USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 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 1 MET CE :methyl 177:sc= 0 (180deg=-0.0151) USER MOD Set 1.2: A 83 HIS : no HE2:sc= -0.0617 X(o=-0.062,f=-0.43) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0702 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.491 K(o=-0.49,f=-1.2) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 1.57 K(o=1.6,f=-0.52) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.712 K(o=0.71,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.26) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1.09 (180deg=0.993) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.21) USER MOD Single : A 36 ASN : amide:sc= 1.03 K(o=1,f=-0.66) USER MOD Single : A 51 ASN : amide:sc= 1.07 K(o=1.1,f=-8!) USER MOD Single : A 54 GLN : amide:sc= 0.316 X(o=0.32,f=0) USER MOD Single : A 55 SER OG : rot 12:sc= 1.13 USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.13) USER MOD Single : A 62 ASN : amide:sc= 0.876 K(o=0.88,f=0) USER MOD Single : A 64 SER OG : rot 150:sc= 1 USER MOD Single : A 67 SER OG : rot -44:sc= 1.2 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 1.21 K(o=1.2,f=-3.8!) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -175:sc= 0.582 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.938 -11.697 0.161 1.00 0.00 N ATOM 2 CA MET A 1 -5.441 -13.038 0.563 1.00 0.00 C ATOM 3 C MET A 1 -5.897 -13.386 1.991 1.00 0.00 C ATOM 4 O MET A 1 -6.750 -12.696 2.553 1.00 0.00 O ATOM 5 CB MET A 1 -3.922 -13.197 0.319 1.00 0.00 C ATOM 6 CG MET A 1 -2.993 -12.373 1.219 1.00 0.00 C ATOM 7 SD MET A 1 -1.249 -12.886 1.164 1.00 0.00 S ATOM 8 CE MET A 1 -0.840 -12.624 -0.585 1.00 0.00 C ATOM 0 H1 MET A 1 -6.486 -11.779 -0.719 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.546 -11.312 0.912 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.131 -11.059 0.008 1.00 0.00 H new ATOM 0 HA MET A 1 -5.898 -13.784 -0.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.666 -14.250 0.438 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.714 -12.933 -0.718 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.061 -11.325 0.928 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.348 -12.442 2.247 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.214 -12.848 -0.750 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.451 -13.281 -1.204 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.037 -11.586 -0.853 1.00 0.00 H new ATOM 20 N LEU A 2 -5.375 -14.472 2.573 1.00 0.00 N ATOM 21 CA LEU A 2 -5.857 -15.071 3.819 1.00 0.00 C ATOM 22 C LEU A 2 -4.671 -15.300 4.763 1.00 0.00 C ATOM 23 O LEU A 2 -3.517 -15.290 4.325 1.00 0.00 O ATOM 24 CB LEU A 2 -6.571 -16.388 3.434 1.00 0.00 C ATOM 25 CG LEU A 2 -7.199 -17.212 4.575 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.324 -16.449 5.275 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.766 -18.518 4.016 1.00 0.00 C ATOM 0 H LEU A 2 -4.580 -14.973 2.175 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.557 -14.425 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.358 -16.148 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.852 -17.023 2.916 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.413 -17.414 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.740 -17.065 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.929 -15.525 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.106 -16.212 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.209 -19.098 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.529 -18.294 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.965 -19.094 3.553 1.00 0.00 H new ATOM 39 N GLN A 3 -4.947 -15.526 6.050 1.00 0.00 N ATOM 40 CA GLN A 3 -3.954 -15.884 7.048 1.00 0.00 C ATOM 41 C GLN A 3 -4.446 -17.124 7.797 1.00 0.00 C ATOM 42 O GLN A 3 -5.637 -17.232 8.100 1.00 0.00 O ATOM 43 CB GLN A 3 -3.740 -14.691 7.994 1.00 0.00 C ATOM 44 CG GLN A 3 -2.532 -14.848 8.927 1.00 0.00 C ATOM 45 CD GLN A 3 -2.344 -13.647 9.857 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.173 -13.361 10.717 1.00 0.00 O ATOM 47 NE2 GLN A 3 -1.224 -12.944 9.745 1.00 0.00 N ATOM 0 H GLN A 3 -5.892 -15.462 6.429 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.995 -16.119 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.613 -13.786 7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.637 -14.552 8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.656 -15.750 9.526 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.631 -14.984 8.329 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.539 -13.186 9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.048 -12.161 10.375 1.00 0.00 H new ATOM 56 N TYR A 4 -3.526 -18.027 8.130 1.00 0.00 N ATOM 57 CA TYR A 4 -3.750 -19.206 8.960 1.00 0.00 C ATOM 58 C TYR A 4 -2.822 -19.126 10.171 1.00 0.00 C ATOM 59 O TYR A 4 -1.738 -18.545 10.098 1.00 0.00 O ATOM 60 CB TYR A 4 -3.447 -20.507 8.180 1.00 0.00 C ATOM 61 CG TYR A 4 -4.552 -21.166 7.362 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.824 -20.584 7.184 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.293 -22.433 6.798 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.823 -21.260 6.458 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.285 -23.114 6.068 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.559 -22.527 5.897 1.00 0.00 C ATOM 67 OH TYR A 4 -7.537 -23.170 5.198 1.00 0.00 O ATOM 0 H TYR A 4 -2.559 -17.952 7.813 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.796 -19.227 9.266 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.620 -20.296 7.502 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.090 -21.244 8.900 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.033 -19.613 7.608 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.321 -22.886 6.928 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.795 -20.807 6.330 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.073 -24.083 5.640 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.197 -24.031 4.876 1.00 0.00 H new ATOM 77 N ARG A 5 -3.211 -19.804 11.248 1.00 0.00 N ATOM 78 CA ARG A 5 -2.325 -20.241 12.319 1.00 0.00 C ATOM 79 C ARG A 5 -2.459 -21.757 12.335 1.00 0.00 C ATOM 80 O ARG A 5 -3.562 -22.270 12.151 1.00 0.00 O ATOM 81 CB ARG A 5 -2.737 -19.600 13.657 1.00 0.00 C ATOM 82 CG ARG A 5 -1.754 -19.910 14.804 1.00 0.00 C ATOM 83 CD ARG A 5 -2.297 -19.470 16.170 1.00 0.00 C ATOM 84 NE ARG A 5 -2.491 -18.010 16.258 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.714 -17.127 16.902 1.00 0.00 C ATOM 86 NH1 ARG A 5 -0.627 -17.505 17.569 1.00 0.00 N ATOM 87 NH2 ARG A 5 -2.040 -15.838 16.874 1.00 0.00 N ATOM 0 H ARG A 5 -4.183 -20.072 11.402 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.289 -19.940 12.164 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.808 -18.520 13.529 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.730 -19.954 13.932 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.549 -20.980 14.825 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.806 -19.407 14.613 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.246 -19.971 16.358 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.607 -19.789 16.951 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.306 -17.631 15.776 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.365 -18.490 17.600 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.056 -16.810 18.049 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.871 -15.533 16.367 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.459 -15.154 17.359 1.00 0.00 H new ATOM 101 N ILE A 6 -1.363 -22.478 12.530 1.00 0.00 N ATOM 102 CA ILE A 6 -1.333 -23.935 12.517 1.00 0.00 C ATOM 103 C ILE A 6 -0.582 -24.333 13.785 1.00 0.00 C ATOM 104 O ILE A 6 0.380 -23.660 14.164 1.00 0.00 O ATOM 105 CB ILE A 6 -0.661 -24.469 11.223 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.245 -23.852 9.924 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.739 -26.007 11.154 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.368 -24.068 8.683 1.00 0.00 C ATOM 0 H ILE A 6 -0.450 -22.058 12.705 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.332 -24.371 12.510 1.00 0.00 H new ATOM 0 HB ILE A 6 0.382 -24.158 11.282 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.230 -24.282 9.740 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.388 -22.782 10.074 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.261 -26.355 10.238 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.228 -26.436 12.016 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.783 -26.319 11.159 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.844 -23.608 7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.609 -23.613 8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.246 -25.136 8.505 1.00 0.00 H new ATOM 120 N ILE A 7 -1.000 -25.419 14.426 1.00 0.00 N ATOM 121 CA ILE A 7 -0.375 -25.986 15.614 1.00 0.00 C ATOM 122 C ILE A 7 -0.116 -27.453 15.272 1.00 0.00 C ATOM 123 O ILE A 7 -0.941 -28.075 14.599 1.00 0.00 O ATOM 124 CB ILE A 7 -1.302 -25.824 16.847 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.761 -24.370 17.112 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.647 -26.406 18.115 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.646 -23.386 17.485 1.00 0.00 C ATOM 0 H ILE A 7 -1.816 -25.949 14.119 1.00 0.00 H new ATOM 0 HA ILE A 7 0.554 -25.481 15.879 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.200 -26.390 16.601 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.267 -23.999 16.221 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.497 -24.380 17.916 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.320 -26.278 18.963 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.447 -27.467 17.967 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.290 -25.885 18.313 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.074 -22.397 17.650 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.152 -23.724 18.396 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.082 -23.336 16.675 1.00 0.00 H new ATOM 139 N VAL A 8 1.013 -28.004 15.714 1.00 0.00 N ATOM 140 CA VAL A 8 1.427 -29.369 15.404 1.00 0.00 C ATOM 141 C VAL A 8 1.989 -29.988 16.683 1.00 0.00 C ATOM 142 O VAL A 8 2.630 -29.289 17.473 1.00 0.00 O ATOM 143 CB VAL A 8 2.477 -29.393 14.263 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.403 -30.728 13.510 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.357 -28.254 13.234 1.00 0.00 C ATOM 0 H VAL A 8 1.676 -27.505 16.307 1.00 0.00 H new ATOM 0 HA VAL A 8 0.572 -29.947 15.052 1.00 0.00 H new ATOM 0 HB VAL A 8 3.434 -29.256 14.767 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.144 -30.736 12.710 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.605 -31.547 14.200 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.407 -30.850 13.084 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.136 -28.362 12.479 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.379 -28.298 12.755 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.471 -27.294 13.738 1.00 0.00 H new ATOM 155 N ASP A 9 1.792 -31.291 16.874 1.00 0.00 N ATOM 156 CA ASP A 9 2.307 -32.048 18.010 1.00 0.00 C ATOM 157 C ASP A 9 2.837 -33.398 17.525 1.00 0.00 C ATOM 158 O ASP A 9 2.457 -33.863 16.446 1.00 0.00 O ATOM 159 CB ASP A 9 1.204 -32.253 19.058 1.00 0.00 C ATOM 160 CG ASP A 9 1.727 -32.924 20.342 1.00 0.00 C ATOM 161 OD1 ASP A 9 2.888 -32.677 20.735 1.00 0.00 O ATOM 162 OD2 ASP A 9 0.962 -33.687 20.973 1.00 0.00 O ATOM 0 H ASP A 9 1.254 -31.864 16.224 1.00 0.00 H new ATOM 0 HA ASP A 9 3.120 -31.490 18.474 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.763 -31.289 19.310 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.410 -32.865 18.630 1.00 0.00 H new ATOM 167 N GLY A 10 3.729 -34.004 18.305 1.00 0.00 N ATOM 168 CA GLY A 10 4.417 -35.247 17.993 1.00 0.00 C ATOM 169 C GLY A 10 5.898 -35.113 18.334 1.00 0.00 C ATOM 170 O GLY A 10 6.287 -34.221 19.094 1.00 0.00 O ATOM 0 H GLY A 10 4.002 -33.622 19.211 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.977 -36.069 18.557 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.297 -35.485 16.936 1.00 0.00 H new ATOM 174 N ARG A 11 6.748 -35.955 17.739 1.00 0.00 N ATOM 175 CA ARG A 11 8.176 -35.650 17.642 1.00 0.00 C ATOM 176 C ARG A 11 8.305 -34.565 16.575 1.00 0.00 C ATOM 177 O ARG A 11 8.417 -34.895 15.395 1.00 0.00 O ATOM 178 CB ARG A 11 9.003 -36.909 17.309 1.00 0.00 C ATOM 179 CG ARG A 11 10.511 -36.655 17.464 1.00 0.00 C ATOM 180 CD ARG A 11 11.336 -37.773 16.813 1.00 0.00 C ATOM 181 NE ARG A 11 12.758 -37.670 17.187 1.00 0.00 N ATOM 182 CZ ARG A 11 13.822 -37.958 16.422 1.00 0.00 C ATOM 183 NH1 ARG A 11 13.697 -38.234 15.126 1.00 0.00 N ATOM 184 NH2 ARG A 11 15.032 -37.968 16.972 1.00 0.00 N ATOM 0 H ARG A 11 6.475 -36.844 17.321 1.00 0.00 H new ATOM 0 HA ARG A 11 8.574 -35.298 18.593 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.702 -37.726 17.965 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.790 -37.225 16.288 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.769 -35.698 17.010 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.763 -36.584 18.522 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.945 -38.743 17.120 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.237 -37.718 15.729 1.00 0.00 H new ATOM 0 HE ARG A 11 12.955 -37.343 18.133 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.775 -38.230 14.690 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.523 -38.449 14.568 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.143 -37.758 17.964 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.850 -38.185 16.402 1.00 0.00 H new ATOM 198 N VAL A 12 8.221 -33.294 16.963 1.00 0.00 N ATOM 199 CA VAL A 12 8.169 -32.166 16.030 1.00 0.00 C ATOM 200 C VAL A 12 9.206 -31.087 16.384 1.00 0.00 C ATOM 201 O VAL A 12 9.113 -29.968 15.892 1.00 0.00 O ATOM 202 CB VAL A 12 6.721 -31.628 15.904 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.783 -32.685 15.302 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.120 -31.137 17.232 1.00 0.00 C ATOM 0 H VAL A 12 8.187 -33.014 17.943 1.00 0.00 H new ATOM 0 HA VAL A 12 8.452 -32.518 15.038 1.00 0.00 H new ATOM 0 HB VAL A 12 6.802 -30.768 15.240 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.775 -32.277 15.227 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.137 -32.962 14.309 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.770 -33.567 15.942 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.106 -30.776 17.061 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.097 -31.959 17.947 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.731 -30.327 17.630 1.00 0.00 H new ATOM 214 N GLN A 13 10.203 -31.400 17.221 1.00 0.00 N ATOM 215 CA GLN A 13 11.307 -30.498 17.542 1.00 0.00 C ATOM 216 C GLN A 13 12.601 -31.308 17.561 1.00 0.00 C ATOM 217 O GLN A 13 12.580 -32.485 17.938 1.00 0.00 O ATOM 218 CB GLN A 13 11.097 -29.843 18.917 1.00 0.00 C ATOM 219 CG GLN A 13 9.803 -29.021 19.037 1.00 0.00 C ATOM 220 CD GLN A 13 9.769 -28.137 20.289 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.647 -28.176 21.150 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.762 -27.291 20.418 1.00 0.00 N ATOM 0 H GLN A 13 10.263 -32.299 17.698 1.00 0.00 H new ATOM 0 HA GLN A 13 11.356 -29.709 16.791 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.091 -30.622 19.680 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.946 -29.194 19.131 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.695 -28.393 18.153 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.949 -29.698 19.054 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.032 -27.255 19.707 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.715 -26.674 21.229 1.00 0.00 H new ATOM 231 N GLY A 14 13.722 -30.685 17.207 1.00 0.00 N ATOM 232 CA GLY A 14 15.005 -31.360 17.102 1.00 0.00 C ATOM 233 C GLY A 14 15.018 -32.338 15.924 1.00 0.00 C ATOM 234 O GLY A 14 15.656 -33.390 16.010 1.00 0.00 O ATOM 0 H GLY A 14 13.762 -29.690 16.984 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.798 -30.623 16.976 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.214 -31.897 18.027 1.00 0.00 H new ATOM 238 N VAL A 15 14.293 -32.021 14.849 1.00 0.00 N ATOM 239 CA VAL A 15 14.073 -32.878 13.684 1.00 0.00 C ATOM 240 C VAL A 15 14.162 -32.075 12.374 1.00 0.00 C ATOM 241 O VAL A 15 13.892 -32.625 11.301 1.00 0.00 O ATOM 242 CB VAL A 15 12.741 -33.659 13.824 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.807 -34.706 14.945 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.519 -32.761 14.048 1.00 0.00 C ATOM 0 H VAL A 15 13.823 -31.120 14.764 1.00 0.00 H new ATOM 0 HA VAL A 15 14.871 -33.619 13.640 1.00 0.00 H new ATOM 0 HB VAL A 15 12.613 -34.157 12.863 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.854 -35.231 15.010 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.601 -35.421 14.729 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.013 -34.211 15.894 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.625 -33.378 14.136 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.654 -32.185 14.963 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.408 -32.081 13.204 1.00 0.00 H new ATOM 254 N GLY A 16 14.547 -30.799 12.428 1.00 0.00 N ATOM 255 CA GLY A 16 14.652 -29.922 11.276 1.00 0.00 C ATOM 256 C GLY A 16 13.287 -29.336 10.923 1.00 0.00 C ATOM 257 O GLY A 16 13.073 -28.966 9.766 1.00 0.00 O ATOM 0 H GLY A 16 14.800 -30.340 13.303 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.356 -29.117 11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.047 -30.476 10.425 1.00 0.00 H new ATOM 261 N PHE A 17 12.343 -29.312 11.867 1.00 0.00 N ATOM 262 CA PHE A 17 10.956 -29.003 11.573 1.00 0.00 C ATOM 263 C PHE A 17 10.822 -27.567 11.081 1.00 0.00 C ATOM 264 O PHE A 17 10.128 -27.328 10.093 1.00 0.00 O ATOM 265 CB PHE A 17 10.059 -29.255 12.792 1.00 0.00 C ATOM 266 CG PHE A 17 8.651 -29.675 12.409 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.682 -28.712 12.066 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.318 -31.041 12.366 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.389 -29.116 11.686 1.00 0.00 C ATOM 270 CE2 PHE A 17 7.024 -31.444 11.994 1.00 0.00 C ATOM 271 CZ PHE A 17 6.059 -30.483 11.647 1.00 0.00 C ATOM 0 H PHE A 17 12.525 -29.507 12.851 1.00 0.00 H new ATOM 0 HA PHE A 17 10.622 -29.670 10.778 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.508 -30.030 13.414 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.011 -28.349 13.396 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.932 -27.662 12.095 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.060 -31.783 12.620 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.648 -28.375 11.424 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.771 -32.494 11.975 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.068 -30.793 11.351 1.00 0.00 H new ATOM 281 N ARG A 18 11.490 -26.597 11.714 1.00 0.00 N ATOM 282 CA ARG A 18 11.336 -25.199 11.312 1.00 0.00 C ATOM 283 C ARG A 18 11.886 -24.966 9.906 1.00 0.00 C ATOM 284 O ARG A 18 11.244 -24.273 9.118 1.00 0.00 O ATOM 285 CB ARG A 18 12.007 -24.289 12.344 1.00 0.00 C ATOM 286 CG ARG A 18 11.220 -24.269 13.666 1.00 0.00 C ATOM 287 CD ARG A 18 12.016 -23.624 14.798 1.00 0.00 C ATOM 288 NE ARG A 18 13.042 -24.536 15.311 1.00 0.00 N ATOM 289 CZ ARG A 18 13.834 -24.290 16.352 1.00 0.00 C ATOM 290 NH1 ARG A 18 13.866 -23.081 16.912 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.577 -25.269 16.840 1.00 0.00 N ATOM 0 H ARG A 18 12.131 -26.751 12.492 1.00 0.00 H new ATOM 0 HA ARG A 18 10.274 -24.954 11.278 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.024 -24.633 12.529 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.080 -23.277 11.946 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.287 -23.724 13.524 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.955 -25.289 13.945 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.486 -22.708 14.440 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.341 -23.341 15.605 1.00 0.00 H new ATOM 0 HE ARG A 18 13.158 -25.429 14.833 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.279 -22.332 16.543 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.477 -22.904 17.709 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.538 -26.197 16.419 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.189 -25.096 17.637 1.00 0.00 H new ATOM 305 N TYR A 19 13.026 -25.564 9.558 1.00 0.00 N ATOM 306 CA TYR A 19 13.577 -25.462 8.215 1.00 0.00 C ATOM 307 C TYR A 19 12.665 -26.156 7.206 1.00 0.00 C ATOM 308 O TYR A 19 12.414 -25.590 6.144 1.00 0.00 O ATOM 309 CB TYR A 19 14.991 -26.049 8.184 1.00 0.00 C ATOM 310 CG TYR A 19 16.046 -25.116 8.751 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.634 -24.143 7.919 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.432 -25.207 10.103 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.611 -23.270 8.428 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.407 -24.335 10.620 1.00 0.00 C ATOM 315 CZ TYR A 19 18.006 -23.364 9.783 1.00 0.00 C ATOM 316 OH TYR A 19 18.963 -22.537 10.289 1.00 0.00 O ATOM 0 H TYR A 19 13.587 -26.128 10.197 1.00 0.00 H new ATOM 0 HA TYR A 19 13.638 -24.410 7.935 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.001 -26.982 8.748 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.251 -26.296 7.155 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.333 -24.067 6.885 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.978 -25.948 10.744 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.060 -22.528 7.785 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.699 -24.407 11.657 1.00 0.00 H new ATOM 0 HH TYR A 19 19.106 -22.743 11.236 1.00 0.00 H new ATOM 326 N PHE A 20 12.121 -27.335 7.532 1.00 0.00 N ATOM 327 CA PHE A 20 11.161 -28.018 6.673 1.00 0.00 C ATOM 328 C PHE A 20 9.967 -27.106 6.395 1.00 0.00 C ATOM 329 O PHE A 20 9.621 -26.895 5.236 1.00 0.00 O ATOM 330 CB PHE A 20 10.729 -29.346 7.310 1.00 0.00 C ATOM 331 CG PHE A 20 9.527 -29.996 6.648 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.689 -30.746 5.467 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.240 -29.829 7.198 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.571 -31.333 4.847 1.00 0.00 C ATOM 335 CE2 PHE A 20 7.122 -30.402 6.566 1.00 0.00 C ATOM 336 CZ PHE A 20 7.288 -31.160 5.395 1.00 0.00 C ATOM 0 H PHE A 20 12.336 -27.835 8.395 1.00 0.00 H new ATOM 0 HA PHE A 20 11.631 -28.251 5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.568 -30.041 7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.500 -29.173 8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.672 -30.871 5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.112 -29.260 8.107 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.699 -31.918 3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.135 -30.259 6.981 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.431 -31.609 4.916 1.00 0.00 H new ATOM 346 N VAL A 21 9.370 -26.510 7.431 1.00 0.00 N ATOM 347 CA VAL A 21 8.228 -25.622 7.265 1.00 0.00 C ATOM 348 C VAL A 21 8.630 -24.395 6.434 1.00 0.00 C ATOM 349 O VAL A 21 7.863 -23.999 5.561 1.00 0.00 O ATOM 350 CB VAL A 21 7.633 -25.273 8.643 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.522 -24.224 8.551 1.00 0.00 C ATOM 352 CG2 VAL A 21 7.010 -26.516 9.303 1.00 0.00 C ATOM 0 H VAL A 21 9.666 -26.631 8.400 1.00 0.00 H new ATOM 0 HA VAL A 21 7.437 -26.120 6.705 1.00 0.00 H new ATOM 0 HB VAL A 21 8.465 -24.883 9.230 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.137 -24.014 9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.922 -23.308 8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.716 -24.602 7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.597 -26.244 10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.215 -26.906 8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.776 -27.280 9.436 1.00 0.00 H new ATOM 362 N GLN A 22 9.825 -23.821 6.629 1.00 0.00 N ATOM 363 CA GLN A 22 10.279 -22.702 5.807 1.00 0.00 C ATOM 364 C GLN A 22 10.358 -23.117 4.330 1.00 0.00 C ATOM 365 O GLN A 22 9.944 -22.350 3.463 1.00 0.00 O ATOM 366 CB GLN A 22 11.612 -22.139 6.336 1.00 0.00 C ATOM 367 CG GLN A 22 12.058 -20.900 5.539 1.00 0.00 C ATOM 368 CD GLN A 22 13.337 -20.251 6.070 1.00 0.00 C ATOM 369 OE1 GLN A 22 14.428 -20.795 5.921 1.00 0.00 O ATOM 370 NE2 GLN A 22 13.251 -19.066 6.660 1.00 0.00 N ATOM 0 H GLN A 22 10.488 -24.114 7.346 1.00 0.00 H new ATOM 0 HA GLN A 22 9.550 -21.895 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.505 -21.877 7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.382 -22.908 6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.212 -21.185 4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.255 -20.163 5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.341 -18.621 6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.095 -18.600 6.994 1.00 0.00 H new ATOM 379 N MET A 23 10.842 -24.321 4.019 1.00 0.00 N ATOM 380 CA MET A 23 10.917 -24.795 2.639 1.00 0.00 C ATOM 381 C MET A 23 9.520 -25.100 2.083 1.00 0.00 C ATOM 382 O MET A 23 9.260 -24.835 0.912 1.00 0.00 O ATOM 383 CB MET A 23 11.813 -26.041 2.553 1.00 0.00 C ATOM 384 CG MET A 23 13.277 -25.723 2.879 1.00 0.00 C ATOM 385 SD MET A 23 14.346 -27.185 2.969 1.00 0.00 S ATOM 386 CE MET A 23 15.878 -26.395 3.534 1.00 0.00 C ATOM 0 H MET A 23 11.189 -24.987 4.709 1.00 0.00 H new ATOM 0 HA MET A 23 11.355 -24.003 2.031 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.445 -26.800 3.244 1.00 0.00 H new ATOM 0 HB3 MET A 23 11.749 -26.464 1.551 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.669 -25.045 2.120 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.320 -25.195 3.831 1.00 0.00 H new ATOM 0 HE1 MET A 23 16.656 -27.150 3.646 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.196 -25.652 2.802 1.00 0.00 H new ATOM 0 HE3 MET A 23 15.704 -25.908 4.493 1.00 0.00 H new ATOM 396 N GLU A 24 8.595 -25.613 2.897 1.00 0.00 N ATOM 397 CA GLU A 24 7.221 -25.861 2.477 1.00 0.00 C ATOM 398 C GLU A 24 6.426 -24.561 2.314 1.00 0.00 C ATOM 399 O GLU A 24 5.442 -24.539 1.572 1.00 0.00 O ATOM 400 CB GLU A 24 6.532 -26.815 3.463 1.00 0.00 C ATOM 401 CG GLU A 24 7.068 -28.255 3.391 1.00 0.00 C ATOM 402 CD GLU A 24 7.023 -28.867 1.977 1.00 0.00 C ATOM 403 OE1 GLU A 24 6.058 -28.598 1.227 1.00 0.00 O ATOM 404 OE2 GLU A 24 7.956 -29.615 1.602 1.00 0.00 O ATOM 0 H GLU A 24 8.782 -25.867 3.867 1.00 0.00 H new ATOM 0 HA GLU A 24 7.251 -26.334 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.663 -26.436 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.461 -26.823 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.097 -28.268 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.487 -28.883 4.067 1.00 0.00 H new ATOM 411 N ALA A 25 6.848 -23.468 2.954 1.00 0.00 N ATOM 412 CA ALA A 25 6.371 -22.137 2.623 1.00 0.00 C ATOM 413 C ALA A 25 7.000 -21.695 1.299 1.00 0.00 C ATOM 414 O ALA A 25 6.291 -21.213 0.416 1.00 0.00 O ATOM 415 CB ALA A 25 6.711 -21.162 3.757 1.00 0.00 C ATOM 0 H ALA A 25 7.529 -23.488 3.714 1.00 0.00 H new ATOM 0 HA ALA A 25 5.287 -22.146 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.350 -20.166 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.234 -21.495 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.791 -21.131 3.898 1.00 0.00 H new ATOM 421 N ASP A 26 8.315 -21.881 1.137 1.00 0.00 N ATOM 422 CA ASP A 26 9.080 -21.392 -0.010 1.00 0.00 C ATOM 423 C ASP A 26 8.620 -22.020 -1.321 1.00 0.00 C ATOM 424 O ASP A 26 8.532 -21.329 -2.333 1.00 0.00 O ATOM 425 CB ASP A 26 10.577 -21.677 0.155 1.00 0.00 C ATOM 426 CG ASP A 26 11.368 -21.070 -1.019 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.270 -19.845 -1.255 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.103 -21.819 -1.702 1.00 0.00 O ATOM 0 H ASP A 26 8.886 -22.386 1.815 1.00 0.00 H new ATOM 0 HA ASP A 26 8.905 -20.317 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.932 -21.259 1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.747 -22.753 0.200 1.00 0.00 H new ATOM 433 N LYS A 27 8.260 -23.309 -1.313 1.00 0.00 N ATOM 434 CA LYS A 27 7.810 -24.010 -2.521 1.00 0.00 C ATOM 435 C LYS A 27 6.556 -23.381 -3.143 1.00 0.00 C ATOM 436 O LYS A 27 6.283 -23.634 -4.315 1.00 0.00 O ATOM 437 CB LYS A 27 7.679 -25.528 -2.274 1.00 0.00 C ATOM 438 CG LYS A 27 6.538 -25.962 -1.337 1.00 0.00 C ATOM 439 CD LYS A 27 5.202 -26.236 -2.051 1.00 0.00 C ATOM 440 CE LYS A 27 4.050 -26.489 -1.064 1.00 0.00 C ATOM 441 NZ LYS A 27 4.073 -27.853 -0.483 1.00 0.00 N ATOM 0 H LYS A 27 8.272 -23.892 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 27 8.587 -23.885 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.541 -26.022 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.620 -25.892 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.843 -26.863 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.384 -25.186 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.952 -25.386 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.313 -27.101 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.102 -25.756 -0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.100 -26.334 -1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.264 -27.970 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.013 -28.557 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.958 -27.990 0.045 1.00 0.00 H new ATOM 455 N ARG A 28 5.810 -22.554 -2.396 1.00 0.00 N ATOM 456 CA ARG A 28 4.673 -21.781 -2.909 1.00 0.00 C ATOM 457 C ARG A 28 4.789 -20.303 -2.498 1.00 0.00 C ATOM 458 O ARG A 28 3.785 -19.593 -2.468 1.00 0.00 O ATOM 459 CB ARG A 28 3.359 -22.481 -2.488 1.00 0.00 C ATOM 460 CG ARG A 28 2.246 -22.297 -3.530 1.00 0.00 C ATOM 461 CD ARG A 28 1.141 -23.355 -3.395 1.00 0.00 C ATOM 462 NE ARG A 28 0.074 -23.094 -4.378 1.00 0.00 N ATOM 463 CZ ARG A 28 -1.098 -23.730 -4.491 1.00 0.00 C ATOM 464 NH1 ARG A 28 -1.445 -24.720 -3.678 1.00 0.00 N ATOM 465 NH2 ARG A 28 -1.959 -23.362 -5.431 1.00 0.00 N ATOM 0 H ARG A 28 5.984 -22.402 -1.402 1.00 0.00 H new ATOM 0 HA ARG A 28 4.672 -21.758 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.546 -23.545 -2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.027 -22.082 -1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.810 -21.304 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.676 -22.349 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.557 -24.350 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.730 -23.337 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 28 0.249 -22.344 -5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.810 -25.018 -2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.347 -25.182 -3.793 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.727 -22.597 -6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.853 -23.844 -5.520 1.00 0.00 H new ATOM 479 N LYS A 29 6.014 -19.857 -2.175 1.00 0.00 N ATOM 480 CA LYS A 29 6.401 -18.564 -1.597 1.00 0.00 C ATOM 481 C LYS A 29 5.314 -17.927 -0.727 1.00 0.00 C ATOM 482 O LYS A 29 4.919 -16.776 -0.929 1.00 0.00 O ATOM 483 CB LYS A 29 7.013 -17.632 -2.661 1.00 0.00 C ATOM 484 CG LYS A 29 8.348 -18.209 -3.165 1.00 0.00 C ATOM 485 CD LYS A 29 9.150 -17.210 -4.006 1.00 0.00 C ATOM 486 CE LYS A 29 10.503 -17.800 -4.440 1.00 0.00 C ATOM 487 NZ LYS A 29 11.459 -17.970 -3.314 1.00 0.00 N ATOM 0 H LYS A 29 6.831 -20.448 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 29 7.200 -18.758 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.321 -17.515 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.173 -16.640 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.949 -18.521 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.151 -19.101 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.574 -16.930 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.316 -16.299 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.335 -18.767 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.950 -17.150 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.403 -18.191 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.504 -17.090 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.139 -18.747 -2.702 1.00 0.00 H new ATOM 501 N LEU A 30 4.841 -18.690 0.261 1.00 0.00 N ATOM 502 CA LEU A 30 4.085 -18.161 1.385 1.00 0.00 C ATOM 503 C LEU A 30 4.999 -17.282 2.244 1.00 0.00 C ATOM 504 O LEU A 30 6.227 -17.343 2.140 1.00 0.00 O ATOM 505 CB LEU A 30 3.520 -19.320 2.222 1.00 0.00 C ATOM 506 CG LEU A 30 2.438 -20.155 1.516 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.001 -21.288 2.439 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.206 -19.323 1.161 1.00 0.00 C ATOM 0 H LEU A 30 4.976 -19.700 0.298 1.00 0.00 H new ATOM 0 HA LEU A 30 3.255 -17.558 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.341 -19.979 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.103 -18.915 3.144 1.00 0.00 H new ATOM 0 HG LEU A 30 2.871 -20.538 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.234 -21.884 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.858 -21.920 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.598 -20.871 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.470 -19.956 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.773 -18.908 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.495 -18.511 0.494 1.00 0.00 H new ATOM 520 N ALA A 31 4.388 -16.501 3.133 1.00 0.00 N ATOM 521 CA ALA A 31 5.051 -15.665 4.127 1.00 0.00 C ATOM 522 C ALA A 31 4.422 -15.961 5.491 1.00 0.00 C ATOM 523 O ALA A 31 3.381 -16.619 5.539 1.00 0.00 O ATOM 524 CB ALA A 31 4.872 -14.206 3.724 1.00 0.00 C ATOM 0 H ALA A 31 3.371 -16.432 3.181 1.00 0.00 H new ATOM 0 HA ALA A 31 6.119 -15.872 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.362 -13.564 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.317 -14.042 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.809 -13.967 3.685 1.00 0.00 H new ATOM 530 N GLY A 32 5.060 -15.560 6.590 1.00 0.00 N ATOM 531 CA GLY A 32 4.659 -15.981 7.922 1.00 0.00 C ATOM 532 C GLY A 32 5.837 -16.109 8.880 1.00 0.00 C ATOM 533 O GLY A 32 6.858 -15.427 8.735 1.00 0.00 O ATOM 0 H GLY A 32 5.867 -14.936 6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.945 -15.263 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.145 -16.940 7.856 1.00 0.00 H new ATOM 537 N TRP A 33 5.697 -17.005 9.852 1.00 0.00 N ATOM 538 CA TRP A 33 6.788 -17.553 10.631 1.00 0.00 C ATOM 539 C TRP A 33 6.442 -18.966 11.109 1.00 0.00 C ATOM 540 O TRP A 33 5.281 -19.387 11.055 1.00 0.00 O ATOM 541 CB TRP A 33 7.128 -16.633 11.816 1.00 0.00 C ATOM 542 CG TRP A 33 6.053 -16.414 12.840 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.681 -17.290 13.803 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.229 -15.227 13.053 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.692 -16.735 14.587 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.401 -15.446 14.194 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.118 -13.973 12.413 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.532 -14.464 14.690 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.235 -12.986 12.892 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.446 -13.226 14.032 1.00 0.00 C ATOM 0 H TRP A 33 4.788 -17.378 10.124 1.00 0.00 H new ATOM 0 HA TRP A 33 7.672 -17.616 9.996 1.00 0.00 H new ATOM 0 HB2 TRP A 33 8.001 -17.044 12.324 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.419 -15.661 11.417 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.097 -18.277 13.937 1.00 0.00 H new ATOM 0 HE1 TRP A 33 4.234 -17.217 15.360 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.721 -13.767 11.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.935 -14.657 15.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.163 -12.038 12.380 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.777 -12.462 14.399 1.00 0.00 H new ATOM 561 N VAL A 34 7.442 -19.659 11.655 1.00 0.00 N ATOM 562 CA VAL A 34 7.316 -20.928 12.359 1.00 0.00 C ATOM 563 C VAL A 34 8.140 -20.832 13.642 1.00 0.00 C ATOM 564 O VAL A 34 9.206 -20.210 13.650 1.00 0.00 O ATOM 565 CB VAL A 34 7.761 -22.088 11.441 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.226 -21.991 10.983 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.524 -23.450 12.109 1.00 0.00 C ATOM 0 H VAL A 34 8.407 -19.331 11.614 1.00 0.00 H new ATOM 0 HA VAL A 34 6.280 -21.135 12.628 1.00 0.00 H new ATOM 0 HB VAL A 34 7.140 -21.999 10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.464 -22.840 10.342 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.373 -21.065 10.427 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.881 -21.999 11.854 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.847 -24.246 11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.093 -23.504 13.037 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.463 -23.568 12.327 1.00 0.00 H new ATOM 577 N LYS A 35 7.667 -21.457 14.720 1.00 0.00 N ATOM 578 CA LYS A 35 8.314 -21.450 16.025 1.00 0.00 C ATOM 579 C LYS A 35 8.160 -22.821 16.669 1.00 0.00 C ATOM 580 O LYS A 35 7.129 -23.484 16.519 1.00 0.00 O ATOM 581 CB LYS A 35 7.717 -20.336 16.916 1.00 0.00 C ATOM 582 CG LYS A 35 6.197 -20.469 17.095 1.00 0.00 C ATOM 583 CD LYS A 35 5.548 -19.393 17.968 1.00 0.00 C ATOM 584 CE LYS A 35 5.773 -19.614 19.469 1.00 0.00 C ATOM 585 NZ LYS A 35 4.677 -19.001 20.263 1.00 0.00 N ATOM 0 H LYS A 35 6.801 -21.995 14.706 1.00 0.00 H new ATOM 0 HA LYS A 35 9.377 -21.239 15.907 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.197 -20.363 17.894 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.943 -19.365 16.476 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.728 -20.448 16.111 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.982 -21.445 17.530 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.946 -18.418 17.687 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.477 -19.369 17.768 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.827 -20.682 19.680 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.729 -19.182 19.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.823 -19.206 21.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.675 -17.971 20.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.765 -19.396 19.958 1.00 0.00 H new ATOM 599 N ASN A 36 9.174 -23.211 17.435 1.00 0.00 N ATOM 600 CA ASN A 36 9.053 -24.280 18.413 1.00 0.00 C ATOM 601 C ASN A 36 8.478 -23.611 19.653 1.00 0.00 C ATOM 602 O ASN A 36 9.087 -22.662 20.158 1.00 0.00 O ATOM 603 CB ASN A 36 10.441 -24.876 18.709 1.00 0.00 C ATOM 604 CG ASN A 36 10.922 -25.888 17.668 1.00 0.00 C ATOM 605 OD1 ASN A 36 10.320 -26.053 16.613 1.00 0.00 O ATOM 606 ND2 ASN A 36 12.021 -26.564 17.952 1.00 0.00 N ATOM 0 H ASN A 36 10.103 -22.792 17.393 1.00 0.00 H new ATOM 0 HA ASN A 36 8.422 -25.098 18.066 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.166 -24.065 18.774 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.416 -25.360 19.685 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.389 -27.243 17.286 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.502 -26.407 18.838 1.00 0.00 H new ATOM 613 N ARG A 37 7.313 -24.053 20.135 1.00 0.00 N ATOM 614 CA ARG A 37 6.794 -23.596 21.423 1.00 0.00 C ATOM 615 C ARG A 37 7.611 -24.261 22.528 1.00 0.00 C ATOM 616 O ARG A 37 8.015 -25.417 22.382 1.00 0.00 O ATOM 617 CB ARG A 37 5.307 -23.966 21.573 1.00 0.00 C ATOM 618 CG ARG A 37 4.360 -23.176 20.652 1.00 0.00 C ATOM 619 CD ARG A 37 2.908 -23.567 20.975 1.00 0.00 C ATOM 620 NE ARG A 37 1.941 -22.538 20.557 1.00 0.00 N ATOM 621 CZ ARG A 37 0.649 -22.477 20.906 1.00 0.00 C ATOM 622 NH1 ARG A 37 0.115 -23.409 21.694 1.00 0.00 N ATOM 623 NH2 ARG A 37 -0.109 -21.483 20.457 1.00 0.00 N ATOM 0 H ARG A 37 6.715 -24.724 19.653 1.00 0.00 H new ATOM 0 HA ARG A 37 6.877 -22.511 21.489 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.188 -25.030 21.370 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.007 -23.803 22.608 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.502 -22.105 20.795 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.585 -23.391 19.607 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.670 -24.508 20.479 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.811 -23.738 22.047 1.00 0.00 H new ATOM 0 HE ARG A 37 2.288 -21.801 19.943 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.691 -24.178 22.037 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.870 -23.354 21.954 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.293 -20.770 19.849 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.093 -21.433 20.720 1.00 0.00 H new ATOM 637 N ASP A 38 7.772 -23.592 23.670 1.00 0.00 N ATOM 638 CA ASP A 38 8.395 -24.192 24.858 1.00 0.00 C ATOM 639 C ASP A 38 7.578 -25.378 25.389 1.00 0.00 C ATOM 640 O ASP A 38 8.121 -26.289 26.012 1.00 0.00 O ATOM 641 CB ASP A 38 8.562 -23.129 25.950 1.00 0.00 C ATOM 642 CG ASP A 38 9.182 -23.721 27.228 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.396 -24.029 27.230 1.00 0.00 O ATOM 644 OD2 ASP A 38 8.473 -23.837 28.252 1.00 0.00 O ATOM 0 H ASP A 38 7.477 -22.624 23.801 1.00 0.00 H new ATOM 0 HA ASP A 38 9.375 -24.572 24.569 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.194 -22.322 25.579 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.591 -22.692 26.185 1.00 0.00 H new ATOM 649 N ASP A 39 6.277 -25.400 25.076 1.00 0.00 N ATOM 650 CA ASP A 39 5.356 -26.502 25.353 1.00 0.00 C ATOM 651 C ASP A 39 5.771 -27.818 24.670 1.00 0.00 C ATOM 652 O ASP A 39 5.360 -28.894 25.110 1.00 0.00 O ATOM 653 CB ASP A 39 3.957 -26.083 24.877 1.00 0.00 C ATOM 654 CG ASP A 39 2.923 -27.205 25.038 1.00 0.00 C ATOM 655 OD1 ASP A 39 2.494 -27.484 26.181 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.508 -27.774 24.005 1.00 0.00 O ATOM 0 H ASP A 39 5.822 -24.618 24.604 1.00 0.00 H new ATOM 0 HA ASP A 39 5.369 -26.697 26.425 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.631 -25.209 25.441 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.007 -25.786 23.829 1.00 0.00 H new ATOM 661 N GLY A 40 6.592 -27.753 23.614 1.00 0.00 N ATOM 662 CA GLY A 40 7.054 -28.912 22.849 1.00 0.00 C ATOM 663 C GLY A 40 6.325 -29.055 21.508 1.00 0.00 C ATOM 664 O GLY A 40 6.801 -29.762 20.619 1.00 0.00 O ATOM 0 H GLY A 40 6.961 -26.870 23.261 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.125 -28.822 22.669 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.905 -29.816 23.439 1.00 0.00 H new ATOM 668 N ARG A 41 5.190 -28.372 21.338 1.00 0.00 N ATOM 669 CA ARG A 41 4.480 -28.268 20.068 1.00 0.00 C ATOM 670 C ARG A 41 5.243 -27.370 19.099 1.00 0.00 C ATOM 671 O ARG A 41 6.180 -26.661 19.478 1.00 0.00 O ATOM 672 CB ARG A 41 3.053 -27.746 20.334 1.00 0.00 C ATOM 673 CG ARG A 41 2.171 -28.872 20.891 1.00 0.00 C ATOM 674 CD ARG A 41 0.763 -28.369 21.225 1.00 0.00 C ATOM 675 NE ARG A 41 -0.140 -29.474 21.593 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.189 -30.105 22.775 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.622 -29.765 23.774 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.065 -31.088 22.953 1.00 0.00 N ATOM 0 H ARG A 41 4.733 -27.867 22.097 1.00 0.00 H new ATOM 0 HA ARG A 41 4.409 -29.250 19.600 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.087 -26.917 21.041 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.622 -27.359 19.411 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.107 -29.680 20.162 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.632 -29.287 21.787 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.818 -27.655 22.047 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.354 -27.836 20.366 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.793 -29.791 20.877 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.298 -29.011 23.648 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.568 -30.258 24.665 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.692 -31.356 22.194 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.111 -31.575 23.848 1.00 0.00 H new ATOM 692 N VAL A 42 4.806 -27.352 17.851 1.00 0.00 N ATOM 693 CA VAL A 42 5.192 -26.346 16.872 1.00 0.00 C ATOM 694 C VAL A 42 3.971 -25.463 16.664 1.00 0.00 C ATOM 695 O VAL A 42 2.830 -25.920 16.783 1.00 0.00 O ATOM 696 CB VAL A 42 5.690 -27.028 15.579 1.00 0.00 C ATOM 697 CG1 VAL A 42 5.814 -26.094 14.362 1.00 0.00 C ATOM 698 CG2 VAL A 42 7.063 -27.648 15.834 1.00 0.00 C ATOM 0 H VAL A 42 4.160 -28.050 17.481 1.00 0.00 H new ATOM 0 HA VAL A 42 6.025 -25.729 17.209 1.00 0.00 H new ATOM 0 HB VAL A 42 4.931 -27.771 15.332 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.170 -26.662 13.502 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.839 -25.663 14.134 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.520 -25.295 14.587 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.419 -28.131 14.924 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.765 -26.868 16.130 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.986 -28.388 16.631 1.00 0.00 H new ATOM 708 N GLU A 43 4.223 -24.206 16.326 1.00 0.00 N ATOM 709 CA GLU A 43 3.210 -23.249 15.937 1.00 0.00 C ATOM 710 C GLU A 43 3.733 -22.540 14.692 1.00 0.00 C ATOM 711 O GLU A 43 4.939 -22.346 14.522 1.00 0.00 O ATOM 712 CB GLU A 43 2.920 -22.328 17.129 1.00 0.00 C ATOM 713 CG GLU A 43 2.132 -21.051 16.807 1.00 0.00 C ATOM 714 CD GLU A 43 1.694 -20.340 18.095 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.488 -20.258 19.061 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.517 -19.933 18.195 1.00 0.00 O ATOM 0 H GLU A 43 5.166 -23.818 16.316 1.00 0.00 H new ATOM 0 HA GLU A 43 2.252 -23.702 15.680 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.366 -22.896 17.877 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.869 -22.043 17.583 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.747 -20.380 16.208 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.256 -21.300 16.208 1.00 0.00 H new ATOM 723 N ILE A 44 2.816 -22.186 13.801 1.00 0.00 N ATOM 724 CA ILE A 44 3.080 -21.588 12.509 1.00 0.00 C ATOM 725 C ILE A 44 2.016 -20.506 12.358 1.00 0.00 C ATOM 726 O ILE A 44 0.884 -20.694 12.814 1.00 0.00 O ATOM 727 CB ILE A 44 2.945 -22.637 11.374 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.384 -24.075 11.758 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.704 -22.139 10.136 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.282 -25.113 10.635 1.00 0.00 C ATOM 0 H ILE A 44 1.819 -22.317 13.974 1.00 0.00 H new ATOM 0 HA ILE A 44 4.093 -21.190 12.444 1.00 0.00 H new ATOM 0 HB ILE A 44 1.880 -22.728 11.161 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.416 -24.041 12.106 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.775 -24.411 12.597 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.613 -22.872 9.334 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.282 -21.189 9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.756 -22.002 10.385 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.612 -26.084 11.006 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.248 -25.185 10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.914 -24.810 9.801 1.00 0.00 H new ATOM 742 N LEU A 45 2.343 -19.401 11.700 1.00 0.00 N ATOM 743 CA LEU A 45 1.389 -18.339 11.414 1.00 0.00 C ATOM 744 C LEU A 45 1.768 -17.826 10.034 1.00 0.00 C ATOM 745 O LEU A 45 2.905 -17.395 9.863 1.00 0.00 O ATOM 746 CB LEU A 45 1.470 -17.275 12.526 1.00 0.00 C ATOM 747 CG LEU A 45 0.137 -16.548 12.758 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.227 -15.689 14.023 1.00 0.00 C ATOM 749 CD2 LEU A 45 -0.266 -15.656 11.584 1.00 0.00 C ATOM 0 H LEU A 45 3.282 -19.216 11.348 1.00 0.00 H new ATOM 0 HA LEU A 45 0.348 -18.663 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.785 -17.751 13.455 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.236 -16.544 12.267 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.625 -17.320 12.865 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.721 -15.176 14.182 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.444 -16.326 14.881 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.023 -14.953 13.907 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.215 -15.169 11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.501 -14.899 11.422 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.371 -16.263 10.685 1.00 0.00 H new ATOM 761 N ALA A 46 0.892 -17.964 9.036 1.00 0.00 N ATOM 762 CA ALA A 46 1.262 -17.855 7.629 1.00 0.00 C ATOM 763 C ALA A 46 0.189 -17.144 6.812 1.00 0.00 C ATOM 764 O ALA A 46 -0.975 -17.117 7.203 1.00 0.00 O ATOM 765 CB ALA A 46 1.533 -19.253 7.061 1.00 0.00 C ATOM 0 H ALA A 46 -0.099 -18.156 9.186 1.00 0.00 H new ATOM 0 HA ALA A 46 2.167 -17.252 7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.809 -19.171 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.348 -19.719 7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.635 -19.864 7.154 1.00 0.00 H new ATOM 771 N GLU A 47 0.587 -16.600 5.666 1.00 0.00 N ATOM 772 CA GLU A 47 -0.150 -15.645 4.852 1.00 0.00 C ATOM 773 C GLU A 47 -0.041 -16.100 3.394 1.00 0.00 C ATOM 774 O GLU A 47 1.066 -16.403 2.931 1.00 0.00 O ATOM 775 CB GLU A 47 0.499 -14.251 4.963 1.00 0.00 C ATOM 776 CG GLU A 47 0.646 -13.675 6.378 1.00 0.00 C ATOM 777 CD GLU A 47 1.552 -12.437 6.337 1.00 0.00 C ATOM 778 OE1 GLU A 47 2.789 -12.603 6.432 1.00 0.00 O ATOM 779 OE2 GLU A 47 1.027 -11.309 6.179 1.00 0.00 O ATOM 0 H GLU A 47 1.492 -16.831 5.257 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.187 -15.594 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.489 -14.298 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.090 -13.552 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.333 -13.409 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.069 -14.426 7.045 1.00 0.00 H new ATOM 786 N GLY A 48 -1.161 -16.134 2.672 1.00 0.00 N ATOM 787 CA GLY A 48 -1.202 -16.511 1.265 1.00 0.00 C ATOM 788 C GLY A 48 -2.630 -16.791 0.802 1.00 0.00 C ATOM 789 O GLY A 48 -3.571 -16.612 1.580 1.00 0.00 O ATOM 0 H GLY A 48 -2.076 -15.897 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.772 -15.712 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.587 -17.397 1.106 1.00 0.00 H new ATOM 793 N PRO A 49 -2.827 -17.201 -0.462 1.00 0.00 N ATOM 794 CA PRO A 49 -4.132 -17.624 -0.946 1.00 0.00 C ATOM 795 C PRO A 49 -4.540 -18.944 -0.282 1.00 0.00 C ATOM 796 O PRO A 49 -3.696 -19.765 0.087 1.00 0.00 O ATOM 797 CB PRO A 49 -3.983 -17.743 -2.466 1.00 0.00 C ATOM 798 CG PRO A 49 -2.500 -18.053 -2.665 1.00 0.00 C ATOM 799 CD PRO A 49 -1.816 -17.332 -1.501 1.00 0.00 C ATOM 0 HA PRO A 49 -4.925 -16.918 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.615 -18.535 -2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.270 -16.820 -2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.309 -19.126 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.141 -17.689 -3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.957 -17.899 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.446 -16.355 -1.811 1.00 0.00 H new ATOM 807 N GLU A 50 -5.850 -19.170 -0.165 1.00 0.00 N ATOM 808 CA GLU A 50 -6.424 -20.277 0.598 1.00 0.00 C ATOM 809 C GLU A 50 -5.973 -21.644 0.066 1.00 0.00 C ATOM 810 O GLU A 50 -5.802 -22.584 0.841 1.00 0.00 O ATOM 811 CB GLU A 50 -7.956 -20.133 0.565 1.00 0.00 C ATOM 812 CG GLU A 50 -8.685 -21.113 1.495 1.00 0.00 C ATOM 813 CD GLU A 50 -10.212 -20.957 1.387 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.829 -21.586 0.498 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.817 -20.217 2.195 1.00 0.00 O ATOM 0 H GLU A 50 -6.553 -18.577 -0.606 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.067 -20.231 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.223 -19.114 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.305 -20.286 -0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.403 -22.135 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.372 -20.941 2.525 1.00 0.00 H new ATOM 822 N ASN A 51 -5.767 -21.789 -1.248 1.00 0.00 N ATOM 823 CA ASN A 51 -5.324 -23.067 -1.811 1.00 0.00 C ATOM 824 C ASN A 51 -3.862 -23.359 -1.463 1.00 0.00 C ATOM 825 O ASN A 51 -3.513 -24.511 -1.209 1.00 0.00 O ATOM 826 CB ASN A 51 -5.541 -23.104 -3.330 1.00 0.00 C ATOM 827 CG ASN A 51 -5.261 -24.502 -3.873 1.00 0.00 C ATOM 828 OD1 ASN A 51 -4.195 -24.764 -4.421 1.00 0.00 O ATOM 829 ND2 ASN A 51 -6.191 -25.430 -3.727 1.00 0.00 N ATOM 0 H ASN A 51 -5.898 -21.046 -1.934 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.933 -23.851 -1.360 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.565 -22.814 -3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.886 -22.380 -3.815 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.026 -26.376 -4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.073 -25.200 -3.270 1.00 0.00 H new ATOM 836 N ALA A 52 -3.019 -22.322 -1.404 1.00 0.00 N ATOM 837 CA ALA A 52 -1.624 -22.471 -1.000 1.00 0.00 C ATOM 838 C ALA A 52 -1.526 -22.763 0.495 1.00 0.00 C ATOM 839 O ALA A 52 -0.743 -23.618 0.908 1.00 0.00 O ATOM 840 CB ALA A 52 -0.818 -21.224 -1.373 1.00 0.00 C ATOM 0 H ALA A 52 -3.285 -21.365 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.198 -23.319 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.219 -21.355 -1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.858 -21.074 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.240 -20.354 -0.870 1.00 0.00 H new ATOM 846 N LEU A 53 -2.350 -22.093 1.301 1.00 0.00 N ATOM 847 CA LEU A 53 -2.487 -22.365 2.726 1.00 0.00 C ATOM 848 C LEU A 53 -2.923 -23.814 2.957 1.00 0.00 C ATOM 849 O LEU A 53 -2.393 -24.472 3.850 1.00 0.00 O ATOM 850 CB LEU A 53 -3.473 -21.351 3.338 1.00 0.00 C ATOM 851 CG LEU A 53 -2.817 -20.203 4.134 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.614 -19.561 3.433 1.00 0.00 C ATOM 853 CD2 LEU A 53 -3.858 -19.108 4.394 1.00 0.00 C ATOM 0 H LEU A 53 -2.949 -21.335 0.974 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.525 -22.247 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.073 -20.921 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.158 -21.885 3.997 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.450 -20.650 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.211 -18.764 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.845 -20.315 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.929 -19.147 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.398 -18.295 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.230 -18.727 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.687 -19.523 4.968 1.00 0.00 H new ATOM 865 N GLN A 54 -3.835 -24.343 2.138 1.00 0.00 N ATOM 866 CA GLN A 54 -4.236 -25.741 2.215 1.00 0.00 C ATOM 867 C GLN A 54 -3.076 -26.678 1.858 1.00 0.00 C ATOM 868 O GLN A 54 -2.806 -27.589 2.641 1.00 0.00 O ATOM 869 CB GLN A 54 -5.465 -25.976 1.329 1.00 0.00 C ATOM 870 CG GLN A 54 -6.752 -25.559 2.053 1.00 0.00 C ATOM 871 CD GLN A 54 -7.932 -25.566 1.088 1.00 0.00 C ATOM 872 OE1 GLN A 54 -8.760 -26.473 1.074 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.003 -24.554 0.244 1.00 0.00 N ATOM 0 H GLN A 54 -4.312 -23.814 1.408 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.510 -25.974 3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.364 -25.409 0.403 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.523 -27.029 1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.948 -26.240 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.630 -24.564 2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.303 -23.813 0.276 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.758 -24.513 -0.440 1.00 0.00 H new ATOM 882 N SER A 55 -2.354 -26.476 0.747 1.00 0.00 N ATOM 883 CA SER A 55 -1.235 -27.363 0.410 1.00 0.00 C ATOM 884 C SER A 55 -0.139 -27.311 1.486 1.00 0.00 C ATOM 885 O SER A 55 0.504 -28.319 1.790 1.00 0.00 O ATOM 886 CB SER A 55 -0.686 -27.044 -0.988 1.00 0.00 C ATOM 887 OG SER A 55 -0.440 -25.660 -1.193 1.00 0.00 O ATOM 0 H SER A 55 -2.520 -25.723 0.080 1.00 0.00 H new ATOM 0 HA SER A 55 -1.608 -28.387 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.240 -27.597 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.395 -27.395 -1.738 1.00 0.00 H new ATOM 0 HG SER A 55 -0.496 -25.187 -0.336 1.00 0.00 H new ATOM 893 N PHE A 56 0.057 -26.139 2.092 1.00 0.00 N ATOM 894 CA PHE A 56 0.988 -25.949 3.186 1.00 0.00 C ATOM 895 C PHE A 56 0.561 -26.765 4.406 1.00 0.00 C ATOM 896 O PHE A 56 1.390 -27.496 4.941 1.00 0.00 O ATOM 897 CB PHE A 56 1.081 -24.451 3.469 1.00 0.00 C ATOM 898 CG PHE A 56 2.034 -24.021 4.562 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.402 -24.339 4.472 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.570 -23.215 5.621 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.304 -23.840 5.424 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.475 -22.720 6.574 1.00 0.00 C ATOM 903 CZ PHE A 56 3.843 -23.020 6.466 1.00 0.00 C ATOM 0 H PHE A 56 -0.438 -25.287 1.827 1.00 0.00 H new ATOM 0 HA PHE A 56 1.981 -26.313 2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.373 -23.949 2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.085 -24.091 3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.758 -24.968 3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.519 -22.978 5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.353 -24.087 5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.119 -22.109 7.390 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.541 -22.619 7.186 1.00 0.00 H new ATOM 913 N VAL A 57 -0.715 -26.726 4.806 1.00 0.00 N ATOM 914 CA VAL A 57 -1.219 -27.580 5.882 1.00 0.00 C ATOM 915 C VAL A 57 -0.964 -29.048 5.530 1.00 0.00 C ATOM 916 O VAL A 57 -0.430 -29.777 6.367 1.00 0.00 O ATOM 917 CB VAL A 57 -2.709 -27.290 6.177 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.361 -28.348 7.084 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.866 -25.933 6.879 1.00 0.00 C ATOM 0 H VAL A 57 -1.418 -26.109 4.398 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.681 -27.357 6.803 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.205 -27.299 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.406 -28.088 7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.304 -29.325 6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.836 -28.382 8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.921 -25.746 7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.315 -25.944 7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.473 -25.144 6.238 1.00 0.00 H new ATOM 929 N GLU A 58 -1.286 -29.476 4.303 1.00 0.00 N ATOM 930 CA GLU A 58 -1.140 -30.865 3.871 1.00 0.00 C ATOM 931 C GLU A 58 0.309 -31.334 4.047 1.00 0.00 C ATOM 932 O GLU A 58 0.551 -32.441 4.530 1.00 0.00 O ATOM 933 CB GLU A 58 -1.600 -31.035 2.413 1.00 0.00 C ATOM 934 CG GLU A 58 -3.118 -30.906 2.212 1.00 0.00 C ATOM 935 CD GLU A 58 -3.873 -32.172 2.650 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.061 -33.091 1.821 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.289 -32.260 3.826 1.00 0.00 O ATOM 0 H GLU A 58 -1.658 -28.861 3.579 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.778 -31.488 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.099 -30.289 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.279 -32.013 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.486 -30.051 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.328 -30.706 1.161 1.00 0.00 H new ATOM 944 N ALA A 59 1.270 -30.473 3.705 1.00 0.00 N ATOM 945 CA ALA A 59 2.688 -30.748 3.885 1.00 0.00 C ATOM 946 C ALA A 59 3.080 -30.777 5.368 1.00 0.00 C ATOM 947 O ALA A 59 3.824 -31.660 5.793 1.00 0.00 O ATOM 948 CB ALA A 59 3.518 -29.709 3.127 1.00 0.00 C ATOM 0 H ALA A 59 1.079 -29.560 3.293 1.00 0.00 H new ATOM 0 HA ALA A 59 2.894 -31.738 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.579 -29.919 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.275 -29.753 2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.293 -28.714 3.510 1.00 0.00 H new ATOM 954 N VAL A 60 2.568 -29.845 6.175 1.00 0.00 N ATOM 955 CA VAL A 60 2.825 -29.798 7.610 1.00 0.00 C ATOM 956 C VAL A 60 2.325 -31.081 8.292 1.00 0.00 C ATOM 957 O VAL A 60 2.968 -31.526 9.244 1.00 0.00 O ATOM 958 CB VAL A 60 2.229 -28.502 8.209 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.263 -28.478 9.743 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.012 -27.266 7.729 1.00 0.00 C ATOM 0 H VAL A 60 1.959 -29.097 5.845 1.00 0.00 H new ATOM 0 HA VAL A 60 3.899 -29.762 7.795 1.00 0.00 H new ATOM 0 HB VAL A 60 1.194 -28.480 7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.831 -27.544 10.102 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.687 -29.317 10.133 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.295 -28.556 10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.575 -26.367 8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.053 -27.351 8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.964 -27.204 6.642 1.00 0.00 H new ATOM 970 N LYS A 61 1.253 -31.730 7.801 1.00 0.00 N ATOM 971 CA LYS A 61 0.823 -33.014 8.368 1.00 0.00 C ATOM 972 C LYS A 61 1.940 -34.058 8.282 1.00 0.00 C ATOM 973 O LYS A 61 2.062 -34.888 9.182 1.00 0.00 O ATOM 974 CB LYS A 61 -0.434 -33.600 7.698 1.00 0.00 C ATOM 975 CG LYS A 61 -1.579 -32.617 7.424 1.00 0.00 C ATOM 976 CD LYS A 61 -2.907 -33.295 7.062 1.00 0.00 C ATOM 977 CE LYS A 61 -2.755 -34.307 5.914 1.00 0.00 C ATOM 978 NZ LYS A 61 -4.050 -34.604 5.261 1.00 0.00 N ATOM 0 H LYS A 61 0.680 -31.392 7.028 1.00 0.00 H new ATOM 0 HA LYS A 61 0.579 -32.792 9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.138 -34.053 6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.816 -34.402 8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.729 -31.994 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.288 -31.953 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.304 -33.804 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.635 -32.535 6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.058 -33.914 5.174 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.323 -35.231 6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.961 -35.469 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.781 -34.742 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.319 -33.810 4.645 1.00 0.00 H new ATOM 992 N ASN A 62 2.733 -34.041 7.203 1.00 0.00 N ATOM 993 CA ASN A 62 3.839 -34.977 7.027 1.00 0.00 C ATOM 994 C ASN A 62 4.967 -34.664 8.007 1.00 0.00 C ATOM 995 O ASN A 62 5.527 -35.578 8.613 1.00 0.00 O ATOM 996 CB ASN A 62 4.379 -34.940 5.589 1.00 0.00 C ATOM 997 CG ASN A 62 5.366 -36.081 5.348 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.972 -37.172 4.943 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.652 -35.878 5.579 1.00 0.00 N ATOM 0 H ASN A 62 2.623 -33.380 6.434 1.00 0.00 H new ATOM 0 HA ASN A 62 3.457 -35.978 7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.551 -35.014 4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.870 -33.984 5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.323 -36.629 5.421 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.973 -34.970 5.915 1.00 0.00 H new ATOM 1006 N GLY A 63 5.278 -33.375 8.162 1.00 0.00 N ATOM 1007 CA GLY A 63 6.421 -32.903 8.932 1.00 0.00 C ATOM 1008 C GLY A 63 7.746 -33.227 8.234 1.00 0.00 C ATOM 1009 O GLY A 63 7.754 -33.769 7.122 1.00 0.00 O ATOM 0 H GLY A 63 4.731 -32.621 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.341 -31.826 9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.409 -33.362 9.921 1.00 0.00 H new ATOM 1013 N SER A 64 8.872 -32.873 8.864 1.00 0.00 N ATOM 1014 CA SER A 64 10.194 -33.174 8.327 1.00 0.00 C ATOM 1015 C SER A 64 10.415 -34.697 8.251 1.00 0.00 C ATOM 1016 O SER A 64 9.763 -35.439 8.997 1.00 0.00 O ATOM 1017 CB SER A 64 11.266 -32.483 9.181 1.00 0.00 C ATOM 1018 OG SER A 64 11.201 -32.883 10.534 1.00 0.00 O ATOM 0 H SER A 64 8.888 -32.374 9.753 1.00 0.00 H new ATOM 0 HA SER A 64 10.269 -32.789 7.310 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.253 -32.714 8.781 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.141 -31.402 9.116 1.00 0.00 H new ATOM 0 HG SER A 64 12.096 -32.840 10.931 1.00 0.00 H new ATOM 1024 N PRO A 65 11.357 -35.190 7.424 1.00 0.00 N ATOM 1025 CA PRO A 65 11.662 -36.618 7.305 1.00 0.00 C ATOM 1026 C PRO A 65 11.950 -37.341 8.629 1.00 0.00 C ATOM 1027 O PRO A 65 11.744 -38.553 8.718 1.00 0.00 O ATOM 1028 CB PRO A 65 12.876 -36.701 6.372 1.00 0.00 C ATOM 1029 CG PRO A 65 12.738 -35.456 5.502 1.00 0.00 C ATOM 1030 CD PRO A 65 12.146 -34.429 6.463 1.00 0.00 C ATOM 0 HA PRO A 65 10.780 -37.132 6.922 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.812 -36.700 6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.862 -37.613 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.701 -35.131 5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.085 -35.632 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.932 -33.864 6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.525 -33.709 5.931 1.00 0.00 H new ATOM 1038 N PHE A 66 12.424 -36.617 9.649 1.00 0.00 N ATOM 1039 CA PHE A 66 12.809 -37.176 10.943 1.00 0.00 C ATOM 1040 C PHE A 66 11.721 -36.975 12.009 1.00 0.00 C ATOM 1041 O PHE A 66 11.856 -37.491 13.123 1.00 0.00 O ATOM 1042 CB PHE A 66 14.139 -36.542 11.385 1.00 0.00 C ATOM 1043 CG PHE A 66 15.242 -36.621 10.343 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.885 -37.848 10.087 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.604 -35.476 9.604 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.883 -37.929 9.098 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.600 -35.559 8.615 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.241 -36.786 8.362 1.00 0.00 C ATOM 0 H PHE A 66 12.552 -35.607 9.594 1.00 0.00 H new ATOM 0 HA PHE A 66 12.934 -38.253 10.832 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.965 -35.495 11.635 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.479 -37.035 12.296 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.612 -38.728 10.651 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.115 -34.533 9.798 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.375 -38.871 8.904 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.873 -34.681 8.049 1.00 0.00 H new ATOM 0 HZ PHE A 66 18.007 -36.849 7.603 1.00 0.00 H new ATOM 1058 N SER A 67 10.663 -36.217 11.709 1.00 0.00 N ATOM 1059 CA SER A 67 9.569 -35.987 12.636 1.00 0.00 C ATOM 1060 C SER A 67 8.674 -37.226 12.742 1.00 0.00 C ATOM 1061 O SER A 67 8.731 -38.139 11.910 1.00 0.00 O ATOM 1062 CB SER A 67 8.782 -34.742 12.207 1.00 0.00 C ATOM 1063 OG SER A 67 8.067 -34.933 11.006 1.00 0.00 O ATOM 0 H SER A 67 10.548 -35.747 10.811 1.00 0.00 H new ATOM 0 HA SER A 67 9.972 -35.805 13.632 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.085 -34.468 12.999 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.471 -33.906 12.085 1.00 0.00 H new ATOM 0 HG SER A 67 8.639 -35.389 10.354 1.00 0.00 H new ATOM 1069 N LYS A 68 7.798 -37.218 13.745 1.00 0.00 N ATOM 1070 CA LYS A 68 6.689 -38.151 13.919 1.00 0.00 C ATOM 1071 C LYS A 68 5.519 -37.306 14.406 1.00 0.00 C ATOM 1072 O LYS A 68 5.275 -37.233 15.610 1.00 0.00 O ATOM 1073 CB LYS A 68 7.035 -39.287 14.910 1.00 0.00 C ATOM 1074 CG LYS A 68 8.159 -40.245 14.471 1.00 0.00 C ATOM 1075 CD LYS A 68 7.836 -41.114 13.243 1.00 0.00 C ATOM 1076 CE LYS A 68 6.677 -42.087 13.507 1.00 0.00 C ATOM 1077 NZ LYS A 68 6.416 -42.976 12.348 1.00 0.00 N ATOM 0 H LYS A 68 7.846 -36.527 14.494 1.00 0.00 H new ATOM 0 HA LYS A 68 6.450 -38.661 12.986 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.318 -38.838 15.862 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.134 -39.873 15.089 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.052 -39.658 14.256 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.403 -40.901 15.307 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.582 -40.470 12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.723 -41.678 12.956 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.906 -42.693 14.383 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.775 -41.521 13.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.626 -43.615 12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.171 -42.400 11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.267 -43.537 12.142 1.00 0.00 H new ATOM 1091 N VAL A 69 4.867 -36.581 13.497 1.00 0.00 N ATOM 1092 CA VAL A 69 3.658 -35.819 13.809 1.00 0.00 C ATOM 1093 C VAL A 69 2.597 -36.805 14.322 1.00 0.00 C ATOM 1094 O VAL A 69 2.453 -37.900 13.767 1.00 0.00 O ATOM 1095 CB VAL A 69 3.184 -35.064 12.543 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.858 -34.321 12.766 1.00 0.00 C ATOM 1097 CG2 VAL A 69 4.234 -34.046 12.064 1.00 0.00 C ATOM 0 H VAL A 69 5.162 -36.505 12.524 1.00 0.00 H new ATOM 0 HA VAL A 69 3.846 -35.072 14.580 1.00 0.00 H new ATOM 0 HB VAL A 69 3.038 -35.831 11.783 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.570 -33.808 11.849 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.082 -35.036 13.041 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.980 -33.591 13.567 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.866 -33.536 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.418 -33.315 12.851 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.163 -34.565 11.827 1.00 0.00 H new ATOM 1107 N THR A 70 1.835 -36.412 15.343 1.00 0.00 N ATOM 1108 CA THR A 70 0.748 -37.201 15.912 1.00 0.00 C ATOM 1109 C THR A 70 -0.579 -36.429 15.893 1.00 0.00 C ATOM 1110 O THR A 70 -1.641 -37.058 15.909 1.00 0.00 O ATOM 1111 CB THR A 70 1.123 -37.646 17.338 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.438 -36.523 18.138 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.337 -38.579 17.340 1.00 0.00 C ATOM 0 H THR A 70 1.962 -35.513 15.807 1.00 0.00 H new ATOM 0 HA THR A 70 0.602 -38.089 15.296 1.00 0.00 H new ATOM 0 HB THR A 70 0.259 -38.176 17.740 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.673 -36.821 19.042 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.570 -38.871 18.364 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.113 -39.469 16.751 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.193 -38.063 16.906 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.551 -35.094 15.807 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.746 -34.253 15.742 1.00 0.00 C ATOM 1123 C ASP A 71 -1.407 -32.918 15.078 1.00 0.00 C ATOM 1124 O ASP A 71 -0.255 -32.478 15.115 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.300 -34.012 17.156 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.565 -33.140 17.134 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.530 -33.498 16.423 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.601 -32.104 17.834 1.00 0.00 O ATOM 0 H ASP A 71 0.319 -34.561 15.780 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.506 -34.762 15.149 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.527 -34.969 17.625 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.537 -33.530 17.768 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.411 -32.271 14.483 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.312 -30.976 13.825 1.00 0.00 C ATOM 1135 C ILE A 72 -3.670 -30.271 13.983 1.00 0.00 C ATOM 1136 O ILE A 72 -4.712 -30.934 13.973 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.876 -31.170 12.347 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.592 -29.808 11.671 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.869 -32.029 11.533 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.138 -29.913 10.210 1.00 0.00 C ATOM 0 H ILE A 72 -3.355 -32.656 14.448 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.549 -30.343 14.277 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.944 -31.736 12.363 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.494 -29.198 11.716 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.824 -29.285 12.241 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.509 -32.128 10.509 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.952 -33.017 11.986 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.847 -31.549 11.529 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.960 -28.914 9.812 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.218 -30.494 10.156 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.913 -30.405 9.623 1.00 0.00 H new ATOM 1152 N SER A 73 -3.669 -28.943 14.119 1.00 0.00 N ATOM 1153 CA SER A 73 -4.862 -28.101 14.211 1.00 0.00 C ATOM 1154 C SER A 73 -4.623 -26.805 13.430 1.00 0.00 C ATOM 1155 O SER A 73 -3.470 -26.412 13.233 1.00 0.00 O ATOM 1156 CB SER A 73 -5.168 -27.779 15.684 1.00 0.00 C ATOM 1157 OG SER A 73 -5.373 -28.950 16.459 1.00 0.00 O ATOM 0 H SER A 73 -2.804 -28.405 14.170 1.00 0.00 H new ATOM 0 HA SER A 73 -5.715 -28.631 13.786 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.343 -27.205 16.107 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.056 -27.149 15.739 1.00 0.00 H new ATOM 0 HG SER A 73 -5.563 -28.699 17.387 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.695 -26.130 13.004 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.648 -24.922 12.180 1.00 0.00 C ATOM 1165 C VAL A 74 -6.679 -23.918 12.717 1.00 0.00 C ATOM 1166 O VAL A 74 -7.760 -24.307 13.170 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.911 -25.274 10.692 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.768 -24.053 9.767 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.968 -26.372 10.171 1.00 0.00 C ATOM 0 H VAL A 74 -6.647 -26.419 13.231 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.658 -24.469 12.232 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.939 -25.634 10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.962 -24.352 8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.484 -23.286 10.063 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.757 -23.654 9.845 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.195 -26.580 9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.935 -26.036 10.259 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.106 -27.279 10.760 1.00 0.00 H new ATOM 1179 N THR A 75 -6.346 -22.631 12.628 1.00 0.00 N ATOM 1180 CA THR A 75 -7.202 -21.475 12.882 1.00 0.00 C ATOM 1181 C THR A 75 -6.917 -20.473 11.743 1.00 0.00 C ATOM 1182 O THR A 75 -5.929 -20.631 11.021 1.00 0.00 O ATOM 1183 CB THR A 75 -6.892 -20.901 14.286 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.744 -21.928 15.254 1.00 0.00 O ATOM 1185 CG2 THR A 75 -7.981 -19.954 14.806 1.00 0.00 C ATOM 0 H THR A 75 -5.404 -22.350 12.357 1.00 0.00 H new ATOM 0 HA THR A 75 -8.263 -21.725 12.887 1.00 0.00 H new ATOM 0 HB THR A 75 -5.961 -20.350 14.154 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.548 -21.529 16.127 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.703 -19.587 15.794 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.087 -19.112 14.123 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.928 -20.490 14.872 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.745 -19.445 11.547 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.614 -18.513 10.426 1.00 0.00 C ATOM 1195 C GLU A 76 -7.995 -17.088 10.840 1.00 0.00 C ATOM 1196 O GLU A 76 -8.665 -16.887 11.859 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.451 -19.011 9.231 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.956 -19.060 9.528 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.775 -19.491 8.303 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.941 -20.710 8.065 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -11.288 -18.596 7.594 1.00 0.00 O ATOM 0 H GLU A 76 -8.529 -19.235 12.165 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.569 -18.478 10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.277 -18.358 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.110 -20.007 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.140 -19.754 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.291 -18.077 9.860 1.00 0.00 H new ATOM 1208 N SER A 77 -7.594 -16.118 10.016 1.00 0.00 N ATOM 1209 CA SER A 77 -7.831 -14.686 10.186 1.00 0.00 C ATOM 1210 C SER A 77 -7.958 -14.052 8.798 1.00 0.00 C ATOM 1211 O SER A 77 -7.314 -14.501 7.848 1.00 0.00 O ATOM 1212 CB SER A 77 -6.652 -14.033 10.929 1.00 0.00 C ATOM 1213 OG SER A 77 -6.393 -14.653 12.181 1.00 0.00 O ATOM 0 H SER A 77 -7.067 -16.323 9.167 1.00 0.00 H new ATOM 0 HA SER A 77 -8.741 -14.534 10.767 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.758 -14.088 10.307 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.866 -12.976 11.087 1.00 0.00 H new ATOM 0 HG SER A 77 -5.636 -14.208 12.616 1.00 0.00 H new ATOM 1219 N ARG A 78 -8.790 -13.013 8.664 1.00 0.00 N ATOM 1220 CA ARG A 78 -8.876 -12.234 7.423 1.00 0.00 C ATOM 1221 C ARG A 78 -7.753 -11.199 7.356 1.00 0.00 C ATOM 1222 O ARG A 78 -7.255 -10.920 6.266 1.00 0.00 O ATOM 1223 CB ARG A 78 -10.252 -11.545 7.310 1.00 0.00 C ATOM 1224 CG ARG A 78 -11.440 -12.522 7.232 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.467 -13.321 5.920 1.00 0.00 C ATOM 1226 NE ARG A 78 -12.408 -14.455 5.984 1.00 0.00 N ATOM 1227 CZ ARG A 78 -12.133 -15.661 6.499 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -10.978 -15.910 7.102 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -13.000 -16.660 6.426 1.00 0.00 N ATOM 0 H ARG A 78 -9.416 -12.691 9.403 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.762 -12.918 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.390 -10.890 8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.257 -10.912 6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.392 -13.214 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.371 -11.964 7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.749 -12.661 5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.466 -13.692 5.701 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.344 -14.309 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.275 -15.175 7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.793 -16.837 7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.901 -16.521 5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.766 -17.569 6.826 1.00 0.00 H new ATOM 1243 N SER A 79 -7.348 -10.637 8.497 1.00 0.00 N ATOM 1244 CA SER A 79 -6.206 -9.747 8.603 1.00 0.00 C ATOM 1245 C SER A 79 -4.921 -10.517 8.286 1.00 0.00 C ATOM 1246 O SER A 79 -4.858 -11.735 8.462 1.00 0.00 O ATOM 1247 CB SER A 79 -6.152 -9.170 10.025 1.00 0.00 C ATOM 1248 OG SER A 79 -7.423 -8.661 10.414 1.00 0.00 O ATOM 0 H SER A 79 -7.819 -10.796 9.388 1.00 0.00 H new ATOM 0 HA SER A 79 -6.303 -8.929 7.889 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.836 -9.944 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.408 -8.375 10.071 1.00 0.00 H new ATOM 0 HG SER A 79 -7.366 -8.300 11.323 1.00 0.00 H new ATOM 1254 N LEU A 80 -3.888 -9.793 7.859 1.00 0.00 N ATOM 1255 CA LEU A 80 -2.528 -10.289 7.659 1.00 0.00 C ATOM 1256 C LEU A 80 -1.545 -9.121 7.825 1.00 0.00 C ATOM 1257 O LEU A 80 -1.977 -7.965 7.826 1.00 0.00 O ATOM 1258 CB LEU A 80 -2.383 -11.005 6.302 1.00 0.00 C ATOM 1259 CG LEU A 80 -2.613 -10.155 5.035 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -1.639 -10.582 3.932 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.048 -10.321 4.510 1.00 0.00 C ATOM 0 H LEU A 80 -3.980 -8.803 7.633 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.295 -11.042 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.381 -11.430 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.084 -11.839 6.282 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.447 -9.111 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.809 -9.976 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.615 -10.441 4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.799 -11.633 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.182 -9.711 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.227 -11.368 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.755 -10.002 5.276 1.00 0.00 H new ATOM 1273 N GLU A 81 -0.243 -9.390 7.996 1.00 0.00 N ATOM 1274 CA GLU A 81 0.739 -8.328 8.242 1.00 0.00 C ATOM 1275 C GLU A 81 1.152 -7.649 6.931 1.00 0.00 C ATOM 1276 O GLU A 81 1.380 -6.438 6.921 1.00 0.00 O ATOM 1277 CB GLU A 81 1.971 -8.817 9.039 1.00 0.00 C ATOM 1278 CG GLU A 81 2.757 -9.968 8.394 1.00 0.00 C ATOM 1279 CD GLU A 81 4.169 -10.155 8.966 1.00 0.00 C ATOM 1280 OE1 GLU A 81 5.080 -9.378 8.596 1.00 0.00 O ATOM 1281 OE2 GLU A 81 4.414 -11.119 9.726 1.00 0.00 O ATOM 0 H GLU A 81 0.152 -10.330 7.968 1.00 0.00 H new ATOM 0 HA GLU A 81 0.247 -7.587 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.647 -7.974 9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.640 -9.134 10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.198 -10.894 8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.831 -9.788 7.322 1.00 0.00 H new ATOM 1288 N GLY A 82 1.222 -8.407 5.832 1.00 0.00 N ATOM 1289 CA GLY A 82 1.632 -7.901 4.524 1.00 0.00 C ATOM 1290 C GLY A 82 2.514 -8.866 3.726 1.00 0.00 C ATOM 1291 O GLY A 82 3.232 -8.411 2.834 1.00 0.00 O ATOM 0 H GLY A 82 0.992 -9.401 5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.741 -7.673 3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.171 -6.964 4.662 1.00 0.00 H new ATOM 1295 N HIS A 83 2.475 -10.168 4.034 1.00 0.00 N ATOM 1296 CA HIS A 83 3.170 -11.253 3.346 1.00 0.00 C ATOM 1297 C HIS A 83 4.657 -10.968 3.058 1.00 0.00 C ATOM 1298 O HIS A 83 5.161 -11.241 1.964 1.00 0.00 O ATOM 1299 CB HIS A 83 2.338 -11.761 2.152 1.00 0.00 C ATOM 1300 CG HIS A 83 2.117 -10.761 1.042 1.00 0.00 C ATOM 1301 ND1 HIS A 83 3.047 -10.362 0.110 1.00 0.00 N ATOM 1302 CD2 HIS A 83 0.963 -10.074 0.775 1.00 0.00 C ATOM 1303 CE1 HIS A 83 2.472 -9.455 -0.696 1.00 0.00 C ATOM 1304 NE2 HIS A 83 1.190 -9.247 -0.334 1.00 0.00 N ATOM 0 H HIS A 83 1.922 -10.509 4.820 1.00 0.00 H new ATOM 0 HA HIS A 83 3.241 -12.094 4.036 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.832 -12.638 1.734 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.366 -12.088 2.522 1.00 0.00 H new ATOM 0 HD1 HIS A 83 4.008 -10.697 0.043 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.037 -10.155 1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.967 -8.961 -1.519 1.00 0.00 H new ATOM 1312 N HIS A 84 5.361 -10.391 4.037 1.00 0.00 N ATOM 1313 CA HIS A 84 6.700 -9.845 3.840 1.00 0.00 C ATOM 1314 C HIS A 84 7.778 -10.927 3.645 1.00 0.00 C ATOM 1315 O HIS A 84 8.578 -10.825 2.713 1.00 0.00 O ATOM 1316 CB HIS A 84 7.060 -8.952 5.037 1.00 0.00 C ATOM 1317 CG HIS A 84 6.085 -7.827 5.290 1.00 0.00 C ATOM 1318 ND1 HIS A 84 5.300 -7.662 6.411 1.00 0.00 N ATOM 1319 CD2 HIS A 84 5.846 -6.756 4.471 1.00 0.00 C ATOM 1320 CE1 HIS A 84 4.617 -6.515 6.274 1.00 0.00 C ATOM 1321 NE2 HIS A 84 4.912 -5.921 5.102 1.00 0.00 N ATOM 0 H HIS A 84 5.013 -10.291 4.991 1.00 0.00 H new ATOM 0 HA HIS A 84 6.680 -9.265 2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.122 -9.572 5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.051 -8.528 4.874 1.00 0.00 H new ATOM 0 HD1 HIS A 84 5.247 -8.300 7.205 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.299 -6.584 3.506 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.925 -6.122 7.004 1.00 0.00 H new ATOM 1329 N ARG A 85 7.838 -11.937 4.525 1.00 0.00 N ATOM 1330 CA ARG A 85 8.911 -12.943 4.595 1.00 0.00 C ATOM 1331 C ARG A 85 8.435 -14.138 5.418 1.00 0.00 C ATOM 1332 O ARG A 85 7.351 -14.057 5.994 1.00 0.00 O ATOM 1333 CB ARG A 85 10.222 -12.319 5.142 1.00 0.00 C ATOM 1334 CG ARG A 85 10.156 -11.325 6.326 1.00 0.00 C ATOM 1335 CD ARG A 85 10.097 -11.918 7.745 1.00 0.00 C ATOM 1336 NE ARG A 85 8.799 -12.505 8.116 1.00 0.00 N ATOM 1337 CZ ARG A 85 7.673 -11.863 8.452 1.00 0.00 C ATOM 1338 NH1 ARG A 85 7.591 -10.536 8.422 1.00 0.00 N ATOM 1339 NH2 ARG A 85 6.617 -12.566 8.830 1.00 0.00 N ATOM 0 H ARG A 85 7.117 -12.082 5.232 1.00 0.00 H new ATOM 0 HA ARG A 85 9.143 -13.303 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.875 -13.139 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.711 -11.808 4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.029 -10.674 6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.278 -10.694 6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.866 -12.685 7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.343 -11.134 8.461 1.00 0.00 H new ATOM 0 HE ARG A 85 8.752 -13.524 8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.399 -9.981 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.721 -10.073 8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.667 -13.584 8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.753 -12.089 9.089 1.00 0.00 H new ATOM 1353 N PHE A 86 9.206 -15.228 5.507 1.00 0.00 N ATOM 1354 CA PHE A 86 8.847 -16.407 6.297 1.00 0.00 C ATOM 1355 C PHE A 86 9.944 -16.691 7.324 1.00 0.00 C ATOM 1356 O PHE A 86 10.995 -17.241 6.978 1.00 0.00 O ATOM 1357 CB PHE A 86 8.544 -17.623 5.410 1.00 0.00 C ATOM 1358 CG PHE A 86 7.825 -18.700 6.202 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.544 -19.577 7.037 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.419 -18.753 6.193 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.858 -20.483 7.861 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.732 -19.630 7.048 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.454 -20.494 7.886 1.00 0.00 C ATOM 0 H PHE A 86 10.103 -15.315 5.029 1.00 0.00 H new ATOM 0 HA PHE A 86 7.923 -16.199 6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.930 -17.317 4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 86 9.473 -18.023 5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.624 -19.552 7.043 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.863 -18.114 5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.412 -21.174 8.478 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.652 -19.640 7.061 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.930 -21.167 8.549 1.00 0.00 H new ATOM 1373 N SER A 87 9.729 -16.285 8.576 1.00 0.00 N ATOM 1374 CA SER A 87 10.748 -16.349 9.615 1.00 0.00 C ATOM 1375 C SER A 87 10.822 -17.753 10.216 1.00 0.00 C ATOM 1376 O SER A 87 9.800 -18.338 10.576 1.00 0.00 O ATOM 1377 CB SER A 87 10.428 -15.348 10.738 1.00 0.00 C ATOM 1378 OG SER A 87 9.712 -14.222 10.251 1.00 0.00 O ATOM 0 H SER A 87 8.839 -15.902 8.895 1.00 0.00 H new ATOM 0 HA SER A 87 11.706 -16.100 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.843 -15.844 11.512 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.356 -15.015 11.204 1.00 0.00 H new ATOM 0 HG SER A 87 9.524 -13.608 10.992 1.00 0.00 H new ATOM 1384 N ILE A 88 12.031 -18.260 10.432 1.00 0.00 N ATOM 1385 CA ILE A 88 12.270 -19.262 11.464 1.00 0.00 C ATOM 1386 C ILE A 88 12.480 -18.481 12.762 1.00 0.00 C ATOM 1387 O ILE A 88 13.326 -17.586 12.817 1.00 0.00 O ATOM 1388 CB ILE A 88 13.489 -20.124 11.071 1.00 0.00 C ATOM 1389 CG1 ILE A 88 13.099 -21.019 9.873 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.992 -20.971 12.254 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.319 -21.552 9.125 1.00 0.00 C ATOM 0 H ILE A 88 12.862 -17.993 9.905 1.00 0.00 H new ATOM 0 HA ILE A 88 11.440 -19.958 11.588 1.00 0.00 H new ATOM 0 HB ILE A 88 14.311 -19.468 10.786 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.499 -21.857 10.229 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.474 -20.449 9.185 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.850 -21.564 11.938 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.286 -20.314 13.073 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.196 -21.636 12.590 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.992 -22.175 8.293 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.906 -20.716 8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.931 -22.146 9.804 1.00 0.00 H new ATOM 1403 N VAL A 89 11.721 -18.814 13.805 1.00 0.00 N ATOM 1404 CA VAL A 89 11.974 -18.344 15.157 1.00 0.00 C ATOM 1405 C VAL A 89 12.949 -19.352 15.779 1.00 0.00 C ATOM 1406 O VAL A 89 12.655 -20.547 15.906 1.00 0.00 O ATOM 1407 CB VAL A 89 10.645 -18.196 15.923 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.862 -17.736 17.372 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.704 -17.192 15.231 1.00 0.00 C ATOM 0 H VAL A 89 10.907 -19.424 13.730 1.00 0.00 H new ATOM 0 HA VAL A 89 12.424 -17.352 15.188 1.00 0.00 H new ATOM 0 HB VAL A 89 10.190 -19.187 15.926 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.898 -17.645 17.873 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.477 -18.467 17.897 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.365 -16.769 17.375 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.776 -17.112 15.798 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.185 -16.215 15.184 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.483 -17.537 14.221 1.00 0.00 H new ATOM 1419 N TYR A 90 14.141 -18.873 16.132 1.00 0.00 N ATOM 1420 CA TYR A 90 15.243 -19.684 16.636 1.00 0.00 C ATOM 1421 C TYR A 90 15.102 -19.911 18.150 1.00 0.00 C ATOM 1422 O TYR A 90 16.025 -19.628 18.919 1.00 0.00 O ATOM 1423 CB TYR A 90 16.583 -19.049 16.225 1.00 0.00 C ATOM 1424 CG TYR A 90 16.798 -19.010 14.721 1.00 0.00 C ATOM 1425 CD1 TYR A 90 17.190 -20.180 14.040 1.00 0.00 C ATOM 1426 CD2 TYR A 90 16.587 -17.819 13.998 1.00 0.00 C ATOM 1427 CE1 TYR A 90 17.363 -20.164 12.644 1.00 0.00 C ATOM 1428 CE2 TYR A 90 16.757 -17.796 12.602 1.00 0.00 C ATOM 1429 CZ TYR A 90 17.142 -18.972 11.916 1.00 0.00 C ATOM 1430 OH TYR A 90 17.305 -18.970 10.563 1.00 0.00 O ATOM 0 H TYR A 90 14.371 -17.881 16.073 1.00 0.00 H new ATOM 0 HA TYR A 90 15.215 -20.677 16.186 1.00 0.00 H new ATOM 0 HB2 TYR A 90 16.630 -18.033 16.618 1.00 0.00 H new ATOM 0 HB3 TYR A 90 17.398 -19.607 16.686 1.00 0.00 H new ATOM 0 HD1 TYR A 90 17.358 -21.093 14.592 1.00 0.00 H new ATOM 0 HD2 TYR A 90 16.293 -16.919 14.518 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.665 -21.063 12.128 1.00 0.00 H new ATOM 0 HE2 TYR A 90 16.594 -16.880 12.053 1.00 0.00 H new ATOM 0 HH TYR A 90 17.114 -18.075 10.212 1.00 0.00 H new ATOM 1440 N SER A 91 13.930 -20.390 18.588 1.00 0.00 N ATOM 1441 CA SER A 91 13.729 -20.939 19.924 1.00 0.00 C ATOM 1442 C SER A 91 14.847 -21.941 20.238 1.00 0.00 C ATOM 1443 O SER A 91 15.153 -22.768 19.349 1.00 0.00 O ATOM 1444 CB SER A 91 12.359 -21.624 20.035 1.00 0.00 C ATOM 1445 OG SER A 91 11.355 -21.020 19.229 1.00 0.00 O ATOM 1446 OXT SER A 91 15.396 -21.904 21.358 1.00 0.00 O ATOM 0 H SER A 91 13.088 -20.405 18.013 1.00 0.00 H new ATOM 0 HA SER A 91 13.758 -20.123 20.646 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.461 -22.671 19.750 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.037 -21.607 21.076 1.00 0.00 H new ATOM 0 HG SER A 91 10.492 -21.451 19.403 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 14.006 -28.096 14.865 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.421 -29.397 14.518 1.00 0.00 O HETATM 1455 O2 PO4 A 92 13.374 -27.024 14.081 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.808 -27.839 16.300 1.00 0.00 O HETATM 1457 O4 PO4 A 92 15.453 -28.111 14.590 1.00 0.00 O