USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 734 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 90 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Set 2.1: A 68 ASN : amide:sc= -1.49 K(o=-1.6,f=-3.6!) USER MOD Set 2.2: A 69 ASN : amide:sc= -0.0821 X(o=-1.6,f=-2) USER MOD Set 3.1: A 64 LYS NZ :NH3+ -174:sc= 0.149 (180deg=0) USER MOD Set 3.2: A 75 HIS : no HD1:sc= -0.665 K(o=-0.52,f=-2.5) USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.6 K(o=-8.2,f=-7.2) USER MOD Set 4.2: A 48 HIS : no HD1:sc= -7.61! C(o=-8.2!,f=-7.2!) USER MOD Set 5.1: A 43 LYS NZ :NH3+ -147:sc= 0.0302 (180deg=0) USER MOD Set 5.2: A 58 GLN : amide:sc= -0.445 K(o=-0.42,f=-2.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -3.54! C(o=-3.5!,f=-6.5!) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.103) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -66:sc= 0.161 USER MOD Single : A 54 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.35) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -52:sc= 0.238 USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.0931 (180deg=-0.472) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 74 GLN : amide:sc= -0.125 K(o=-0.12,f=-2.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 89 SER OG : rot -165:sc= 0.0183 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LEU A 15 10.916 -3.468 -11.402 1.00 0.00 N ATOM 164 CA LEU A 15 9.636 -2.971 -10.909 1.00 0.00 C ATOM 165 C LEU A 15 8.587 -4.078 -10.904 1.00 0.00 C ATOM 166 O LEU A 15 8.352 -4.729 -11.922 1.00 0.00 O ATOM 167 CB LEU A 15 9.155 -1.802 -11.771 1.00 0.00 C ATOM 168 CG LEU A 15 9.735 -0.430 -11.424 1.00 0.00 C ATOM 169 CD1 LEU A 15 9.419 0.576 -12.520 1.00 0.00 C ATOM 170 CD2 LEU A 15 9.198 0.053 -10.084 1.00 0.00 C ATOM 0 HA LEU A 15 9.778 -2.626 -9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.392 -2.022 -12.812 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.069 -1.745 -11.697 1.00 0.00 H new ATOM 0 HG LEU A 15 10.818 -0.524 -11.347 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.840 1.546 -12.256 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.852 0.237 -13.461 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.338 0.667 -12.630 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.621 1.031 -9.853 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.112 0.131 -10.134 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.476 -0.656 -9.304 1.00 0.00 H new ATOM 182 N ALA A 16 7.959 -4.285 -9.752 1.00 0.00 N ATOM 183 CA ALA A 16 6.932 -5.311 -9.615 1.00 0.00 C ATOM 184 C ALA A 16 5.548 -4.686 -9.469 1.00 0.00 C ATOM 185 O ALA A 16 5.355 -3.755 -8.688 1.00 0.00 O ATOM 186 CB ALA A 16 7.237 -6.208 -8.424 1.00 0.00 C ATOM 0 H ALA A 16 8.143 -3.756 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 16 6.935 -5.916 -10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.462 -6.969 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.204 -6.690 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.264 -5.608 -7.514 1.00 0.00 H new ATOM 192 N THR A 17 4.587 -5.205 -10.227 1.00 0.00 N ATOM 193 CA THR A 17 3.222 -4.697 -10.183 1.00 0.00 C ATOM 194 C THR A 17 2.579 -4.963 -8.826 1.00 0.00 C ATOM 195 O THR A 17 2.261 -6.104 -8.491 1.00 0.00 O ATOM 196 CB THR A 17 2.351 -5.332 -11.284 1.00 0.00 C ATOM 197 OG1 THR A 17 3.002 -5.213 -12.553 1.00 0.00 O ATOM 198 CG2 THR A 17 0.985 -4.665 -11.344 1.00 0.00 C ATOM 0 H THR A 17 4.729 -5.977 -10.879 1.00 0.00 H new ATOM 0 HA THR A 17 3.280 -3.621 -10.350 1.00 0.00 H new ATOM 0 HB THR A 17 2.213 -6.386 -11.045 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.443 -5.620 -13.247 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.387 -5.130 -12.128 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.480 -4.783 -10.385 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.107 -3.604 -11.561 1.00 0.00 H new ATOM 206 N VAL A 18 2.390 -3.901 -8.048 1.00 0.00 N ATOM 207 CA VAL A 18 1.784 -4.020 -6.728 1.00 0.00 C ATOM 208 C VAL A 18 0.390 -3.403 -6.706 1.00 0.00 C ATOM 209 O VAL A 18 0.239 -2.183 -6.635 1.00 0.00 O ATOM 210 CB VAL A 18 2.650 -3.342 -5.650 1.00 0.00 C ATOM 211 CG1 VAL A 18 1.990 -3.458 -4.284 1.00 0.00 C ATOM 212 CG2 VAL A 18 4.046 -3.947 -5.630 1.00 0.00 C ATOM 0 H VAL A 18 2.648 -2.949 -8.310 1.00 0.00 H new ATOM 0 HA VAL A 18 1.711 -5.085 -6.508 1.00 0.00 H new ATOM 0 HB VAL A 18 2.741 -2.284 -5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.616 -2.973 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.014 -2.974 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.866 -4.510 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.644 -3.456 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.978 -5.012 -5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.517 -3.806 -6.603 1.00 0.00 H new ATOM 222 N LYS A 19 -0.629 -4.254 -6.768 1.00 0.00 N ATOM 223 CA LYS A 19 -2.012 -3.795 -6.753 1.00 0.00 C ATOM 224 C LYS A 19 -2.439 -3.398 -5.344 1.00 0.00 C ATOM 225 O LYS A 19 -2.291 -4.172 -4.398 1.00 0.00 O ATOM 226 CB LYS A 19 -2.940 -4.888 -7.290 1.00 0.00 C ATOM 227 CG LYS A 19 -2.833 -5.093 -8.791 1.00 0.00 C ATOM 228 CD LYS A 19 -3.876 -6.077 -9.294 1.00 0.00 C ATOM 229 CE LYS A 19 -3.406 -6.792 -10.552 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.127 -8.078 -10.761 1.00 0.00 N ATOM 0 H LYS A 19 -0.522 -5.267 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.084 -2.918 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.711 -5.827 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.970 -4.634 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.958 -4.137 -9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.837 -5.459 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.091 -6.810 -8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.807 -5.549 -9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.559 -6.145 -11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.335 -6.983 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.778 -8.535 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.961 -8.705 -9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.146 -7.894 -10.853 1.00 0.00 H new ATOM 244 N VAL A 20 -2.971 -2.187 -5.210 1.00 0.00 N ATOM 245 CA VAL A 20 -3.422 -1.689 -3.916 1.00 0.00 C ATOM 246 C VAL A 20 -4.930 -1.462 -3.910 1.00 0.00 C ATOM 247 O VAL A 20 -5.515 -1.078 -4.923 1.00 0.00 O ATOM 248 CB VAL A 20 -2.714 -0.372 -3.544 1.00 0.00 C ATOM 249 CG1 VAL A 20 -3.244 0.164 -2.223 1.00 0.00 C ATOM 250 CG2 VAL A 20 -1.208 -0.578 -3.480 1.00 0.00 C ATOM 0 H VAL A 20 -3.100 -1.533 -5.982 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.169 -2.450 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.924 0.366 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.732 1.094 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.315 0.350 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.065 -0.568 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.723 0.362 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.975 -1.330 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.845 -0.913 -4.452 1.00 0.00 H new ATOM 260 N VAL A 21 -5.554 -1.700 -2.761 1.00 0.00 N ATOM 261 CA VAL A 21 -6.994 -1.521 -2.621 1.00 0.00 C ATOM 262 C VAL A 21 -7.334 -0.793 -1.325 1.00 0.00 C ATOM 263 O VAL A 21 -6.921 -1.207 -0.241 1.00 0.00 O ATOM 264 CB VAL A 21 -7.733 -2.871 -2.647 1.00 0.00 C ATOM 265 CG1 VAL A 21 -9.220 -2.671 -2.397 1.00 0.00 C ATOM 266 CG2 VAL A 21 -7.498 -3.582 -3.971 1.00 0.00 C ATOM 0 H VAL A 21 -5.084 -2.017 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.322 -0.920 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.336 -3.498 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.726 -3.636 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.366 -2.207 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.636 -2.026 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.028 -4.535 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.866 -2.961 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.431 -3.760 -4.104 1.00 0.00 H new ATOM 276 N LEU A 22 -8.088 0.294 -1.444 1.00 0.00 N ATOM 277 CA LEU A 22 -8.485 1.081 -0.282 1.00 0.00 C ATOM 278 C LEU A 22 -9.592 0.380 0.498 1.00 0.00 C ATOM 279 O LEU A 22 -10.614 -0.009 -0.069 1.00 0.00 O ATOM 280 CB LEU A 22 -8.954 2.471 -0.718 1.00 0.00 C ATOM 281 CG LEU A 22 -7.852 3.469 -1.074 1.00 0.00 C ATOM 282 CD1 LEU A 22 -8.426 4.641 -1.856 1.00 0.00 C ATOM 283 CD2 LEU A 22 -7.149 3.959 0.184 1.00 0.00 C ATOM 0 H LEU A 22 -8.437 0.651 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.617 1.185 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.607 2.357 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.558 2.897 0.083 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.119 2.963 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.627 5.341 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.883 4.276 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.180 5.147 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.368 4.668 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.871 4.448 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.704 3.112 0.705 1.00 0.00 H new ATOM 295 N ILE A 23 -9.384 0.224 1.801 1.00 0.00 N ATOM 296 CA ILE A 23 -10.366 -0.426 2.659 1.00 0.00 C ATOM 297 C ILE A 23 -11.600 0.450 2.846 1.00 0.00 C ATOM 298 O ILE A 23 -12.723 0.061 2.525 1.00 0.00 O ATOM 299 CB ILE A 23 -9.773 -0.760 4.041 1.00 0.00 C ATOM 300 CG1 ILE A 23 -9.166 -2.165 4.034 1.00 0.00 C ATOM 301 CG2 ILE A 23 -10.842 -0.644 5.118 1.00 0.00 C ATOM 302 CD1 ILE A 23 -10.153 -3.248 3.657 1.00 0.00 C ATOM 0 H ILE A 23 -8.544 0.539 2.286 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.654 -1.353 2.162 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.982 -0.044 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.330 -2.187 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.761 -2.382 5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.408 -0.883 6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.232 0.374 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.653 -1.340 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.654 -4.217 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.978 -3.253 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.540 -3.055 2.656 1.00 0.00 H new ATOM 314 N PRO A 24 -11.388 1.664 3.377 1.00 0.00 N ATOM 315 CA PRO A 24 -12.471 2.622 3.616 1.00 0.00 C ATOM 316 C PRO A 24 -13.047 3.182 2.320 1.00 0.00 C ATOM 317 O PRO A 24 -14.254 3.399 2.208 1.00 0.00 O ATOM 318 CB PRO A 24 -11.791 3.732 4.422 1.00 0.00 C ATOM 319 CG PRO A 24 -10.353 3.649 4.041 1.00 0.00 C ATOM 320 CD PRO A 24 -10.076 2.194 3.783 1.00 0.00 C ATOM 0 HA PRO A 24 -13.317 2.162 4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.209 4.709 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.926 3.583 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.149 4.248 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.715 4.032 4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.329 2.060 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.698 1.693 4.674 1.00 0.00 H new ATOM 328 N VAL A 25 -12.177 3.413 1.342 1.00 0.00 N ATOM 329 CA VAL A 25 -12.600 3.945 0.052 1.00 0.00 C ATOM 330 C VAL A 25 -13.138 2.840 -0.849 1.00 0.00 C ATOM 331 O VAL A 25 -14.127 3.027 -1.556 1.00 0.00 O ATOM 332 CB VAL A 25 -11.441 4.661 -0.667 1.00 0.00 C ATOM 333 CG1 VAL A 25 -11.975 5.589 -1.747 1.00 0.00 C ATOM 334 CG2 VAL A 25 -10.587 5.427 0.332 1.00 0.00 C ATOM 0 H VAL A 25 -11.175 3.240 1.419 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.394 4.665 0.252 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.813 3.909 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.142 6.086 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.540 5.010 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.626 6.337 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.773 5.927 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.201 6.170 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.174 4.734 1.065 1.00 0.00 H new ATOM 344 N GLY A 26 -12.478 1.686 -0.819 1.00 0.00 N ATOM 345 CA GLY A 26 -12.905 0.566 -1.638 1.00 0.00 C ATOM 346 C GLY A 26 -12.458 0.699 -3.080 1.00 0.00 C ATOM 347 O GLY A 26 -12.805 -0.128 -3.923 1.00 0.00 O ATOM 0 H GLY A 26 -11.656 1.507 -0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.506 -0.358 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.992 0.488 -1.603 1.00 0.00 H new ATOM 351 N GLN A 27 -11.686 1.743 -3.365 1.00 0.00 N ATOM 352 CA GLN A 27 -11.194 1.982 -4.717 1.00 0.00 C ATOM 353 C GLN A 27 -9.847 1.300 -4.934 1.00 0.00 C ATOM 354 O GLN A 27 -9.011 1.257 -4.032 1.00 0.00 O ATOM 355 CB GLN A 27 -11.067 3.484 -4.978 1.00 0.00 C ATOM 356 CG GLN A 27 -10.750 3.825 -6.425 1.00 0.00 C ATOM 357 CD GLN A 27 -10.165 5.215 -6.582 1.00 0.00 C ATOM 358 OE1 GLN A 27 -10.641 6.013 -7.391 1.00 0.00 O ATOM 359 NE2 GLN A 27 -9.128 5.512 -5.809 1.00 0.00 N ATOM 0 H GLN A 27 -11.388 2.436 -2.679 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.912 1.558 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.998 3.974 -4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.284 3.891 -4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.047 3.092 -6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.660 3.748 -7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.766 4.820 -5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.693 6.432 -5.871 1.00 0.00 H new ATOM 368 N GLU A 28 -9.645 0.769 -6.135 1.00 0.00 N ATOM 369 CA GLU A 28 -8.399 0.088 -6.469 1.00 0.00 C ATOM 370 C GLU A 28 -7.386 1.065 -7.058 1.00 0.00 C ATOM 371 O GLU A 28 -7.757 2.057 -7.686 1.00 0.00 O ATOM 372 CB GLU A 28 -8.662 -1.049 -7.459 1.00 0.00 C ATOM 373 CG GLU A 28 -7.697 -2.214 -7.319 1.00 0.00 C ATOM 374 CD GLU A 28 -6.465 -2.058 -8.189 1.00 0.00 C ATOM 375 OE1 GLU A 28 -6.599 -1.553 -9.323 1.00 0.00 O ATOM 376 OE2 GLU A 28 -5.366 -2.441 -7.735 1.00 0.00 O ATOM 0 H GLU A 28 -10.327 0.797 -6.893 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.985 -0.328 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.680 -1.413 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.600 -0.657 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.392 -2.305 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.209 -3.139 -7.583 1.00 0.00 H new ATOM 383 N ILE A 29 -6.105 0.778 -6.849 1.00 0.00 N ATOM 384 CA ILE A 29 -5.038 1.631 -7.359 1.00 0.00 C ATOM 385 C ILE A 29 -3.824 0.805 -7.768 1.00 0.00 C ATOM 386 O ILE A 29 -3.304 0.013 -6.983 1.00 0.00 O ATOM 387 CB ILE A 29 -4.606 2.676 -6.314 1.00 0.00 C ATOM 388 CG1 ILE A 29 -5.805 3.522 -5.880 1.00 0.00 C ATOM 389 CG2 ILE A 29 -3.502 3.561 -6.875 1.00 0.00 C ATOM 390 CD1 ILE A 29 -5.504 4.448 -4.722 1.00 0.00 C ATOM 0 H ILE A 29 -5.781 -0.038 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.435 2.147 -8.233 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.218 2.154 -5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.148 4.114 -6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.625 2.860 -5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.207 4.295 -6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.642 2.946 -7.139 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.866 4.077 -7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.399 5.016 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.190 3.861 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.706 5.135 -5.003 1.00 0.00 H new ATOM 402 N VAL A 30 -3.374 0.998 -9.004 1.00 0.00 N ATOM 403 CA VAL A 30 -2.218 0.274 -9.519 1.00 0.00 C ATOM 404 C VAL A 30 -1.018 1.200 -9.683 1.00 0.00 C ATOM 405 O VAL A 30 -1.074 2.179 -10.427 1.00 0.00 O ATOM 406 CB VAL A 30 -2.528 -0.391 -10.873 1.00 0.00 C ATOM 407 CG1 VAL A 30 -1.353 -1.240 -11.334 1.00 0.00 C ATOM 408 CG2 VAL A 30 -3.796 -1.227 -10.777 1.00 0.00 C ATOM 0 H VAL A 30 -3.793 1.650 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.980 -0.500 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.691 0.392 -11.614 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.591 -1.701 -12.292 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.470 -0.610 -11.444 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.154 -2.018 -10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.001 -1.690 -11.742 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.664 -2.003 -10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.633 -0.588 -10.497 1.00 0.00 H new ATOM 418 N ILE A 31 0.067 0.883 -8.984 1.00 0.00 N ATOM 419 CA ILE A 31 1.282 1.686 -9.054 1.00 0.00 C ATOM 420 C ILE A 31 2.526 0.814 -8.919 1.00 0.00 C ATOM 421 O ILE A 31 2.629 -0.029 -8.027 1.00 0.00 O ATOM 422 CB ILE A 31 1.305 2.768 -7.959 1.00 0.00 C ATOM 423 CG1 ILE A 31 2.591 3.592 -8.053 1.00 0.00 C ATOM 424 CG2 ILE A 31 1.175 2.132 -6.583 1.00 0.00 C ATOM 425 CD1 ILE A 31 2.796 4.527 -6.882 1.00 0.00 C ATOM 0 H ILE A 31 0.130 0.076 -8.363 1.00 0.00 H new ATOM 0 HA ILE A 31 1.285 2.170 -10.031 1.00 0.00 H new ATOM 0 HB ILE A 31 0.457 3.436 -8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.443 2.915 -8.120 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.573 4.175 -8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.193 2.910 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.234 1.585 -6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.005 1.444 -6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.726 5.079 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.963 5.228 -6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.846 3.949 -5.959 1.00 0.00 H new ATOM 437 N PRO A 32 3.495 1.021 -9.822 1.00 0.00 N ATOM 438 CA PRO A 32 4.751 0.266 -9.823 1.00 0.00 C ATOM 439 C PRO A 32 5.643 0.623 -8.639 1.00 0.00 C ATOM 440 O PRO A 32 5.989 1.788 -8.439 1.00 0.00 O ATOM 441 CB PRO A 32 5.415 0.682 -11.138 1.00 0.00 C ATOM 442 CG PRO A 32 4.848 2.026 -11.439 1.00 0.00 C ATOM 443 CD PRO A 32 3.439 2.009 -10.913 1.00 0.00 C ATOM 0 HA PRO A 32 4.581 -0.807 -9.737 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.500 0.723 -11.038 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.195 -0.028 -11.935 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.433 2.812 -10.962 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.862 2.224 -12.511 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.133 2.991 -10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.726 1.717 -11.684 1.00 0.00 H new ATOM 451 N PHE A 33 6.013 -0.385 -7.857 1.00 0.00 N ATOM 452 CA PHE A 33 6.865 -0.177 -6.692 1.00 0.00 C ATOM 453 C PHE A 33 8.136 -1.015 -6.791 1.00 0.00 C ATOM 454 O PHE A 33 8.185 -2.008 -7.518 1.00 0.00 O ATOM 455 CB PHE A 33 6.107 -0.527 -5.410 1.00 0.00 C ATOM 456 CG PHE A 33 6.786 -0.042 -4.161 1.00 0.00 C ATOM 457 CD1 PHE A 33 7.158 1.286 -4.031 1.00 0.00 C ATOM 458 CD2 PHE A 33 7.051 -0.914 -3.117 1.00 0.00 C ATOM 459 CE1 PHE A 33 7.783 1.736 -2.882 1.00 0.00 C ATOM 460 CE2 PHE A 33 7.674 -0.470 -1.967 1.00 0.00 C ATOM 461 CZ PHE A 33 8.042 0.857 -1.849 1.00 0.00 C ATOM 0 H PHE A 33 5.736 -1.355 -8.009 1.00 0.00 H new ATOM 0 HA PHE A 33 7.147 0.875 -6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.106 -0.098 -5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.987 -1.609 -5.352 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.958 1.978 -4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.767 -1.952 -3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.068 2.774 -2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.874 -1.160 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.531 1.206 -0.951 1.00 0.00 H new ATOM 471 N LYS A 34 9.165 -0.609 -6.054 1.00 0.00 N ATOM 472 CA LYS A 34 10.437 -1.321 -6.057 1.00 0.00 C ATOM 473 C LYS A 34 10.457 -2.403 -4.981 1.00 0.00 C ATOM 474 O LYS A 34 10.155 -2.141 -3.817 1.00 0.00 O ATOM 475 CB LYS A 34 11.593 -0.343 -5.832 1.00 0.00 C ATOM 476 CG LYS A 34 11.893 0.530 -7.038 1.00 0.00 C ATOM 477 CD LYS A 34 12.621 -0.247 -8.122 1.00 0.00 C ATOM 478 CE LYS A 34 13.435 0.675 -9.018 1.00 0.00 C ATOM 479 NZ LYS A 34 12.599 1.758 -9.605 1.00 0.00 N ATOM 0 H LYS A 34 9.142 0.210 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 34 10.556 -1.798 -7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.357 0.296 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.489 -0.906 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.962 0.930 -7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.500 1.382 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.280 -0.984 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.898 -0.797 -8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.248 1.116 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.891 0.093 -9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.155 2.281 -10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.762 1.342 -10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.295 2.409 -8.853 1.00 0.00 H new ATOM 493 N VAL A 35 10.815 -3.620 -5.379 1.00 0.00 N ATOM 494 CA VAL A 35 10.876 -4.741 -4.449 1.00 0.00 C ATOM 495 C VAL A 35 12.108 -4.647 -3.556 1.00 0.00 C ATOM 496 O VAL A 35 12.104 -5.125 -2.422 1.00 0.00 O ATOM 497 CB VAL A 35 10.898 -6.088 -5.195 1.00 0.00 C ATOM 498 CG1 VAL A 35 9.603 -6.292 -5.967 1.00 0.00 C ATOM 499 CG2 VAL A 35 12.100 -6.164 -6.124 1.00 0.00 C ATOM 0 H VAL A 35 11.067 -3.854 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 35 9.979 -4.690 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 35 10.985 -6.889 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.637 -7.249 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.762 -6.285 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.482 -5.488 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.099 -7.123 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.047 -5.356 -6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.016 -6.067 -5.542 1.00 0.00 H new ATOM 509 N ASP A 36 13.163 -4.027 -4.076 1.00 0.00 N ATOM 510 CA ASP A 36 14.403 -3.869 -3.325 1.00 0.00 C ATOM 511 C ASP A 36 14.361 -2.609 -2.466 1.00 0.00 C ATOM 512 O ASP A 36 15.388 -2.151 -1.964 1.00 0.00 O ATOM 513 CB ASP A 36 15.597 -3.811 -4.278 1.00 0.00 C ATOM 514 CG ASP A 36 15.339 -2.918 -5.476 1.00 0.00 C ATOM 515 OD1 ASP A 36 15.073 -1.715 -5.273 1.00 0.00 O ATOM 516 OD2 ASP A 36 15.402 -3.423 -6.617 1.00 0.00 O ATOM 0 H ASP A 36 13.184 -3.626 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 36 14.514 -4.732 -2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.471 -3.447 -3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.832 -4.818 -4.623 1.00 0.00 H new ATOM 521 N THR A 37 13.165 -2.052 -2.300 1.00 0.00 N ATOM 522 CA THR A 37 12.989 -0.844 -1.503 1.00 0.00 C ATOM 523 C THR A 37 11.967 -1.061 -0.393 1.00 0.00 C ATOM 524 O THR A 37 10.900 -1.632 -0.622 1.00 0.00 O ATOM 525 CB THR A 37 12.538 0.343 -2.375 1.00 0.00 C ATOM 526 OG1 THR A 37 13.573 0.693 -3.301 1.00 0.00 O ATOM 527 CG2 THR A 37 12.193 1.548 -1.513 1.00 0.00 C ATOM 0 H THR A 37 12.304 -2.418 -2.707 1.00 0.00 H new ATOM 0 HA THR A 37 13.958 -0.614 -1.061 1.00 0.00 H new ATOM 0 HB THR A 37 11.646 0.042 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.277 1.447 -3.852 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.877 2.373 -2.151 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.384 1.287 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.070 1.848 -0.939 1.00 0.00 H new ATOM 535 N ILE A 38 12.299 -0.603 0.809 1.00 0.00 N ATOM 536 CA ILE A 38 11.409 -0.746 1.954 1.00 0.00 C ATOM 537 C ILE A 38 9.992 -0.302 1.607 1.00 0.00 C ATOM 538 O ILE A 38 9.790 0.540 0.730 1.00 0.00 O ATOM 539 CB ILE A 38 11.909 0.069 3.161 1.00 0.00 C ATOM 540 CG1 ILE A 38 12.127 1.530 2.763 1.00 0.00 C ATOM 541 CG2 ILE A 38 13.193 -0.534 3.712 1.00 0.00 C ATOM 542 CD1 ILE A 38 12.779 2.361 3.847 1.00 0.00 C ATOM 0 H ILE A 38 13.179 -0.129 1.015 1.00 0.00 H new ATOM 0 HA ILE A 38 11.402 -1.803 2.218 1.00 0.00 H new ATOM 0 HB ILE A 38 11.150 0.035 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.747 1.565 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.166 1.975 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.534 0.053 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.006 -1.560 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.960 -0.528 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.903 3.385 3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.150 2.356 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.755 1.941 4.090 1.00 0.00 H new ATOM 554 N LEU A 39 9.013 -0.872 2.301 1.00 0.00 N ATOM 555 CA LEU A 39 7.613 -0.534 2.068 1.00 0.00 C ATOM 556 C LEU A 39 7.326 0.908 2.473 1.00 0.00 C ATOM 557 O LEU A 39 6.430 1.552 1.927 1.00 0.00 O ATOM 558 CB LEU A 39 6.702 -1.485 2.846 1.00 0.00 C ATOM 559 CG LEU A 39 6.570 -2.900 2.281 1.00 0.00 C ATOM 560 CD1 LEU A 39 6.133 -3.870 3.368 1.00 0.00 C ATOM 561 CD2 LEU A 39 5.587 -2.921 1.120 1.00 0.00 C ATOM 0 H LEU A 39 9.163 -1.570 3.029 1.00 0.00 H new ATOM 0 HA LEU A 39 7.412 -0.639 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.073 -1.557 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.707 -1.042 2.898 1.00 0.00 H new ATOM 0 HG LEU A 39 7.546 -3.215 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.044 -4.872 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.873 -3.877 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.168 -3.558 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.506 -3.936 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.609 -2.585 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.941 -2.257 0.331 1.00 0.00 H new ATOM 573 N LYS A 40 8.095 1.411 3.433 1.00 0.00 N ATOM 574 CA LYS A 40 7.927 2.779 3.910 1.00 0.00 C ATOM 575 C LYS A 40 7.692 3.736 2.747 1.00 0.00 C ATOM 576 O LYS A 40 6.644 4.377 2.659 1.00 0.00 O ATOM 577 CB LYS A 40 9.159 3.218 4.705 1.00 0.00 C ATOM 578 CG LYS A 40 8.853 4.241 5.785 1.00 0.00 C ATOM 579 CD LYS A 40 8.769 5.647 5.214 1.00 0.00 C ATOM 580 CE LYS A 40 10.148 6.269 5.059 1.00 0.00 C ATOM 581 NZ LYS A 40 10.119 7.471 4.180 1.00 0.00 N ATOM 0 H LYS A 40 8.841 0.892 3.896 1.00 0.00 H new ATOM 0 HA LYS A 40 7.053 2.806 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.615 2.342 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.894 3.636 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.911 3.988 6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.627 4.204 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.271 5.618 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.159 6.270 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.534 6.546 6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.834 5.531 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.078 7.866 4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.775 7.203 3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.484 8.185 4.590 1.00 0.00 H new ATOM 595 N TYR A 41 8.672 3.828 1.855 1.00 0.00 N ATOM 596 CA TYR A 41 8.571 4.708 0.696 1.00 0.00 C ATOM 597 C TYR A 41 7.142 4.747 0.165 1.00 0.00 C ATOM 598 O TYR A 41 6.512 5.805 0.122 1.00 0.00 O ATOM 599 CB TYR A 41 9.525 4.245 -0.406 1.00 0.00 C ATOM 600 CG TYR A 41 10.908 4.849 -0.304 1.00 0.00 C ATOM 601 CD1 TYR A 41 11.832 4.366 0.615 1.00 0.00 C ATOM 602 CD2 TYR A 41 11.290 5.901 -1.127 1.00 0.00 C ATOM 603 CE1 TYR A 41 13.095 4.915 0.712 1.00 0.00 C ATOM 604 CE2 TYR A 41 12.552 6.455 -1.037 1.00 0.00 C ATOM 605 CZ TYR A 41 13.451 5.959 -0.116 1.00 0.00 C ATOM 606 OH TYR A 41 14.710 6.508 -0.023 1.00 0.00 O ATOM 0 H TYR A 41 9.545 3.304 1.912 1.00 0.00 H new ATOM 0 HA TYR A 41 8.850 5.714 1.009 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.609 3.159 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.097 4.500 -1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 41 11.557 3.548 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.589 6.292 -1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 41 13.801 4.529 1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.833 7.272 -1.684 1.00 0.00 H new ATOM 0 HH TYR A 41 14.800 7.232 -0.677 1.00 0.00 H new ATOM 616 N LEU A 42 6.636 3.587 -0.239 1.00 0.00 N ATOM 617 CA LEU A 42 5.280 3.487 -0.768 1.00 0.00 C ATOM 618 C LEU A 42 4.265 4.039 0.228 1.00 0.00 C ATOM 619 O LEU A 42 3.316 4.725 -0.152 1.00 0.00 O ATOM 620 CB LEU A 42 4.947 2.031 -1.099 1.00 0.00 C ATOM 621 CG LEU A 42 3.640 1.797 -1.856 1.00 0.00 C ATOM 622 CD1 LEU A 42 3.793 2.183 -3.319 1.00 0.00 C ATOM 623 CD2 LEU A 42 3.202 0.345 -1.729 1.00 0.00 C ATOM 0 H LEU A 42 7.144 2.703 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 42 5.227 4.082 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.765 1.617 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.910 1.467 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 42 2.869 2.428 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.852 2.009 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.059 3.238 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.578 1.579 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.270 0.197 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.972 -0.305 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.050 0.101 -0.677 1.00 0.00 H new ATOM 635 N LYS A 43 4.472 3.736 1.505 1.00 0.00 N ATOM 636 CA LYS A 43 3.578 4.204 2.557 1.00 0.00 C ATOM 637 C LYS A 43 3.533 5.728 2.596 1.00 0.00 C ATOM 638 O LYS A 43 2.460 6.325 2.681 1.00 0.00 O ATOM 639 CB LYS A 43 4.028 3.662 3.916 1.00 0.00 C ATOM 640 CG LYS A 43 2.989 3.828 5.012 1.00 0.00 C ATOM 641 CD LYS A 43 3.380 3.071 6.270 1.00 0.00 C ATOM 642 CE LYS A 43 2.960 1.611 6.194 1.00 0.00 C ATOM 643 NZ LYS A 43 3.598 0.794 7.263 1.00 0.00 N ATOM 0 H LYS A 43 5.252 3.168 1.836 1.00 0.00 H new ATOM 0 HA LYS A 43 2.576 3.834 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.270 2.604 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.944 4.171 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.871 4.886 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.023 3.470 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.459 3.134 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.915 3.540 7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.876 1.540 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.229 1.206 5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.773 -0.167 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.500 1.230 7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.967 0.748 8.088 1.00 0.00 H new ATOM 657 N ASP A 44 4.704 6.351 2.530 1.00 0.00 N ATOM 658 CA ASP A 44 4.798 7.806 2.555 1.00 0.00 C ATOM 659 C ASP A 44 4.020 8.421 1.396 1.00 0.00 C ATOM 660 O ASP A 44 3.154 9.273 1.598 1.00 0.00 O ATOM 661 CB ASP A 44 6.262 8.245 2.492 1.00 0.00 C ATOM 662 CG ASP A 44 6.416 9.753 2.520 1.00 0.00 C ATOM 663 OD1 ASP A 44 5.593 10.421 3.179 1.00 0.00 O ATOM 664 OD2 ASP A 44 7.360 10.265 1.882 1.00 0.00 O ATOM 0 H ASP A 44 5.601 5.871 2.459 1.00 0.00 H new ATOM 0 HA ASP A 44 4.361 8.157 3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.805 7.812 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.717 7.853 1.582 1.00 0.00 H new ATOM 669 N HIS A 45 4.334 7.984 0.181 1.00 0.00 N ATOM 670 CA HIS A 45 3.665 8.492 -1.011 1.00 0.00 C ATOM 671 C HIS A 45 2.178 8.711 -0.747 1.00 0.00 C ATOM 672 O HIS A 45 1.563 9.615 -1.315 1.00 0.00 O ATOM 673 CB HIS A 45 3.849 7.521 -2.178 1.00 0.00 C ATOM 674 CG HIS A 45 3.515 8.116 -3.511 1.00 0.00 C ATOM 675 ND1 HIS A 45 4.424 8.209 -4.544 1.00 0.00 N ATOM 676 CD2 HIS A 45 2.361 8.648 -3.979 1.00 0.00 C ATOM 677 CE1 HIS A 45 3.845 8.775 -5.588 1.00 0.00 C ATOM 678 NE2 HIS A 45 2.593 9.051 -5.271 1.00 0.00 N ATOM 0 H HIS A 45 5.048 7.279 -0.004 1.00 0.00 H new ATOM 0 HA HIS A 45 4.116 9.450 -1.270 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.883 7.175 -2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 45 3.222 6.645 -2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.431 8.738 -3.437 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.315 8.978 -6.539 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.909 9.492 -5.886 1.00 0.00 H new ATOM 687 N PHE A 46 1.606 7.880 0.117 1.00 0.00 N ATOM 688 CA PHE A 46 0.191 7.982 0.455 1.00 0.00 C ATOM 689 C PHE A 46 -0.020 8.933 1.629 1.00 0.00 C ATOM 690 O PHE A 46 -0.931 9.761 1.615 1.00 0.00 O ATOM 691 CB PHE A 46 -0.375 6.602 0.793 1.00 0.00 C ATOM 692 CG PHE A 46 -0.756 5.797 -0.417 1.00 0.00 C ATOM 693 CD1 PHE A 46 0.217 5.297 -1.267 1.00 0.00 C ATOM 694 CD2 PHE A 46 -2.087 5.541 -0.703 1.00 0.00 C ATOM 695 CE1 PHE A 46 -0.130 4.555 -2.381 1.00 0.00 C ATOM 696 CE2 PHE A 46 -2.440 4.800 -1.815 1.00 0.00 C ATOM 697 CZ PHE A 46 -1.461 4.308 -2.656 1.00 0.00 C ATOM 0 H PHE A 46 2.101 7.128 0.596 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.336 8.380 -0.412 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.364 6.047 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.252 6.724 1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.259 5.489 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.857 5.925 -0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.638 4.169 -3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.481 4.606 -2.026 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.736 3.731 -3.527 1.00 0.00 H new ATOM 707 N SER A 47 0.829 8.807 2.644 1.00 0.00 N ATOM 708 CA SER A 47 0.733 9.652 3.829 1.00 0.00 C ATOM 709 C SER A 47 0.607 11.122 3.440 1.00 0.00 C ATOM 710 O SER A 47 -0.252 11.840 3.953 1.00 0.00 O ATOM 711 CB SER A 47 1.958 9.453 4.724 1.00 0.00 C ATOM 712 OG SER A 47 3.002 10.342 4.364 1.00 0.00 O ATOM 0 H SER A 47 1.590 8.129 2.670 1.00 0.00 H new ATOM 0 HA SER A 47 -0.162 9.362 4.380 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.681 9.615 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.308 8.424 4.643 1.00 0.00 H new ATOM 0 HG SER A 47 3.334 10.112 3.471 1.00 0.00 H new ATOM 718 N HIS A 48 1.469 11.563 2.530 1.00 0.00 N ATOM 719 CA HIS A 48 1.455 12.947 2.071 1.00 0.00 C ATOM 720 C HIS A 48 0.183 13.244 1.282 1.00 0.00 C ATOM 721 O HIS A 48 -0.552 14.180 1.599 1.00 0.00 O ATOM 722 CB HIS A 48 2.684 13.232 1.206 1.00 0.00 C ATOM 723 CG HIS A 48 2.474 12.942 -0.248 1.00 0.00 C ATOM 724 ND1 HIS A 48 2.902 11.779 -0.853 1.00 0.00 N ATOM 725 CD2 HIS A 48 1.875 13.670 -1.219 1.00 0.00 C ATOM 726 CE1 HIS A 48 2.578 11.805 -2.133 1.00 0.00 C ATOM 727 NE2 HIS A 48 1.953 12.942 -2.381 1.00 0.00 N ATOM 0 H HIS A 48 2.186 10.982 2.096 1.00 0.00 H new ATOM 0 HA HIS A 48 1.478 13.595 2.947 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.965 14.279 1.322 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.520 12.635 1.570 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.420 14.643 -1.102 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.788 11.029 -2.854 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.588 13.232 -3.288 1.00 0.00 H new ATOM 736 N LEU A 49 -0.069 12.444 0.252 1.00 0.00 N ATOM 737 CA LEU A 49 -1.252 12.621 -0.583 1.00 0.00 C ATOM 738 C LEU A 49 -2.512 12.716 0.270 1.00 0.00 C ATOM 739 O LEU A 49 -3.211 13.731 0.255 1.00 0.00 O ATOM 740 CB LEU A 49 -1.379 11.463 -1.574 1.00 0.00 C ATOM 741 CG LEU A 49 -2.403 11.648 -2.695 1.00 0.00 C ATOM 742 CD1 LEU A 49 -3.785 11.911 -2.117 1.00 0.00 C ATOM 743 CD2 LEU A 49 -1.985 12.782 -3.618 1.00 0.00 C ATOM 0 H LEU A 49 0.530 11.666 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.139 13.554 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.403 11.289 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.638 10.562 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.444 10.728 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.500 12.040 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.087 11.066 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.759 12.815 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.725 12.899 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.914 13.708 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.015 12.553 -4.060 1.00 0.00 H new ATOM 755 N LEU A 50 -2.796 11.655 1.017 1.00 0.00 N ATOM 756 CA LEU A 50 -3.972 11.618 1.880 1.00 0.00 C ATOM 757 C LEU A 50 -3.893 12.700 2.952 1.00 0.00 C ATOM 758 O LEU A 50 -4.911 13.114 3.507 1.00 0.00 O ATOM 759 CB LEU A 50 -4.105 10.243 2.536 1.00 0.00 C ATOM 760 CG LEU A 50 -4.245 9.056 1.583 1.00 0.00 C ATOM 761 CD1 LEU A 50 -3.744 7.780 2.241 1.00 0.00 C ATOM 762 CD2 LEU A 50 -5.692 8.896 1.140 1.00 0.00 C ATOM 0 H LEU A 50 -2.228 10.808 1.043 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.851 11.805 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.231 10.077 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.974 10.259 3.194 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.634 9.249 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.852 6.946 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.694 7.896 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.327 7.581 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.773 8.046 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.323 8.726 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.018 9.801 0.628 1.00 0.00 H new ATOM 774 N GLY A 51 -2.678 13.157 3.237 1.00 0.00 N ATOM 775 CA GLY A 51 -2.489 14.189 4.241 1.00 0.00 C ATOM 776 C GLY A 51 -2.255 13.616 5.624 1.00 0.00 C ATOM 777 O GLY A 51 -1.787 14.316 6.522 1.00 0.00 O ATOM 0 H GLY A 51 -1.821 12.831 2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.640 14.813 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.366 14.836 4.263 1.00 0.00 H new ATOM 781 N ILE A 52 -2.583 12.340 5.798 1.00 0.00 N ATOM 782 CA ILE A 52 -2.407 11.674 7.083 1.00 0.00 C ATOM 783 C ILE A 52 -1.027 11.034 7.185 1.00 0.00 C ATOM 784 O ILE A 52 -0.436 10.612 6.190 1.00 0.00 O ATOM 785 CB ILE A 52 -3.480 10.593 7.309 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.245 9.406 6.372 1.00 0.00 C ATOM 787 CG2 ILE A 52 -4.870 11.175 7.098 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.305 8.333 6.480 1.00 0.00 C ATOM 0 H ILE A 52 -2.972 11.747 5.065 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.508 12.440 7.852 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.408 10.239 8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.208 9.767 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.272 8.967 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.618 10.399 7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.034 11.991 7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.955 11.553 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.075 7.523 5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.327 7.945 7.498 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.278 8.757 6.232 1.00 0.00 H new ATOM 800 N PRO A 53 -0.500 10.956 8.416 1.00 0.00 N ATOM 801 CA PRO A 53 0.816 10.366 8.678 1.00 0.00 C ATOM 802 C PRO A 53 0.825 8.855 8.473 1.00 0.00 C ATOM 803 O PRO A 53 -0.229 8.218 8.427 1.00 0.00 O ATOM 804 CB PRO A 53 1.071 10.707 10.148 1.00 0.00 C ATOM 805 CG PRO A 53 -0.286 10.872 10.740 1.00 0.00 C ATOM 806 CD PRO A 53 -1.149 11.439 9.647 1.00 0.00 C ATOM 0 HA PRO A 53 1.577 10.750 7.999 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.627 9.914 10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.659 11.619 10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.678 9.917 11.090 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.258 11.540 11.601 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.178 11.087 9.724 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.181 12.528 9.684 1.00 0.00 H new ATOM 814 N HIS A 54 2.020 8.286 8.350 1.00 0.00 N ATOM 815 CA HIS A 54 2.165 6.848 8.150 1.00 0.00 C ATOM 816 C HIS A 54 1.982 6.096 9.465 1.00 0.00 C ATOM 817 O HIS A 54 1.725 4.892 9.472 1.00 0.00 O ATOM 818 CB HIS A 54 3.537 6.531 7.555 1.00 0.00 C ATOM 819 CG HIS A 54 4.647 7.350 8.136 1.00 0.00 C ATOM 820 ND1 HIS A 54 5.186 7.111 9.383 1.00 0.00 N ATOM 821 CD2 HIS A 54 5.321 8.412 7.634 1.00 0.00 C ATOM 822 CE1 HIS A 54 6.142 7.990 9.623 1.00 0.00 C ATOM 823 NE2 HIS A 54 6.244 8.791 8.577 1.00 0.00 N ATOM 0 H HIS A 54 2.901 8.798 8.385 1.00 0.00 H new ATOM 0 HA HIS A 54 1.391 6.522 7.455 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.756 5.475 7.711 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.503 6.693 6.478 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.162 8.875 6.671 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.739 8.045 10.521 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.902 9.565 8.485 1.00 0.00 H new ATOM 832 N SER A 55 2.116 6.814 10.576 1.00 0.00 N ATOM 833 CA SER A 55 1.970 6.214 11.897 1.00 0.00 C ATOM 834 C SER A 55 0.646 5.464 12.009 1.00 0.00 C ATOM 835 O SER A 55 0.615 4.282 12.352 1.00 0.00 O ATOM 836 CB SER A 55 2.054 7.289 12.981 1.00 0.00 C ATOM 837 OG SER A 55 2.021 6.712 14.275 1.00 0.00 O ATOM 0 H SER A 55 2.325 7.812 10.587 1.00 0.00 H new ATOM 0 HA SER A 55 2.784 5.503 12.038 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.973 7.862 12.858 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.225 7.988 12.870 1.00 0.00 H new ATOM 0 HG SER A 55 2.078 7.420 14.950 1.00 0.00 H new ATOM 843 N VAL A 56 -0.448 6.161 11.718 1.00 0.00 N ATOM 844 CA VAL A 56 -1.776 5.563 11.785 1.00 0.00 C ATOM 845 C VAL A 56 -2.029 4.652 10.590 1.00 0.00 C ATOM 846 O VAL A 56 -2.568 3.553 10.735 1.00 0.00 O ATOM 847 CB VAL A 56 -2.875 6.641 11.837 1.00 0.00 C ATOM 848 CG1 VAL A 56 -2.758 7.463 13.111 1.00 0.00 C ATOM 849 CG2 VAL A 56 -2.802 7.535 10.608 1.00 0.00 C ATOM 0 H VAL A 56 -0.441 7.141 11.434 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.812 4.974 12.701 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.846 6.145 11.841 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.543 8.219 13.129 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.864 6.809 13.977 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.784 7.951 13.141 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.585 8.291 10.661 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.828 8.024 10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.940 6.932 9.711 1.00 0.00 H new ATOM 859 N LEU A 57 -1.637 5.113 9.407 1.00 0.00 N ATOM 860 CA LEU A 57 -1.821 4.339 8.184 1.00 0.00 C ATOM 861 C LEU A 57 -0.979 3.068 8.213 1.00 0.00 C ATOM 862 O LEU A 57 0.197 3.100 8.574 1.00 0.00 O ATOM 863 CB LEU A 57 -1.451 5.182 6.963 1.00 0.00 C ATOM 864 CG LEU A 57 -0.939 4.412 5.746 1.00 0.00 C ATOM 865 CD1 LEU A 57 -2.034 3.524 5.176 1.00 0.00 C ATOM 866 CD2 LEU A 57 -0.423 5.373 4.684 1.00 0.00 C ATOM 0 H LEU A 57 -1.190 6.019 9.269 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.871 4.056 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.328 5.755 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.688 5.901 7.261 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.113 3.776 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.651 2.984 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.356 2.811 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.881 4.140 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.063 4.807 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.230 6.035 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.393 5.966 5.096 1.00 0.00 H new ATOM 878 N GLN A 58 -1.589 1.951 7.829 1.00 0.00 N ATOM 879 CA GLN A 58 -0.894 0.670 7.810 1.00 0.00 C ATOM 880 C GLN A 58 -1.210 -0.102 6.532 1.00 0.00 C ATOM 881 O GLN A 58 -2.098 0.280 5.770 1.00 0.00 O ATOM 882 CB GLN A 58 -1.283 -0.164 9.032 1.00 0.00 C ATOM 883 CG GLN A 58 -0.863 0.460 10.353 1.00 0.00 C ATOM 884 CD GLN A 58 0.629 0.355 10.599 1.00 0.00 C ATOM 885 OE1 GLN A 58 1.437 0.845 9.809 1.00 0.00 O ATOM 886 NE2 GLN A 58 1.004 -0.286 11.700 1.00 0.00 N ATOM 0 H GLN A 58 -2.562 1.908 7.527 1.00 0.00 H new ATOM 0 HA GLN A 58 0.178 0.867 7.839 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.364 -0.307 9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.831 -1.152 8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.156 1.510 10.364 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.397 -0.029 11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.301 -0.677 12.327 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.995 -0.388 11.918 1.00 0.00 H new ATOM 895 N ILE A 59 -0.477 -1.186 6.306 1.00 0.00 N ATOM 896 CA ILE A 59 -0.680 -2.011 5.121 1.00 0.00 C ATOM 897 C ILE A 59 -0.821 -3.483 5.493 1.00 0.00 C ATOM 898 O ILE A 59 -0.089 -3.992 6.342 1.00 0.00 O ATOM 899 CB ILE A 59 0.481 -1.855 4.121 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.653 -0.386 3.730 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.237 -2.712 2.888 1.00 0.00 C ATOM 902 CD1 ILE A 59 1.811 -0.142 2.788 1.00 0.00 C ATOM 0 H ILE A 59 0.263 -1.514 6.927 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.602 -1.667 4.652 1.00 0.00 H new ATOM 0 HB ILE A 59 1.400 -2.194 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.266 -0.033 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.799 0.207 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.066 -2.591 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.160 -3.759 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.690 -2.401 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.872 0.921 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.739 -0.463 3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.658 -0.707 1.869 1.00 0.00 H new ATOM 914 N ARG A 60 -1.766 -4.162 4.851 1.00 0.00 N ATOM 915 CA ARG A 60 -2.003 -5.576 5.114 1.00 0.00 C ATOM 916 C ARG A 60 -1.763 -6.410 3.859 1.00 0.00 C ATOM 917 O ARG A 60 -2.331 -6.137 2.802 1.00 0.00 O ATOM 918 CB ARG A 60 -3.432 -5.791 5.616 1.00 0.00 C ATOM 919 CG ARG A 60 -3.818 -7.255 5.748 1.00 0.00 C ATOM 920 CD ARG A 60 -5.281 -7.413 6.132 1.00 0.00 C ATOM 921 NE ARG A 60 -5.513 -7.108 7.541 1.00 0.00 N ATOM 922 CZ ARG A 60 -5.149 -7.909 8.536 1.00 0.00 C ATOM 923 NH1 ARG A 60 -4.539 -9.057 8.278 1.00 0.00 N ATOM 924 NH2 ARG A 60 -5.396 -7.561 9.793 1.00 0.00 N ATOM 0 H ARG A 60 -2.380 -3.756 4.145 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.302 -5.899 5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.544 -5.306 6.586 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.126 -5.301 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.631 -7.768 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.190 -7.732 6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.891 -6.755 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.602 -8.434 5.924 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.980 -6.232 7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.348 -9.327 7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.261 -9.670 9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.865 -6.678 9.995 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.116 -8.176 10.557 1.00 0.00 H new ATOM 938 N TYR A 61 -0.917 -7.427 3.984 1.00 0.00 N ATOM 939 CA TYR A 61 -0.599 -8.299 2.860 1.00 0.00 C ATOM 940 C TYR A 61 -0.666 -9.766 3.273 1.00 0.00 C ATOM 941 O TYR A 61 -0.169 -10.149 4.332 1.00 0.00 O ATOM 942 CB TYR A 61 0.793 -7.975 2.314 1.00 0.00 C ATOM 943 CG TYR A 61 1.320 -9.011 1.347 1.00 0.00 C ATOM 944 CD1 TYR A 61 0.854 -9.070 0.039 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.285 -9.930 1.741 1.00 0.00 C ATOM 946 CE1 TYR A 61 1.332 -10.015 -0.847 1.00 0.00 C ATOM 947 CE2 TYR A 61 2.770 -10.877 0.860 1.00 0.00 C ATOM 948 CZ TYR A 61 2.291 -10.916 -0.432 1.00 0.00 C ATOM 949 OH TYR A 61 2.771 -11.858 -1.313 1.00 0.00 O ATOM 0 H TYR A 61 -0.439 -7.667 4.853 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.338 -8.126 2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.762 -7.007 1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.489 -7.881 3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.105 -8.365 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.662 -9.903 2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.957 -10.049 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.521 -11.583 1.182 1.00 0.00 H new ATOM 0 HH TYR A 61 3.441 -12.414 -0.864 1.00 0.00 H new ATOM 959 N SER A 62 -1.286 -10.584 2.427 1.00 0.00 N ATOM 960 CA SER A 62 -1.423 -12.009 2.704 1.00 0.00 C ATOM 961 C SER A 62 -2.086 -12.239 4.059 1.00 0.00 C ATOM 962 O SER A 62 -1.848 -13.251 4.715 1.00 0.00 O ATOM 963 CB SER A 62 -0.053 -12.690 2.673 1.00 0.00 C ATOM 964 OG SER A 62 -0.185 -14.098 2.577 1.00 0.00 O ATOM 0 H SER A 62 -1.701 -10.284 1.545 1.00 0.00 H new ATOM 0 HA SER A 62 -2.056 -12.444 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.523 -12.317 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.504 -12.434 3.574 1.00 0.00 H new ATOM 0 HG SER A 62 -0.794 -14.418 3.275 1.00 0.00 H new ATOM 970 N GLY A 63 -2.921 -11.289 4.470 1.00 0.00 N ATOM 971 CA GLY A 63 -3.606 -11.405 5.744 1.00 0.00 C ATOM 972 C GLY A 63 -2.708 -11.071 6.919 1.00 0.00 C ATOM 973 O GLY A 63 -3.043 -11.358 8.068 1.00 0.00 O ATOM 0 H GLY A 63 -3.135 -10.442 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.470 -10.740 5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.985 -12.421 5.858 1.00 0.00 H new ATOM 977 N LYS A 64 -1.561 -10.464 6.631 1.00 0.00 N ATOM 978 CA LYS A 64 -0.610 -10.091 7.671 1.00 0.00 C ATOM 979 C LYS A 64 -0.399 -8.581 7.699 1.00 0.00 C ATOM 980 O LYS A 64 -0.869 -7.863 6.816 1.00 0.00 O ATOM 981 CB LYS A 64 0.727 -10.800 7.446 1.00 0.00 C ATOM 982 CG LYS A 64 1.703 -10.003 6.598 1.00 0.00 C ATOM 983 CD LYS A 64 2.619 -10.913 5.797 1.00 0.00 C ATOM 984 CE LYS A 64 3.256 -11.977 6.679 1.00 0.00 C ATOM 985 NZ LYS A 64 4.112 -12.908 5.893 1.00 0.00 N ATOM 0 H LYS A 64 -1.268 -10.220 5.685 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.021 -10.400 8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.185 -11.009 8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.543 -11.761 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.150 -9.353 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.302 -9.357 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.051 -11.392 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.399 -10.319 5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.856 -11.497 7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.475 -12.543 7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.446 -13.676 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.560 -13.309 5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.929 -12.390 5.512 1.00 0.00 H new ATOM 999 N ILE A 65 0.311 -8.106 8.716 1.00 0.00 N ATOM 1000 CA ILE A 65 0.586 -6.681 8.857 1.00 0.00 C ATOM 1001 C ILE A 65 2.059 -6.378 8.601 1.00 0.00 C ATOM 1002 O ILE A 65 2.911 -6.618 9.458 1.00 0.00 O ATOM 1003 CB ILE A 65 0.204 -6.169 10.258 1.00 0.00 C ATOM 1004 CG1 ILE A 65 -1.215 -6.616 10.618 1.00 0.00 C ATOM 1005 CG2 ILE A 65 0.319 -4.653 10.317 1.00 0.00 C ATOM 1006 CD1 ILE A 65 -2.291 -5.895 9.837 1.00 0.00 C ATOM 0 H ILE A 65 0.707 -8.687 9.455 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.023 -6.167 8.114 1.00 0.00 H new ATOM 0 HB ILE A 65 0.895 -6.595 10.986 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.306 -7.688 10.442 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.379 -6.453 11.683 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.046 -4.306 11.313 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.345 -4.357 10.098 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.351 -4.208 9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.271 -6.262 10.143 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.227 -4.825 10.032 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.152 -6.078 8.772 1.00 0.00 H new ATOM 1018 N LEU A 66 2.352 -5.848 7.419 1.00 0.00 N ATOM 1019 CA LEU A 66 3.722 -5.510 7.050 1.00 0.00 C ATOM 1020 C LEU A 66 4.197 -4.269 7.800 1.00 0.00 C ATOM 1021 O LEU A 66 3.403 -3.570 8.430 1.00 0.00 O ATOM 1022 CB LEU A 66 3.823 -5.277 5.542 1.00 0.00 C ATOM 1023 CG LEU A 66 3.117 -6.305 4.656 1.00 0.00 C ATOM 1024 CD1 LEU A 66 3.312 -5.966 3.186 1.00 0.00 C ATOM 1025 CD2 LEU A 66 3.627 -7.707 4.954 1.00 0.00 C ATOM 0 H LEU A 66 1.659 -5.643 6.699 1.00 0.00 H new ATOM 0 HA LEU A 66 4.363 -6.347 7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.414 -4.292 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.878 -5.254 5.268 1.00 0.00 H new ATOM 0 HG LEU A 66 2.050 -6.274 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.803 -6.708 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.897 -4.979 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.376 -5.968 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.113 -8.425 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.699 -7.753 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.434 -7.950 5.999 1.00 0.00 H new ATOM 1037 N LYS A 67 5.496 -4.001 7.726 1.00 0.00 N ATOM 1038 CA LYS A 67 6.078 -2.843 8.395 1.00 0.00 C ATOM 1039 C LYS A 67 6.878 -1.993 7.413 1.00 0.00 C ATOM 1040 O LYS A 67 7.042 -2.361 6.250 1.00 0.00 O ATOM 1041 CB LYS A 67 6.977 -3.292 9.548 1.00 0.00 C ATOM 1042 CG LYS A 67 6.258 -4.136 10.587 1.00 0.00 C ATOM 1043 CD LYS A 67 5.601 -3.271 11.650 1.00 0.00 C ATOM 1044 CE LYS A 67 5.457 -4.019 12.966 1.00 0.00 C ATOM 1045 NZ LYS A 67 6.780 -4.308 13.587 1.00 0.00 N ATOM 0 H LYS A 67 6.166 -4.570 7.209 1.00 0.00 H new ATOM 0 HA LYS A 67 5.264 -2.238 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.814 -3.862 9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.397 -2.412 10.035 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.502 -4.751 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.967 -4.817 11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.194 -2.370 11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.619 -2.950 11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.853 -3.429 13.655 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.924 -4.954 12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.662 -4.433 14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.174 -5.178 13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.428 -3.515 13.407 1.00 0.00 H new ATOM 1059 N ASN A 68 7.376 -0.857 7.890 1.00 0.00 N ATOM 1060 CA ASN A 68 8.161 0.044 7.054 1.00 0.00 C ATOM 1061 C ASN A 68 9.544 -0.538 6.776 1.00 0.00 C ATOM 1062 O ASN A 68 9.925 -0.734 5.623 1.00 0.00 O ATOM 1063 CB ASN A 68 8.297 1.411 7.728 1.00 0.00 C ATOM 1064 CG ASN A 68 8.553 1.297 9.218 1.00 0.00 C ATOM 1065 OD1 ASN A 68 9.701 1.238 9.659 1.00 0.00 O ATOM 1066 ND2 ASN A 68 7.482 1.265 10.002 1.00 0.00 N ATOM 0 H ASN A 68 7.250 -0.539 8.851 1.00 0.00 H new ATOM 0 HA ASN A 68 7.639 0.165 6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.114 1.963 7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.387 1.988 7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.592 1.189 11.013 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.549 1.317 9.593 1.00 0.00 H new ATOM 1073 N ASN A 69 10.289 -0.812 7.841 1.00 0.00 N ATOM 1074 CA ASN A 69 11.630 -1.372 7.712 1.00 0.00 C ATOM 1075 C ASN A 69 11.612 -2.634 6.855 1.00 0.00 C ATOM 1076 O ASN A 69 12.560 -2.910 6.121 1.00 0.00 O ATOM 1077 CB ASN A 69 12.208 -1.688 9.093 1.00 0.00 C ATOM 1078 CG ASN A 69 12.235 -0.474 10.000 1.00 0.00 C ATOM 1079 OD1 ASN A 69 11.520 -0.417 11.002 1.00 0.00 O ATOM 1080 ND2 ASN A 69 13.061 0.506 9.653 1.00 0.00 N ATOM 0 H ASN A 69 9.988 -0.656 8.803 1.00 0.00 H new ATOM 0 HA ASN A 69 12.261 -0.630 7.222 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.615 -2.474 9.561 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.220 -2.076 8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.122 1.348 10.225 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.635 0.416 8.815 1.00 0.00 H new ATOM 1087 N GLU A 70 10.526 -3.395 6.953 1.00 0.00 N ATOM 1088 CA GLU A 70 10.386 -4.627 6.187 1.00 0.00 C ATOM 1089 C GLU A 70 10.564 -4.363 4.695 1.00 0.00 C ATOM 1090 O GLU A 70 10.695 -3.216 4.266 1.00 0.00 O ATOM 1091 CB GLU A 70 9.017 -5.261 6.444 1.00 0.00 C ATOM 1092 CG GLU A 70 8.980 -6.151 7.675 1.00 0.00 C ATOM 1093 CD GLU A 70 9.426 -7.571 7.382 1.00 0.00 C ATOM 1094 OE1 GLU A 70 9.296 -8.004 6.218 1.00 0.00 O ATOM 1095 OE2 GLU A 70 9.906 -8.247 8.315 1.00 0.00 O ATOM 0 H GLU A 70 9.731 -3.180 7.555 1.00 0.00 H new ATOM 0 HA GLU A 70 11.165 -5.317 6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.275 -4.470 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.729 -5.849 5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.621 -5.725 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.967 -6.168 8.076 1.00 0.00 H new ATOM 1102 N THR A 71 10.569 -5.434 3.906 1.00 0.00 N ATOM 1103 CA THR A 71 10.733 -5.320 2.463 1.00 0.00 C ATOM 1104 C THR A 71 10.025 -6.458 1.737 1.00 0.00 C ATOM 1105 O THR A 71 9.885 -7.558 2.273 1.00 0.00 O ATOM 1106 CB THR A 71 12.221 -5.319 2.064 1.00 0.00 C ATOM 1107 OG1 THR A 71 12.999 -4.674 3.078 1.00 0.00 O ATOM 1108 CG2 THR A 71 12.425 -4.611 0.734 1.00 0.00 C ATOM 0 H THR A 71 10.461 -6.390 4.244 1.00 0.00 H new ATOM 0 HA THR A 71 10.285 -4.371 2.169 1.00 0.00 H new ATOM 0 HB THR A 71 12.547 -6.354 1.959 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.944 -4.679 2.818 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.483 -4.623 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.855 -5.122 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.083 -3.579 0.815 1.00 0.00 H new ATOM 1116 N LEU A 72 9.580 -6.188 0.515 1.00 0.00 N ATOM 1117 CA LEU A 72 8.886 -7.191 -0.286 1.00 0.00 C ATOM 1118 C LEU A 72 9.780 -8.400 -0.538 1.00 0.00 C ATOM 1119 O LEU A 72 9.356 -9.544 -0.372 1.00 0.00 O ATOM 1120 CB LEU A 72 8.438 -6.587 -1.618 1.00 0.00 C ATOM 1121 CG LEU A 72 7.269 -5.604 -1.550 1.00 0.00 C ATOM 1122 CD1 LEU A 72 6.071 -6.245 -0.866 1.00 0.00 C ATOM 1123 CD2 LEU A 72 7.682 -4.333 -0.823 1.00 0.00 C ATOM 0 H LEU A 72 9.687 -5.283 0.057 1.00 0.00 H new ATOM 0 HA LEU A 72 8.008 -7.521 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.290 -6.077 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.164 -7.401 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 72 6.982 -5.340 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.249 -5.530 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.760 -7.126 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.345 -6.539 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.837 -3.645 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.996 -4.580 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.509 -3.862 -1.354 1.00 0.00 H new ATOM 1135 N VAL A 73 11.021 -8.140 -0.937 1.00 0.00 N ATOM 1136 CA VAL A 73 11.977 -9.207 -1.208 1.00 0.00 C ATOM 1137 C VAL A 73 12.266 -10.019 0.049 1.00 0.00 C ATOM 1138 O VAL A 73 12.763 -11.142 -0.027 1.00 0.00 O ATOM 1139 CB VAL A 73 13.302 -8.647 -1.760 1.00 0.00 C ATOM 1140 CG1 VAL A 73 13.103 -8.085 -3.159 1.00 0.00 C ATOM 1141 CG2 VAL A 73 13.861 -7.585 -0.825 1.00 0.00 C ATOM 0 H VAL A 73 11.388 -7.199 -1.080 1.00 0.00 H new ATOM 0 HA VAL A 73 11.524 -9.854 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 73 14.023 -9.462 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.050 -7.694 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.750 -8.875 -3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.366 -7.282 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.797 -7.200 -1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.144 -6.770 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 73 14.043 -8.023 0.156 1.00 0.00 H new ATOM 1151 N GLN A 74 11.950 -9.443 1.205 1.00 0.00 N ATOM 1152 CA GLN A 74 12.176 -10.114 2.479 1.00 0.00 C ATOM 1153 C GLN A 74 11.023 -11.056 2.810 1.00 0.00 C ATOM 1154 O GLN A 74 11.162 -11.959 3.636 1.00 0.00 O ATOM 1155 CB GLN A 74 12.347 -9.086 3.598 1.00 0.00 C ATOM 1156 CG GLN A 74 13.774 -8.584 3.751 1.00 0.00 C ATOM 1157 CD GLN A 74 14.685 -9.607 4.400 1.00 0.00 C ATOM 1158 OE1 GLN A 74 14.328 -10.778 4.533 1.00 0.00 O ATOM 1159 NE2 GLN A 74 15.871 -9.170 4.807 1.00 0.00 N ATOM 0 H GLN A 74 11.537 -8.514 1.285 1.00 0.00 H new ATOM 0 HA GLN A 74 13.089 -10.703 2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.691 -8.237 3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 74 12.024 -9.529 4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.170 -8.321 2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.773 -7.673 4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.126 -8.191 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 74 16.527 -9.813 5.250 1.00 0.00 H new ATOM 1168 N HIS A 75 9.883 -10.840 2.160 1.00 0.00 N ATOM 1169 CA HIS A 75 8.705 -11.670 2.386 1.00 0.00 C ATOM 1170 C HIS A 75 8.592 -12.754 1.318 1.00 0.00 C ATOM 1171 O HIS A 75 7.832 -13.710 1.468 1.00 0.00 O ATOM 1172 CB HIS A 75 7.442 -10.809 2.392 1.00 0.00 C ATOM 1173 CG HIS A 75 7.131 -10.210 3.729 1.00 0.00 C ATOM 1174 ND1 HIS A 75 6.624 -10.941 4.782 1.00 0.00 N ATOM 1175 CD2 HIS A 75 7.261 -8.941 4.181 1.00 0.00 C ATOM 1176 CE1 HIS A 75 6.453 -10.147 5.824 1.00 0.00 C ATOM 1177 NE2 HIS A 75 6.833 -8.928 5.486 1.00 0.00 N ATOM 0 H HIS A 75 9.750 -10.098 1.473 1.00 0.00 H new ATOM 0 HA HIS A 75 8.811 -12.152 3.358 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.555 -10.008 1.662 1.00 0.00 H new ATOM 0 HB3 HIS A 75 6.596 -11.417 2.070 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.632 -8.096 3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.068 -10.444 6.788 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.812 -8.110 6.095 1.00 0.00 H new ATOM 1186 N GLY A 76 9.352 -12.597 0.239 1.00 0.00 N ATOM 1187 CA GLY A 76 9.322 -13.568 -0.839 1.00 0.00 C ATOM 1188 C GLY A 76 8.640 -13.033 -2.083 1.00 0.00 C ATOM 1189 O GLY A 76 7.703 -13.643 -2.598 1.00 0.00 O ATOM 0 H GLY A 76 9.989 -11.814 0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.342 -13.863 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.803 -14.465 -0.501 1.00 0.00 H new ATOM 1193 N VAL A 77 9.111 -11.888 -2.567 1.00 0.00 N ATOM 1194 CA VAL A 77 8.541 -11.270 -3.758 1.00 0.00 C ATOM 1195 C VAL A 77 9.612 -11.020 -4.814 1.00 0.00 C ATOM 1196 O VAL A 77 10.678 -10.482 -4.517 1.00 0.00 O ATOM 1197 CB VAL A 77 7.847 -9.937 -3.421 1.00 0.00 C ATOM 1198 CG1 VAL A 77 7.386 -9.239 -4.692 1.00 0.00 C ATOM 1199 CG2 VAL A 77 6.677 -10.170 -2.477 1.00 0.00 C ATOM 0 H VAL A 77 9.886 -11.370 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 77 7.801 -11.967 -4.153 1.00 0.00 H new ATOM 0 HB VAL A 77 8.566 -9.289 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.898 -8.299 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.247 -9.038 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.682 -9.879 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.198 -9.218 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.955 -10.835 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.039 -10.624 -1.554 1.00 0.00 H new ATOM 1209 N LYS A 78 9.320 -11.415 -6.049 1.00 0.00 N ATOM 1210 CA LYS A 78 10.257 -11.233 -7.152 1.00 0.00 C ATOM 1211 C LYS A 78 9.882 -10.014 -7.988 1.00 0.00 C ATOM 1212 O LYS A 78 8.732 -9.573 -8.007 1.00 0.00 O ATOM 1213 CB LYS A 78 10.285 -12.482 -8.036 1.00 0.00 C ATOM 1214 CG LYS A 78 11.275 -13.535 -7.569 1.00 0.00 C ATOM 1215 CD LYS A 78 11.314 -14.722 -8.517 1.00 0.00 C ATOM 1216 CE LYS A 78 12.287 -15.788 -8.035 1.00 0.00 C ATOM 1217 NZ LYS A 78 13.666 -15.552 -8.546 1.00 0.00 N ATOM 0 H LYS A 78 8.442 -11.863 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 78 11.249 -11.072 -6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.287 -12.920 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.533 -12.189 -9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.269 -13.094 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.002 -13.875 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.316 -15.152 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.605 -14.385 -9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.301 -15.801 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.942 -16.769 -8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.299 -16.299 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.658 -15.565 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.006 -14.627 -8.214 1.00 0.00 H new ATOM 1231 N PRO A 79 10.873 -9.454 -8.698 1.00 0.00 N ATOM 1232 CA PRO A 79 10.671 -8.280 -9.551 1.00 0.00 C ATOM 1233 C PRO A 79 9.834 -8.597 -10.785 1.00 0.00 C ATOM 1234 O PRO A 79 9.909 -9.698 -11.330 1.00 0.00 O ATOM 1235 CB PRO A 79 12.094 -7.886 -9.956 1.00 0.00 C ATOM 1236 CG PRO A 79 12.879 -9.148 -9.855 1.00 0.00 C ATOM 1237 CD PRO A 79 12.268 -9.926 -8.722 1.00 0.00 C ATOM 0 HA PRO A 79 10.126 -7.490 -9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 79 12.120 -7.483 -10.969 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.495 -7.116 -9.296 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.832 -9.713 -10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.931 -8.939 -9.662 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.326 -11.001 -8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.776 -9.727 -7.778 1.00 0.00 H new ATOM 1245 N GLN A 80 9.039 -7.625 -11.221 1.00 0.00 N ATOM 1246 CA GLN A 80 8.188 -7.803 -12.392 1.00 0.00 C ATOM 1247 C GLN A 80 7.100 -8.837 -12.123 1.00 0.00 C ATOM 1248 O GLN A 80 6.762 -9.636 -12.994 1.00 0.00 O ATOM 1249 CB GLN A 80 9.027 -8.230 -13.598 1.00 0.00 C ATOM 1250 CG GLN A 80 10.224 -7.330 -13.856 1.00 0.00 C ATOM 1251 CD GLN A 80 11.181 -7.910 -14.878 1.00 0.00 C ATOM 1252 OE1 GLN A 80 11.168 -9.112 -15.146 1.00 0.00 O ATOM 1253 NE2 GLN A 80 12.019 -7.058 -15.456 1.00 0.00 N ATOM 0 H GLN A 80 8.966 -6.707 -10.782 1.00 0.00 H new ATOM 0 HA GLN A 80 7.710 -6.848 -12.610 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.377 -9.251 -13.443 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.394 -8.241 -14.485 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.874 -6.357 -14.202 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.756 -7.163 -12.920 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.996 -6.070 -15.204 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.686 -7.392 -16.152 1.00 0.00 H new ATOM 1262 N GLU A 81 6.557 -8.814 -10.910 1.00 0.00 N ATOM 1263 CA GLU A 81 5.507 -9.752 -10.526 1.00 0.00 C ATOM 1264 C GLU A 81 4.236 -9.010 -10.124 1.00 0.00 C ATOM 1265 O GLU A 81 4.233 -7.785 -9.997 1.00 0.00 O ATOM 1266 CB GLU A 81 5.981 -10.637 -9.372 1.00 0.00 C ATOM 1267 CG GLU A 81 5.685 -10.058 -7.999 1.00 0.00 C ATOM 1268 CD GLU A 81 6.011 -11.023 -6.876 1.00 0.00 C ATOM 1269 OE1 GLU A 81 6.863 -11.912 -7.084 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.413 -10.889 -5.787 1.00 0.00 O ATOM 0 H GLU A 81 6.826 -8.158 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 81 5.283 -10.381 -11.388 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.505 -11.614 -9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.055 -10.797 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.260 -9.142 -7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.631 -9.785 -7.944 1.00 0.00 H new ATOM 1277 N ILE A 82 3.158 -9.761 -9.925 1.00 0.00 N ATOM 1278 CA ILE A 82 1.881 -9.175 -9.536 1.00 0.00 C ATOM 1279 C ILE A 82 1.492 -9.593 -8.122 1.00 0.00 C ATOM 1280 O ILE A 82 1.567 -10.770 -7.768 1.00 0.00 O ATOM 1281 CB ILE A 82 0.757 -9.582 -10.507 1.00 0.00 C ATOM 1282 CG1 ILE A 82 1.102 -9.148 -11.933 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -0.567 -8.974 -10.069 1.00 0.00 C ATOM 1284 CD1 ILE A 82 0.244 -9.806 -12.990 1.00 0.00 C ATOM 0 H ILE A 82 3.143 -10.776 -10.027 1.00 0.00 H new ATOM 0 HA ILE A 82 2.006 -8.093 -9.570 1.00 0.00 H new ATOM 0 HB ILE A 82 0.660 -10.668 -10.491 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.994 -8.066 -12.011 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.149 -9.379 -12.131 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.352 -9.271 -10.765 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.817 -9.328 -9.069 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.483 -7.887 -10.059 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.545 -9.451 -13.976 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.370 -10.888 -12.940 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.802 -9.554 -12.818 1.00 0.00 H new ATOM 1296 N VAL A 83 1.074 -8.621 -7.318 1.00 0.00 N ATOM 1297 CA VAL A 83 0.669 -8.888 -5.943 1.00 0.00 C ATOM 1298 C VAL A 83 -0.598 -8.120 -5.584 1.00 0.00 C ATOM 1299 O VAL A 83 -1.126 -7.361 -6.396 1.00 0.00 O ATOM 1300 CB VAL A 83 1.783 -8.512 -4.947 1.00 0.00 C ATOM 1301 CG1 VAL A 83 3.077 -9.231 -5.297 1.00 0.00 C ATOM 1302 CG2 VAL A 83 1.991 -7.005 -4.924 1.00 0.00 C ATOM 0 H VAL A 83 1.007 -7.642 -7.595 1.00 0.00 H new ATOM 0 HA VAL A 83 0.474 -9.958 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 83 1.477 -8.829 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.852 -8.953 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.917 -10.308 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.391 -8.947 -6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.781 -6.758 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.275 -6.662 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.066 -6.515 -4.622 1.00 0.00 H new ATOM 1312 N GLN A 84 -1.079 -8.322 -4.361 1.00 0.00 N ATOM 1313 CA GLN A 84 -2.285 -7.648 -3.895 1.00 0.00 C ATOM 1314 C GLN A 84 -2.146 -7.232 -2.434 1.00 0.00 C ATOM 1315 O GLN A 84 -1.997 -8.075 -1.550 1.00 0.00 O ATOM 1316 CB GLN A 84 -3.502 -8.559 -4.065 1.00 0.00 C ATOM 1317 CG GLN A 84 -4.830 -7.828 -3.953 1.00 0.00 C ATOM 1318 CD GLN A 84 -6.018 -8.771 -3.962 1.00 0.00 C ATOM 1319 OE1 GLN A 84 -5.959 -9.856 -4.541 1.00 0.00 O ATOM 1320 NE2 GLN A 84 -7.105 -8.360 -3.320 1.00 0.00 N ATOM 0 H GLN A 84 -0.652 -8.946 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.425 -6.751 -4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.447 -9.047 -5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.465 -9.345 -3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.842 -7.243 -3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.924 -7.124 -4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.109 -7.453 -2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.936 -8.951 -3.293 1.00 0.00 H new ATOM 1329 N VAL A 85 -2.196 -5.927 -2.188 1.00 0.00 N ATOM 1330 CA VAL A 85 -2.076 -5.399 -0.835 1.00 0.00 C ATOM 1331 C VAL A 85 -3.289 -4.552 -0.466 1.00 0.00 C ATOM 1332 O VAL A 85 -4.125 -4.245 -1.315 1.00 0.00 O ATOM 1333 CB VAL A 85 -0.802 -4.548 -0.675 1.00 0.00 C ATOM 1334 CG1 VAL A 85 0.435 -5.377 -0.985 1.00 0.00 C ATOM 1335 CG2 VAL A 85 -0.868 -3.318 -1.567 1.00 0.00 C ATOM 0 H VAL A 85 -2.319 -5.216 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.018 -6.257 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.736 -4.214 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.326 -4.760 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.487 -6.223 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.380 -5.743 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.040 -2.728 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.958 -3.628 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.733 -2.715 -1.292 1.00 0.00 H new ATOM 1345 N GLU A 86 -3.378 -4.177 0.806 1.00 0.00 N ATOM 1346 CA GLU A 86 -4.489 -3.365 1.287 1.00 0.00 C ATOM 1347 C GLU A 86 -3.987 -2.213 2.153 1.00 0.00 C ATOM 1348 O GLU A 86 -2.997 -2.350 2.872 1.00 0.00 O ATOM 1349 CB GLU A 86 -5.472 -4.226 2.084 1.00 0.00 C ATOM 1350 CG GLU A 86 -6.305 -5.156 1.219 1.00 0.00 C ATOM 1351 CD GLU A 86 -7.020 -6.221 2.028 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -6.494 -6.612 3.091 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -8.105 -6.664 1.597 1.00 0.00 O ATOM 0 H GLU A 86 -2.694 -4.423 1.522 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.002 -2.948 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.916 -4.819 2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.139 -3.574 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.040 -4.571 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.660 -5.636 0.483 1.00 0.00 H new ATOM 1360 N ILE A 87 -4.677 -1.080 2.079 1.00 0.00 N ATOM 1361 CA ILE A 87 -4.302 0.095 2.856 1.00 0.00 C ATOM 1362 C ILE A 87 -5.463 0.577 3.719 1.00 0.00 C ATOM 1363 O ILE A 87 -6.598 0.675 3.252 1.00 0.00 O ATOM 1364 CB ILE A 87 -3.840 1.248 1.946 1.00 0.00 C ATOM 1365 CG1 ILE A 87 -2.450 0.953 1.378 1.00 0.00 C ATOM 1366 CG2 ILE A 87 -3.837 2.561 2.714 1.00 0.00 C ATOM 1367 CD1 ILE A 87 -1.938 2.028 0.446 1.00 0.00 C ATOM 0 H ILE A 87 -5.499 -0.951 1.489 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.474 -0.203 3.499 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.540 1.338 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.747 0.833 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.479 0.003 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.508 3.366 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.844 2.774 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.157 2.485 3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.948 1.753 0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.619 2.132 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.877 2.975 0.982 1.00 0.00 H new ATOM 1379 N PHE A 88 -5.171 0.879 4.979 1.00 0.00 N ATOM 1380 CA PHE A 88 -6.191 1.352 5.908 1.00 0.00 C ATOM 1381 C PHE A 88 -5.553 2.047 7.108 1.00 0.00 C ATOM 1382 O PHE A 88 -4.403 1.778 7.456 1.00 0.00 O ATOM 1383 CB PHE A 88 -7.060 0.186 6.382 1.00 0.00 C ATOM 1384 CG PHE A 88 -6.309 -0.829 7.196 1.00 0.00 C ATOM 1385 CD1 PHE A 88 -5.882 -0.529 8.480 1.00 0.00 C ATOM 1386 CD2 PHE A 88 -6.031 -2.084 6.679 1.00 0.00 C ATOM 1387 CE1 PHE A 88 -5.190 -1.460 9.231 1.00 0.00 C ATOM 1388 CE2 PHE A 88 -5.340 -3.020 7.425 1.00 0.00 C ATOM 1389 CZ PHE A 88 -4.920 -2.708 8.703 1.00 0.00 C ATOM 0 H PHE A 88 -4.236 0.805 5.381 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.818 2.073 5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.886 0.577 6.976 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.497 -0.307 5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.093 0.444 8.899 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.358 -2.334 5.681 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.861 -1.212 10.229 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.129 -3.994 7.009 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.381 -3.438 9.289 1.00 0.00 H new ATOM 1399 N SER A 89 -6.309 2.942 7.736 1.00 0.00 N ATOM 1400 CA SER A 89 -5.817 3.679 8.894 1.00 0.00 C ATOM 1401 C SER A 89 -6.409 3.121 10.185 1.00 0.00 C ATOM 1402 O SER A 89 -7.616 2.894 10.281 1.00 0.00 O ATOM 1403 CB SER A 89 -6.159 5.164 8.763 1.00 0.00 C ATOM 1404 OG SER A 89 -5.419 5.942 9.688 1.00 0.00 O ATOM 0 H SER A 89 -7.264 3.174 7.463 1.00 0.00 H new ATOM 0 HA SER A 89 -4.734 3.565 8.933 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.947 5.501 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.226 5.311 8.931 1.00 0.00 H new ATOM 0 HG SER A 89 -5.815 6.836 9.755 1.00 0.00 H new ATOM 1410 N THR A 90 -5.551 2.903 11.176 1.00 0.00 N ATOM 1411 CA THR A 90 -5.987 2.371 12.461 1.00 0.00 C ATOM 1412 C THR A 90 -6.907 3.352 13.179 1.00 0.00 C ATOM 1413 O THR A 90 -7.870 2.951 13.831 1.00 0.00 O ATOM 1414 CB THR A 90 -4.788 2.048 13.372 1.00 0.00 C ATOM 1415 OG1 THR A 90 -4.105 3.255 13.729 1.00 0.00 O ATOM 1416 CG2 THR A 90 -3.822 1.099 12.679 1.00 0.00 C ATOM 0 H THR A 90 -4.550 3.087 11.113 1.00 0.00 H new ATOM 0 HA THR A 90 -6.533 1.451 12.253 1.00 0.00 H new ATOM 0 HB THR A 90 -5.165 1.564 14.273 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.345 3.041 14.309 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.983 0.885 13.342 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.337 0.170 12.435 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.452 1.561 11.763 1.00 0.00 H new ATOM 1424 N ASN A 91 -6.603 4.640 13.054 1.00 0.00 N ATOM 1425 CA ASN A 91 -7.403 5.679 13.692 1.00 0.00 C ATOM 1426 C ASN A 91 -8.190 6.474 12.654 1.00 0.00 C ATOM 1427 O ASN A 91 -7.812 7.579 12.265 1.00 0.00 O ATOM 1428 CB ASN A 91 -6.506 6.620 14.498 1.00 0.00 C ATOM 1429 CG ASN A 91 -6.314 6.152 15.928 1.00 0.00 C ATOM 1430 OD1 ASN A 91 -5.569 5.208 16.190 1.00 0.00 O ATOM 1431 ND2 ASN A 91 -6.989 6.812 16.862 1.00 0.00 N ATOM 0 H ASN A 91 -5.809 4.989 12.517 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.110 5.195 14.366 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.534 6.698 14.010 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.942 7.619 14.501 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.901 6.542 17.842 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.596 7.589 16.600 1.00 0.00 H new ATOM 1438 N PRO A 92 -9.311 5.900 12.194 1.00 0.00 N ATOM 1439 CA PRO A 92 -10.175 6.537 11.196 1.00 0.00 C ATOM 1440 C PRO A 92 -10.910 7.750 11.755 1.00 0.00 C ATOM 1441 O PRO A 92 -11.363 8.614 11.004 1.00 0.00 O ATOM 1442 CB PRO A 92 -11.169 5.432 10.830 1.00 0.00 C ATOM 1443 CG PRO A 92 -11.206 4.544 12.025 1.00 0.00 C ATOM 1444 CD PRO A 92 -9.822 4.584 12.613 1.00 0.00 C ATOM 0 HA PRO A 92 -9.606 6.916 10.347 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.155 5.843 10.612 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.847 4.888 9.942 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.947 4.890 12.746 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.483 3.527 11.747 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.844 4.488 13.699 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.201 3.772 12.234 1.00 0.00 H new ATOM 1452 N ASP A 93 -11.023 7.809 13.078 1.00 0.00 N ATOM 1453 CA ASP A 93 -11.702 8.919 13.738 1.00 0.00 C ATOM 1454 C ASP A 93 -10.814 10.158 13.768 1.00 0.00 C ATOM 1455 O ASP A 93 -11.300 11.286 13.669 1.00 0.00 O ATOM 1456 CB ASP A 93 -12.099 8.526 15.162 1.00 0.00 C ATOM 1457 CG ASP A 93 -13.445 7.831 15.217 1.00 0.00 C ATOM 1458 OD1 ASP A 93 -14.345 8.218 14.442 1.00 0.00 O ATOM 1459 OD2 ASP A 93 -13.598 6.899 16.034 1.00 0.00 O ATOM 0 H ASP A 93 -10.654 7.102 13.714 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.602 9.153 13.169 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.337 7.869 15.580 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.128 9.418 15.787 1.00 0.00 H new ATOM 1464 N LEU A 94 -9.510 9.943 13.906 1.00 0.00 N ATOM 1465 CA LEU A 94 -8.553 11.043 13.950 1.00 0.00 C ATOM 1466 C LEU A 94 -8.014 11.352 12.557 1.00 0.00 C ATOM 1467 O LEU A 94 -7.938 12.512 12.153 1.00 0.00 O ATOM 1468 CB LEU A 94 -7.398 10.703 14.893 1.00 0.00 C ATOM 1469 CG LEU A 94 -7.622 11.021 16.371 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -6.497 10.446 17.218 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -7.737 12.524 16.582 1.00 0.00 C ATOM 0 H LEU A 94 -9.091 9.017 13.989 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.070 11.927 14.323 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.181 9.639 14.800 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.511 11.240 14.557 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.558 10.558 16.684 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.674 10.683 18.267 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.462 9.364 17.091 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.547 10.879 16.904 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.896 12.732 17.640 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.819 13.009 16.251 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.579 12.909 16.006 1.00 0.00 H new ATOM 1483 N TYR A 95 -7.643 10.306 11.827 1.00 0.00 N ATOM 1484 CA TYR A 95 -7.110 10.465 10.479 1.00 0.00 C ATOM 1485 C TYR A 95 -7.827 9.543 9.498 1.00 0.00 C ATOM 1486 O TYR A 95 -7.321 8.487 9.115 1.00 0.00 O ATOM 1487 CB TYR A 95 -5.608 10.176 10.464 1.00 0.00 C ATOM 1488 CG TYR A 95 -4.811 11.066 11.390 1.00 0.00 C ATOM 1489 CD1 TYR A 95 -4.679 10.758 12.739 1.00 0.00 C ATOM 1490 CD2 TYR A 95 -4.188 12.214 10.917 1.00 0.00 C ATOM 1491 CE1 TYR A 95 -3.953 11.569 13.589 1.00 0.00 C ATOM 1492 CE2 TYR A 95 -3.458 13.030 11.760 1.00 0.00 C ATOM 1493 CZ TYR A 95 -3.344 12.703 13.095 1.00 0.00 C ATOM 1494 OH TYR A 95 -2.618 13.513 13.939 1.00 0.00 O ATOM 0 H TYR A 95 -7.702 9.339 12.146 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.277 11.496 10.169 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.444 9.135 10.744 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.234 10.296 9.447 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.152 9.869 13.129 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.276 12.473 9.872 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.863 11.316 14.635 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.979 13.919 11.376 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.253 14.269 13.433 1.00 0.00 H new ATOM 1504 N PRO A 96 -9.034 9.950 9.079 1.00 0.00 N ATOM 1505 CA PRO A 96 -9.847 9.176 8.136 1.00 0.00 C ATOM 1506 C PRO A 96 -9.255 9.167 6.731 1.00 0.00 C ATOM 1507 O PRO A 96 -8.753 10.184 6.252 1.00 0.00 O ATOM 1508 CB PRO A 96 -11.192 9.907 8.144 1.00 0.00 C ATOM 1509 CG PRO A 96 -10.862 11.303 8.547 1.00 0.00 C ATOM 1510 CD PRO A 96 -9.699 11.197 9.493 1.00 0.00 C ATOM 0 HA PRO A 96 -9.914 8.127 8.423 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.663 9.879 7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.889 9.447 8.845 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.605 11.909 7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.714 11.782 9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.032 12.055 9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.028 11.151 10.531 1.00 0.00 H new ATOM 1518 N VAL A 97 -9.317 8.013 6.075 1.00 0.00 N ATOM 1519 CA VAL A 97 -8.787 7.872 4.723 1.00 0.00 C ATOM 1520 C VAL A 97 -9.796 8.351 3.686 1.00 0.00 C ATOM 1521 O VAL A 97 -10.981 8.024 3.760 1.00 0.00 O ATOM 1522 CB VAL A 97 -8.408 6.411 4.418 1.00 0.00 C ATOM 1523 CG1 VAL A 97 -7.542 6.334 3.170 1.00 0.00 C ATOM 1524 CG2 VAL A 97 -7.697 5.786 5.609 1.00 0.00 C ATOM 0 H VAL A 97 -9.729 7.162 6.457 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.891 8.490 4.668 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.322 5.847 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.284 5.294 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.090 6.742 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.630 6.911 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.436 4.754 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.790 6.349 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.355 5.807 6.478 1.00 0.00 H new ATOM 1534 N ARG A 98 -9.318 9.127 2.718 1.00 0.00 N ATOM 1535 CA ARG A 98 -10.179 9.652 1.665 1.00 0.00 C ATOM 1536 C ARG A 98 -9.715 9.169 0.293 1.00 0.00 C ATOM 1537 O ARG A 98 -8.602 8.666 0.145 1.00 0.00 O ATOM 1538 CB ARG A 98 -10.192 11.181 1.702 1.00 0.00 C ATOM 1539 CG ARG A 98 -10.897 11.755 2.919 1.00 0.00 C ATOM 1540 CD ARG A 98 -10.994 13.271 2.845 1.00 0.00 C ATOM 1541 NE ARG A 98 -11.920 13.810 3.836 1.00 0.00 N ATOM 1542 CZ ARG A 98 -12.500 15.000 3.730 1.00 0.00 C ATOM 1543 NH1 ARG A 98 -12.251 15.771 2.680 1.00 0.00 N ATOM 1544 NH2 ARG A 98 -13.332 15.421 4.674 1.00 0.00 N ATOM 0 H ARG A 98 -8.340 9.406 2.641 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.190 9.283 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.165 11.545 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.679 11.554 0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.897 11.329 2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.358 11.468 3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.006 13.705 2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.320 13.565 1.847 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.134 13.241 4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.613 15.450 1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.698 16.685 2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.527 14.830 5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.777 16.335 4.591 1.00 0.00 H new ATOM 1558 N ARG A 99 -10.578 9.326 -0.706 1.00 0.00 N ATOM 1559 CA ARG A 99 -10.257 8.905 -2.065 1.00 0.00 C ATOM 1560 C ARG A 99 -9.071 9.693 -2.613 1.00 0.00 C ATOM 1561 O ARG A 99 -9.029 10.920 -2.513 1.00 0.00 O ATOM 1562 CB ARG A 99 -11.471 9.088 -2.978 1.00 0.00 C ATOM 1563 CG ARG A 99 -11.554 8.061 -4.094 1.00 0.00 C ATOM 1564 CD ARG A 99 -10.566 8.368 -5.209 1.00 0.00 C ATOM 1565 NE ARG A 99 -11.119 9.299 -6.189 1.00 0.00 N ATOM 1566 CZ ARG A 99 -10.614 9.471 -7.406 1.00 0.00 C ATOM 1567 NH1 ARG A 99 -9.550 8.779 -7.789 1.00 0.00 N ATOM 1568 NH2 ARG A 99 -11.174 10.337 -8.241 1.00 0.00 N ATOM 0 H ARG A 99 -11.504 9.741 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.987 7.849 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.379 9.033 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.439 10.086 -3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.353 7.068 -3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.566 8.042 -4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.656 8.790 -4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.284 7.441 -5.708 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.938 9.847 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.117 8.113 -7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.164 8.913 -8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.992 10.871 -7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.786 10.469 -9.175 1.00 0.00 H new