.846 16.601 10.341 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.179 17.794 12.355 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.407 16.973 13.072 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.193 17.037 11.306 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.109 15.476 12.156 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.599 16.669 14.556 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.030 15.143 13.840 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.083 16.523 13.992 1.00 0.00 H new ATOM 1731 N ALA A 109 -1.919 12.680 10.568 1.00 0.00 N ATOM 1732 CA ALA A 109 -2.918 11.913 9.783 1.00 0.00 C ATOM 1733 C ALA A 109 -4.386 12.127 10.270 1.00 0.00 C ATOM 1734 O ALA A 109 -4.871 11.545 11.243 1.00 0.00 O ATOM 1735 CB ALA A 109 -2.530 10.437 9.840 1.00 0.00 C ATOM 0 H ALA A 109 -1.408 12.121 11.251 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.903 12.278 8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.249 9.849 9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.535 10.306 9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.528 10.101 10.877 1.00 0.00 H new ATOM 1741 N ARG A 110 -5.034 13.036 9.549 1.00 0.00 N ATOM 1742 CA ARG A 110 -6.342 13.616 9.933 1.00 0.00 C ATOM 1743 C ARG A 110 -7.229 13.806 8.675 1.00 0.00 C ATOM 1744 O ARG A 110 -6.978 14.713 7.869 1.00 0.00 O ATOM 1745 CB ARG A 110 -6.060 14.936 10.718 1.00 0.00 C ATOM 1746 CG ARG A 110 -7.286 15.822 11.040 1.00 0.00 C ATOM 1747 CD ARG A 110 -7.407 17.060 10.124 1.00 0.00 C ATOM 1748 NE ARG A 110 -8.830 17.413 9.871 1.00 0.00 N ATOM 1749 CZ ARG A 110 -9.476 17.248 8.715 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -8.909 16.873 7.599 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -10.761 17.438 8.678 1.00 0.00 N ATOM 0 H ARG A 110 -4.672 13.403 8.669 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.908 12.952 10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.570 14.677 11.657 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -5.351 15.531 10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.192 15.223 10.949 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.224 16.151 12.077 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.897 17.906 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.906 16.863 9.176 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.356 17.815 10.647 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.907 16.685 7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.469 16.768 6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.261 17.709 9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.270 17.316 7.802 1.00 0.00 H new ATOM 1765 N ASP A 111 -8.313 13.014 8.567 1.00 0.00 N ATOM 1766 CA ASP A 111 -9.561 13.450 7.884 1.00 0.00 C ATOM 1767 C ASP A 111 -10.827 12.650 8.354 1.00 0.00 C ATOM 1768 O ASP A 111 -10.747 11.587 8.975 1.00 0.00 O ATOM 1769 CB ASP A 111 -9.425 13.455 6.345 1.00 0.00 C ATOM 1770 CG ASP A 111 -10.187 14.558 5.610 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -10.806 15.440 6.253 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -10.151 14.559 4.366 1.00 0.00 O ATOM 0 H ASP A 111 -8.356 12.067 8.942 1.00 0.00 H new ATOM 0 HA ASP A 111 -9.716 14.484 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.368 13.541 6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.765 12.491 5.967 1.00 0.00 H new ATOM 1777 N LYS A 112 -12.001 13.198 7.999 1.00 0.00 N ATOM 1778 CA LYS A 112 -13.290 12.445 8.052 1.00 0.00 C ATOM 1779 C LYS A 112 -14.010 12.495 6.662 1.00 0.00 C ATOM 1780 O LYS A 112 -15.073 13.095 6.492 1.00 0.00 O ATOM 1781 CB LYS A 112 -14.109 13.010 9.234 1.00 0.00 C ATOM 1782 CG LYS A 112 -15.375 12.228 9.635 1.00 0.00 C ATOM 1783 CD LYS A 112 -15.081 10.875 10.309 1.00 0.00 C ATOM 1784 CE LYS A 112 -16.372 10.178 10.769 1.00 0.00 C ATOM 1785 NZ LYS A 112 -16.035 8.882 11.422 1.00 0.00 N ATOM 0 H LYS A 112 -12.096 14.159 7.671 1.00 0.00 H new ATOM 0 HA LYS A 112 -13.140 11.382 8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -13.455 13.068 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -14.403 14.030 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -15.969 12.840 10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -15.982 12.056 8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -14.547 10.229 9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -14.425 11.030 11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -16.914 10.818 11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -17.029 10.007 9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -16.909 8.412 11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -15.536 8.271 10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -15.425 9.057 12.246 1.00 0.00 H new