USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 822 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD NoAdj-H: B 40 HIS HD1 : B 40 HIS ND1 : B 150 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl -137:sc= 0 (180deg=-0.00467) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 34:sc= -2.8! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0275 X(o=-0.027,f=-0.063) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 15 MET CE :methyl 162:sc= -0.166 (180deg=-0.194) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00565) USER MOD Single : A 18 TYR OH : rot -142:sc= 0.17 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0.823 (180deg=0.809) USER MOD Single : A 46 THR OG1 : rot 75:sc= 0.934 USER MOD Single : A 48 ASN : amide:sc=-0.00599 K(o=-0.006,f=-5!) USER MOD Single : B 1 MET CE :methyl 178:sc= 0 (180deg=-0.00913) USER MOD Single : B 1 MET N :NH3+ -153:sc= 0.98 (180deg=0.473) USER MOD Single : B 3 TYR OH : rot -60:sc= -4.47! USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 13 GLN : amide:sc= -0.0946 X(o=-0.095,f=-0.11) USER MOD Single : B 15 MET CE :methyl 162:sc= -0.0104 (180deg=-0.219) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 30:sc= -1.27 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ -167:sc= 2.34 (180deg=2.15) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 ASN : amide:sc= -0.0349 K(o=-0.035,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.184 -17.727 -4.052 1.00 0.00 N ATOM 2 CA MET A 1 -6.323 -18.909 -4.312 1.00 0.00 C ATOM 3 C MET A 1 -4.921 -18.471 -4.750 1.00 0.00 C ATOM 4 O MET A 1 -4.758 -17.985 -5.866 1.00 0.00 O ATOM 5 CB MET A 1 -6.961 -19.836 -5.370 1.00 0.00 C ATOM 6 CG MET A 1 -6.187 -21.152 -5.555 1.00 0.00 C ATOM 7 SD MET A 1 -6.649 -22.104 -7.031 1.00 0.00 S ATOM 8 CE MET A 1 -5.772 -21.147 -8.303 1.00 0.00 C ATOM 0 H1 MET A 1 -8.129 -18.044 -3.757 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.761 -17.149 -3.298 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.265 -17.159 -4.919 1.00 0.00 H new ATOM 0 HA MET A 1 -6.232 -19.471 -3.383 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.987 -20.061 -5.078 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.009 -19.311 -6.324 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.122 -20.927 -5.603 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.342 -21.775 -4.674 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.418 -21.018 -9.171 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.503 -20.170 -7.902 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.868 -21.679 -8.600 1.00 0.00 H new ATOM 20 N ASP A 2 -3.912 -18.660 -3.887 1.00 0.00 N ATOM 21 CA ASP A 2 -2.464 -18.572 -4.188 1.00 0.00 C ATOM 22 C ASP A 2 -2.027 -17.395 -5.100 1.00 0.00 C ATOM 23 O ASP A 2 -1.250 -17.568 -6.043 1.00 0.00 O ATOM 24 CB ASP A 2 -1.969 -19.945 -4.689 1.00 0.00 C ATOM 25 CG ASP A 2 -2.124 -21.040 -3.621 1.00 0.00 C ATOM 26 OD1 ASP A 2 -1.289 -21.093 -2.686 1.00 0.00 O ATOM 27 OD2 ASP A 2 -3.080 -21.848 -3.707 1.00 0.00 O ATOM 0 H ASP A 2 -4.086 -18.890 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.968 -18.320 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.527 -20.228 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.921 -19.868 -4.980 1.00 0.00 H new ATOM 32 N TYR A 3 -2.543 -16.188 -4.829 1.00 0.00 N ATOM 33 CA TYR A 3 -2.293 -14.981 -5.632 1.00 0.00 C ATOM 34 C TYR A 3 -2.211 -13.711 -4.763 1.00 0.00 C ATOM 35 O TYR A 3 -1.120 -13.177 -4.576 1.00 0.00 O ATOM 36 CB TYR A 3 -3.368 -14.892 -6.739 1.00 0.00 C ATOM 37 CG TYR A 3 -3.461 -13.554 -7.448 1.00 0.00 C ATOM 38 CD1 TYR A 3 -2.423 -13.110 -8.292 1.00 0.00 C ATOM 39 CD2 TYR A 3 -4.593 -12.742 -7.247 1.00 0.00 C ATOM 40 CE1 TYR A 3 -2.503 -11.839 -8.897 1.00 0.00 C ATOM 41 CE2 TYR A 3 -4.648 -11.449 -7.793 1.00 0.00 C ATOM 42 CZ TYR A 3 -3.595 -10.988 -8.610 1.00 0.00 C ATOM 43 OH TYR A 3 -3.667 -9.739 -9.137 1.00 0.00 O ATOM 0 H TYR A 3 -3.157 -16.019 -4.032 1.00 0.00 H new ATOM 0 HA TYR A 3 -1.314 -15.055 -6.106 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.166 -15.664 -7.481 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.339 -15.119 -6.299 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -1.567 -13.743 -8.475 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.425 -13.116 -6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.731 -11.516 -9.579 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.494 -10.810 -7.588 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.271 -9.739 -10.033 1.00 0.00 H new ATOM 53 N LEU A 4 -3.326 -13.258 -4.169 1.00 0.00 N ATOM 54 CA LEU A 4 -3.471 -11.954 -3.504 1.00 0.00 C ATOM 55 C LEU A 4 -2.452 -11.686 -2.393 1.00 0.00 C ATOM 56 O LEU A 4 -2.071 -10.543 -2.151 1.00 0.00 O ATOM 57 CB LEU A 4 -4.869 -11.840 -2.868 1.00 0.00 C ATOM 58 CG LEU A 4 -6.047 -12.373 -3.690 1.00 0.00 C ATOM 59 CD1 LEU A 4 -6.415 -13.821 -3.348 1.00 0.00 C ATOM 60 CD2 LEU A 4 -7.294 -11.520 -3.488 1.00 0.00 C ATOM 0 H LEU A 4 -4.183 -13.810 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.306 -11.221 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.853 -12.369 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.057 -10.789 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.711 -12.330 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.256 -14.138 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.560 -14.469 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.691 -13.887 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.112 -11.924 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.574 -11.529 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.089 -10.496 -3.800 1.00 0.00 H new ATOM 72 N ARG A 5 -2.020 -12.749 -1.714 1.00 0.00 N ATOM 73 CA ARG A 5 -0.994 -12.703 -0.655 1.00 0.00 C ATOM 74 C ARG A 5 0.309 -12.042 -1.105 1.00 0.00 C ATOM 75 O ARG A 5 0.874 -11.258 -0.346 1.00 0.00 O ATOM 76 CB ARG A 5 -0.704 -14.120 -0.112 1.00 0.00 C ATOM 77 CG ARG A 5 -1.417 -14.463 1.203 1.00 0.00 C ATOM 78 CD ARG A 5 -2.942 -14.600 1.100 1.00 0.00 C ATOM 79 NE ARG A 5 -3.482 -15.136 2.368 1.00 0.00 N ATOM 80 CZ ARG A 5 -4.652 -15.715 2.567 1.00 0.00 C ATOM 81 NH1 ARG A 5 -5.583 -15.746 1.657 1.00 0.00 N ATOM 82 NH2 ARG A 5 -4.921 -16.271 3.713 1.00 0.00 N ATOM 0 H ARG A 5 -2.377 -13.689 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.408 -12.082 0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.994 -14.850 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.371 -14.224 0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.009 -15.398 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.186 -13.690 1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.390 -13.630 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.202 -15.262 0.274 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.879 -15.048 3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.422 -15.312 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.473 -16.204 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.227 -16.260 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.826 -16.717 3.863 1.00 0.00 H new ATOM 96 N GLU A 6 0.778 -12.293 -2.328 1.00 0.00 N ATOM 97 CA GLU A 6 1.949 -11.634 -2.880 1.00 0.00 C ATOM 98 C GLU A 6 1.713 -10.132 -3.087 1.00 0.00 C ATOM 99 O GLU A 6 2.619 -9.336 -2.859 1.00 0.00 O ATOM 100 CB GLU A 6 2.277 -12.327 -4.204 1.00 0.00 C ATOM 101 CG GLU A 6 3.079 -13.618 -3.998 1.00 0.00 C ATOM 102 CD GLU A 6 3.536 -14.210 -5.346 1.00 0.00 C ATOM 103 OE1 GLU A 6 4.613 -13.811 -5.853 1.00 0.00 O ATOM 104 OE2 GLU A 6 2.835 -15.091 -5.899 1.00 0.00 O ATOM 0 H GLU A 6 0.348 -12.965 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 6 2.785 -11.715 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.351 -12.557 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.844 -11.646 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.949 -13.413 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.469 -14.347 -3.465 1.00 0.00 H new ATOM 111 N LEU A 7 0.491 -9.730 -3.451 1.00 0.00 N ATOM 112 CA LEU A 7 0.105 -8.327 -3.625 1.00 0.00 C ATOM 113 C LEU A 7 0.008 -7.591 -2.296 1.00 0.00 C ATOM 114 O LEU A 7 0.556 -6.505 -2.155 1.00 0.00 O ATOM 115 CB LEU A 7 -1.191 -8.230 -4.439 1.00 0.00 C ATOM 116 CG LEU A 7 -0.931 -8.715 -5.871 1.00 0.00 C ATOM 117 CD1 LEU A 7 -1.401 -10.145 -6.109 1.00 0.00 C ATOM 118 CD2 LEU A 7 -1.603 -7.824 -6.907 1.00 0.00 C ATOM 0 H LEU A 7 -0.271 -10.383 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 7 0.893 -7.826 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.971 -8.834 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.549 -7.201 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 7 0.152 -8.671 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.190 -10.431 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.876 -10.818 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.474 -10.210 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.392 -8.205 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.680 -7.820 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.218 -6.808 -6.817 1.00 0.00 H new ATOM 130 N TYR A 8 -0.567 -8.225 -1.284 1.00 0.00 N ATOM 131 CA TYR A 8 -0.432 -7.813 0.119 1.00 0.00 C ATOM 132 C TYR A 8 1.032 -7.565 0.519 1.00 0.00 C ATOM 133 O TYR A 8 1.376 -6.479 0.991 1.00 0.00 O ATOM 134 CB TYR A 8 -1.092 -8.893 0.993 1.00 0.00 C ATOM 135 CG TYR A 8 -1.920 -8.414 2.175 1.00 0.00 C ATOM 136 CD1 TYR A 8 -1.506 -7.325 2.972 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.141 -9.060 2.462 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.322 -6.869 4.028 1.00 0.00 C ATOM 139 CE2 TYR A 8 -3.958 -8.606 3.515 1.00 0.00 C ATOM 140 CZ TYR A 8 -3.553 -7.505 4.299 1.00 0.00 C ATOM 141 OH TYR A 8 -4.350 -7.069 5.313 1.00 0.00 O ATOM 0 H TYR A 8 -1.150 -9.053 -1.409 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.934 -6.857 0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.733 -9.500 0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.308 -9.548 1.372 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.562 -6.840 2.773 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.451 -9.908 1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.004 -6.031 4.631 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.895 -9.101 3.723 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.158 -7.622 5.355 1.00 0.00 H new ATOM 151 N LYS A 9 1.911 -8.533 0.235 1.00 0.00 N ATOM 152 CA LYS A 9 3.377 -8.453 0.428 1.00 0.00 C ATOM 153 C LYS A 9 4.121 -7.494 -0.532 1.00 0.00 C ATOM 154 O LYS A 9 5.350 -7.424 -0.491 1.00 0.00 O ATOM 155 CB LYS A 9 3.981 -9.878 0.430 1.00 0.00 C ATOM 156 CG LYS A 9 4.073 -10.507 1.834 1.00 0.00 C ATOM 157 CD LYS A 9 2.721 -10.783 2.515 1.00 0.00 C ATOM 158 CE LYS A 9 2.880 -11.309 3.951 1.00 0.00 C ATOM 159 NZ LYS A 9 3.494 -12.664 4.005 1.00 0.00 N ATOM 0 H LYS A 9 1.617 -9.430 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 9 3.532 -7.991 1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.375 -10.521 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.978 -9.842 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.623 -11.445 1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.656 -9.845 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.132 -9.866 2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.163 -11.510 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.495 -10.613 4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.903 -11.339 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.577 -12.968 4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.896 -13.337 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.439 -12.634 3.572 1.00 0.00 H new ATOM 173 N LEU A 10 3.402 -6.698 -1.328 1.00 0.00 N ATOM 174 CA LEU A 10 3.924 -5.578 -2.129 1.00 0.00 C ATOM 175 C LEU A 10 3.285 -4.243 -1.706 1.00 0.00 C ATOM 176 O LEU A 10 3.987 -3.246 -1.565 1.00 0.00 O ATOM 177 CB LEU A 10 3.652 -5.833 -3.628 1.00 0.00 C ATOM 178 CG LEU A 10 4.449 -6.978 -4.283 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.865 -7.294 -5.661 1.00 0.00 C ATOM 180 CD2 LEU A 10 5.921 -6.622 -4.470 1.00 0.00 C ATOM 0 H LEU A 10 2.395 -6.819 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 10 4.998 -5.512 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.589 -6.042 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.862 -4.914 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 10 4.376 -7.837 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.432 -8.104 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.823 -7.596 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.923 -6.408 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.442 -7.459 -4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.004 -5.743 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.370 -6.409 -3.500 1.00 0.00 H new ATOM 192 N GLU A 11 1.973 -4.214 -1.456 1.00 0.00 N ATOM 193 CA GLU A 11 1.206 -3.000 -1.158 1.00 0.00 C ATOM 194 C GLU A 11 1.487 -2.479 0.261 1.00 0.00 C ATOM 195 O GLU A 11 1.787 -1.297 0.436 1.00 0.00 O ATOM 196 CB GLU A 11 -0.293 -3.305 -1.332 1.00 0.00 C ATOM 197 CG GLU A 11 -0.727 -3.606 -2.780 1.00 0.00 C ATOM 198 CD GLU A 11 -1.006 -2.332 -3.576 1.00 0.00 C ATOM 199 OE1 GLU A 11 -0.249 -1.354 -3.688 1.00 0.00 O ATOM 200 OE2 GLU A 11 -2.095 -2.011 -4.082 1.00 0.00 O ATOM 0 H GLU A 11 1.399 -5.057 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 11 1.512 -2.216 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.551 -4.159 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.868 -2.455 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.053 -4.181 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.622 -4.228 -2.767 1.00 0.00 H new ATOM 207 N GLN A 12 1.466 -3.353 1.279 1.00 0.00 N ATOM 208 CA GLN A 12 1.857 -3.000 2.645 1.00 0.00 C ATOM 209 C GLN A 12 3.367 -2.725 2.762 1.00 0.00 C ATOM 210 O GLN A 12 3.779 -1.833 3.504 1.00 0.00 O ATOM 211 CB GLN A 12 1.413 -4.122 3.594 1.00 0.00 C ATOM 212 CG GLN A 12 0.258 -3.662 4.489 1.00 0.00 C ATOM 213 CD GLN A 12 0.673 -2.648 5.558 1.00 0.00 C ATOM 214 OE1 GLN A 12 1.656 -2.808 6.269 1.00 0.00 O ATOM 215 NE2 GLN A 12 -0.056 -1.563 5.719 1.00 0.00 N ATOM 0 H GLN A 12 1.176 -4.325 1.174 1.00 0.00 H new ATOM 0 HA GLN A 12 1.360 -2.071 2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.104 -4.992 3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.255 -4.434 4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.520 -3.221 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.180 -4.532 4.977 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.879 -1.411 5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.203 -0.875 6.426 1.00 0.00 H new ATOM 224 N GLN A 13 4.191 -3.435 1.981 1.00 0.00 N ATOM 225 CA GLN A 13 5.628 -3.191 1.864 1.00 0.00 C ATOM 226 C GLN A 13 5.924 -1.776 1.335 1.00 0.00 C ATOM 227 O GLN A 13 6.678 -1.025 1.953 1.00 0.00 O ATOM 228 CB GLN A 13 6.246 -4.288 0.994 1.00 0.00 C ATOM 229 CG GLN A 13 6.934 -5.397 1.810 1.00 0.00 C ATOM 230 CD GLN A 13 8.282 -5.006 2.424 1.00 0.00 C ATOM 231 OE1 GLN A 13 8.624 -3.846 2.611 1.00 0.00 O ATOM 232 NE2 GLN A 13 9.114 -5.971 2.762 1.00 0.00 N ATOM 0 H GLN A 13 3.867 -4.210 1.402 1.00 0.00 H new ATOM 0 HA GLN A 13 6.087 -3.233 2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.467 -4.732 0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.974 -3.839 0.318 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.263 -5.708 2.611 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.083 -6.263 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.851 -6.946 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.021 -5.743 3.170 1.00 0.00 H new ATOM 241 N ALA A 14 5.265 -1.370 0.244 1.00 0.00 N ATOM 242 CA ALA A 14 5.343 -0.009 -0.288 1.00 0.00 C ATOM 243 C ALA A 14 4.820 1.044 0.710 1.00 0.00 C ATOM 244 O ALA A 14 5.485 2.052 0.933 1.00 0.00 O ATOM 245 CB ALA A 14 4.590 0.037 -1.623 1.00 0.00 C ATOM 0 H ALA A 14 4.657 -1.984 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 14 6.389 0.248 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.638 1.046 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.048 -0.662 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.548 -0.240 -1.463 1.00 0.00 H new ATOM 251 N MET A 15 3.676 0.805 1.366 1.00 0.00 N ATOM 252 CA MET A 15 3.117 1.697 2.399 1.00 0.00 C ATOM 253 C MET A 15 4.119 2.009 3.523 1.00 0.00 C ATOM 254 O MET A 15 4.300 3.174 3.886 1.00 0.00 O ATOM 255 CB MET A 15 1.820 1.069 2.945 1.00 0.00 C ATOM 256 CG MET A 15 1.189 1.811 4.133 1.00 0.00 C ATOM 257 SD MET A 15 0.858 3.582 3.923 1.00 0.00 S ATOM 258 CE MET A 15 -0.236 3.548 2.481 1.00 0.00 C ATOM 0 H MET A 15 3.104 -0.022 1.194 1.00 0.00 H new ATOM 0 HA MET A 15 2.892 2.660 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.090 1.020 2.137 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.030 0.043 3.247 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.248 1.318 4.378 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.846 1.690 4.994 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.779 4.491 2.414 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.357 3.405 1.578 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.946 2.727 2.582 1.00 0.00 H new ATOM 268 N LYS A 16 4.836 0.989 4.019 1.00 0.00 N ATOM 269 CA LYS A 16 5.899 1.129 5.032 1.00 0.00 C ATOM 270 C LYS A 16 6.973 2.145 4.623 1.00 0.00 C ATOM 271 O LYS A 16 7.428 2.937 5.445 1.00 0.00 O ATOM 272 CB LYS A 16 6.532 -0.254 5.291 1.00 0.00 C ATOM 273 CG LYS A 16 6.711 -0.604 6.779 1.00 0.00 C ATOM 274 CD LYS A 16 7.705 0.303 7.525 1.00 0.00 C ATOM 275 CE LYS A 16 7.856 -0.084 9.005 1.00 0.00 C ATOM 276 NZ LYS A 16 8.541 -1.392 9.193 1.00 0.00 N ATOM 0 H LYS A 16 4.692 0.024 3.723 1.00 0.00 H new ATOM 0 HA LYS A 16 5.445 1.512 5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.911 -1.018 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.505 -0.292 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.741 -0.546 7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.048 -1.637 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.678 0.249 7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.371 1.338 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.418 0.693 9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.870 -0.126 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.646 -1.586 10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.976 -2.146 8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.481 -1.359 8.748 1.00 0.00 H new ATOM 290 N LEU A 17 7.357 2.149 3.347 1.00 0.00 N ATOM 291 CA LEU A 17 8.382 3.019 2.784 1.00 0.00 C ATOM 292 C LEU A 17 7.853 4.419 2.506 1.00 0.00 C ATOM 293 O LEU A 17 8.559 5.405 2.713 1.00 0.00 O ATOM 294 CB LEU A 17 8.857 2.402 1.469 1.00 0.00 C ATOM 295 CG LEU A 17 9.487 1.030 1.691 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.683 0.337 0.349 1.00 0.00 C ATOM 297 CD2 LEU A 17 10.814 1.120 2.445 1.00 0.00 C ATOM 0 H LEU A 17 6.946 1.523 2.654 1.00 0.00 H new ATOM 0 HA LEU A 17 9.194 3.108 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.014 2.310 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.582 3.064 0.996 1.00 0.00 H new ATOM 0 HG LEU A 17 8.808 0.445 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.133 -0.643 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.718 0.218 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.339 0.940 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.225 0.119 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.517 1.727 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.648 1.578 3.420 1.00 0.00 H new ATOM 309 N TYR A 18 6.599 4.502 2.060 1.00 0.00 N ATOM 310 CA TYR A 18 5.966 5.766 1.718 1.00 0.00 C ATOM 311 C TYR A 18 5.755 6.666 2.949 1.00 0.00 C ATOM 312 O TYR A 18 5.888 7.885 2.817 1.00 0.00 O ATOM 313 CB TYR A 18 4.667 5.492 0.946 1.00 0.00 C ATOM 314 CG TYR A 18 4.818 5.329 -0.560 1.00 0.00 C ATOM 315 CD1 TYR A 18 5.366 6.378 -1.329 1.00 0.00 C ATOM 316 CD2 TYR A 18 4.358 4.164 -1.205 1.00 0.00 C ATOM 317 CE1 TYR A 18 5.496 6.246 -2.726 1.00 0.00 C ATOM 318 CE2 TYR A 18 4.494 4.023 -2.600 1.00 0.00 C ATOM 319 CZ TYR A 18 5.076 5.057 -3.363 1.00 0.00 C ATOM 320 OH TYR A 18 5.226 4.900 -4.706 1.00 0.00 O ATOM 0 H TYR A 18 5.996 3.690 1.927 1.00 0.00 H new ATOM 0 HA TYR A 18 6.635 6.331 1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.211 4.587 1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.973 6.310 1.137 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.688 7.288 -0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.899 3.375 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.916 7.052 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.152 3.121 -3.086 1.00 0.00 H new ATOM 0 HH TYR A 18 4.450 4.423 -5.068 1.00 0.00 H new ATOM 330 N ARG A 19 5.523 6.110 4.156 1.00 0.00 N ATOM 331 CA ARG A 19 5.595 6.897 5.406 1.00 0.00 C ATOM 332 C ARG A 19 7.024 7.279 5.823 1.00 0.00 C ATOM 333 O ARG A 19 7.224 8.358 6.377 1.00 0.00 O ATOM 334 CB ARG A 19 4.838 6.206 6.559 1.00 0.00 C ATOM 335 CG ARG A 19 5.393 4.836 6.993 1.00 0.00 C ATOM 336 CD ARG A 19 4.911 4.424 8.389 1.00 0.00 C ATOM 337 NE ARG A 19 5.562 5.232 9.443 1.00 0.00 N ATOM 338 CZ ARG A 19 5.416 5.106 10.750 1.00 0.00 C ATOM 339 NH1 ARG A 19 4.626 4.215 11.278 1.00 0.00 N ATOM 340 NH2 ARG A 19 6.072 5.886 11.561 1.00 0.00 N ATOM 0 H ARG A 19 5.286 5.127 4.292 1.00 0.00 H new ATOM 0 HA ARG A 19 5.093 7.838 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.844 6.870 7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.797 6.079 6.262 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.090 4.079 6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.482 4.869 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.829 4.543 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.125 3.368 8.553 1.00 0.00 H new ATOM 0 HE ARG A 19 6.193 5.968 9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.094 3.585 10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.539 4.147 12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.701 6.597 11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.957 5.786 12.570 1.00 0.00 H new ATOM 354 N GLU A 20 8.018 6.427 5.556 1.00 0.00 N ATOM 355 CA GLU A 20 9.420 6.620 5.975 1.00 0.00 C ATOM 356 C GLU A 20 10.085 7.766 5.198 1.00 0.00 C ATOM 357 O GLU A 20 10.591 8.727 5.777 1.00 0.00 O ATOM 358 CB GLU A 20 10.183 5.303 5.735 1.00 0.00 C ATOM 359 CG GLU A 20 11.385 5.076 6.666 1.00 0.00 C ATOM 360 CD GLU A 20 12.562 6.041 6.415 1.00 0.00 C ATOM 361 OE1 GLU A 20 13.095 6.076 5.279 1.00 0.00 O ATOM 362 OE2 GLU A 20 12.987 6.739 7.365 1.00 0.00 O ATOM 0 H GLU A 20 7.873 5.564 5.032 1.00 0.00 H new ATOM 0 HA GLU A 20 9.444 6.887 7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.489 4.471 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.532 5.285 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.056 5.181 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.736 4.051 6.546 1.00 0.00 H new ATOM 369 N ALA A 21 10.020 7.679 3.869 1.00 0.00 N ATOM 370 CA ALA A 21 10.590 8.652 2.939 1.00 0.00 C ATOM 371 C ALA A 21 9.843 9.998 2.896 1.00 0.00 C ATOM 372 O ALA A 21 10.347 10.948 2.300 1.00 0.00 O ATOM 373 CB ALA A 21 10.664 8.000 1.550 1.00 0.00 C ATOM 0 H ALA A 21 9.554 6.905 3.396 1.00 0.00 H new ATOM 0 HA ALA A 21 11.587 8.912 3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.087 8.708 0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.295 7.113 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.662 7.716 1.228 1.00 0.00 H new ATOM 379 N SER A 22 8.665 10.122 3.522 1.00 0.00 N ATOM 380 CA SER A 22 7.819 11.328 3.455 1.00 0.00 C ATOM 381 C SER A 22 8.541 12.603 3.899 1.00 0.00 C ATOM 382 O SER A 22 8.576 13.590 3.168 1.00 0.00 O ATOM 383 CB SER A 22 6.579 11.118 4.333 1.00 0.00 C ATOM 384 OG SER A 22 5.544 12.031 4.002 1.00 0.00 O ATOM 0 H SER A 22 8.265 9.380 4.097 1.00 0.00 H new ATOM 0 HA SER A 22 7.546 11.468 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.216 10.097 4.213 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.850 11.239 5.382 1.00 0.00 H new ATOM 0 HG SER A 22 4.768 11.869 4.579 1.00 0.00 H new ATOM 390 N GLU A 23 9.167 12.561 5.075 1.00 0.00 N ATOM 391 CA GLU A 23 9.962 13.671 5.622 1.00 0.00 C ATOM 392 C GLU A 23 11.167 14.020 4.726 1.00 0.00 C ATOM 393 O GLU A 23 11.500 15.196 4.560 1.00 0.00 O ATOM 394 CB GLU A 23 10.400 13.314 7.056 1.00 0.00 C ATOM 395 CG GLU A 23 11.011 14.472 7.868 1.00 0.00 C ATOM 396 CD GLU A 23 12.481 14.814 7.532 1.00 0.00 C ATOM 397 OE1 GLU A 23 13.295 13.892 7.279 1.00 0.00 O ATOM 398 OE2 GLU A 23 12.848 16.014 7.579 1.00 0.00 O ATOM 0 H GLU A 23 9.138 11.745 5.687 1.00 0.00 H new ATOM 0 HA GLU A 23 9.342 14.567 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.535 12.930 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.129 12.505 7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.403 15.363 7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.946 14.224 8.927 1.00 0.00 H new ATOM 405 N ARG A 24 11.795 13.005 4.115 1.00 0.00 N ATOM 406 CA ARG A 24 12.997 13.152 3.280 1.00 0.00 C ATOM 407 C ARG A 24 12.699 13.627 1.850 1.00 0.00 C ATOM 408 O ARG A 24 13.542 14.302 1.256 1.00 0.00 O ATOM 409 CB ARG A 24 13.780 11.821 3.288 1.00 0.00 C ATOM 410 CG ARG A 24 15.301 11.988 3.119 1.00 0.00 C ATOM 411 CD ARG A 24 15.958 12.623 4.357 1.00 0.00 C ATOM 412 NE ARG A 24 17.432 12.642 4.244 1.00 0.00 N ATOM 413 CZ ARG A 24 18.228 13.695 4.149 1.00 0.00 C ATOM 414 NH1 ARG A 24 17.778 14.917 4.101 1.00 0.00 N ATOM 415 NH2 ARG A 24 19.520 13.537 4.104 1.00 0.00 N ATOM 0 H ARG A 24 11.475 12.039 4.189 1.00 0.00 H new ATOM 0 HA ARG A 24 13.608 13.943 3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.584 11.302 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.403 11.185 2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.753 11.014 2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.502 12.608 2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.589 13.641 4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.668 12.067 5.248 1.00 0.00 H new ATOM 0 HE ARG A 24 17.892 11.732 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.774 15.092 4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.430 15.698 4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 24 19.921 12.600 4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.131 14.350 4.031 1.00 0.00 H new ATOM 429 N VAL A 25 11.516 13.318 1.303 1.00 0.00 N ATOM 430 CA VAL A 25 11.106 13.696 -0.067 1.00 0.00 C ATOM 431 C VAL A 25 10.325 15.018 -0.084 1.00 0.00 C ATOM 432 O VAL A 25 10.612 15.886 -0.908 1.00 0.00 O ATOM 433 CB VAL A 25 10.301 12.556 -0.721 1.00 0.00 C ATOM 434 CG1 VAL A 25 9.722 12.924 -2.092 1.00 0.00 C ATOM 435 CG2 VAL A 25 11.185 11.319 -0.937 1.00 0.00 C ATOM 0 H VAL A 25 10.801 12.790 1.804 1.00 0.00 H new ATOM 0 HA VAL A 25 12.009 13.857 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 25 9.483 12.358 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.168 12.075 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.052 13.777 -1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.534 13.182 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.596 10.527 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.020 11.578 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.567 10.973 0.023 1.00 0.00 H new ATOM 445 N GLY A 26 9.369 15.205 0.832 1.00 0.00 N ATOM 446 CA GLY A 26 8.629 16.460 1.035 1.00 0.00 C ATOM 447 C GLY A 26 7.594 16.851 -0.039 1.00 0.00 C ATOM 448 O GLY A 26 6.823 17.786 0.189 1.00 0.00 O ATOM 0 H GLY A 26 9.078 14.467 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.113 16.397 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.354 17.270 1.116 1.00 0.00 H new ATOM 452 N ASP A 27 7.541 16.174 -1.191 1.00 0.00 N ATOM 453 CA ASP A 27 6.549 16.438 -2.250 1.00 0.00 C ATOM 454 C ASP A 27 5.102 16.164 -1.777 1.00 0.00 C ATOM 455 O ASP A 27 4.860 15.156 -1.104 1.00 0.00 O ATOM 456 CB ASP A 27 6.854 15.594 -3.499 1.00 0.00 C ATOM 457 CG ASP A 27 7.984 16.206 -4.343 1.00 0.00 C ATOM 458 OD1 ASP A 27 7.756 17.269 -4.967 1.00 0.00 O ATOM 459 OD2 ASP A 27 9.092 15.622 -4.399 1.00 0.00 O ATOM 0 H ASP A 27 8.189 15.420 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 27 6.625 17.497 -2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.133 14.585 -3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.953 15.507 -4.107 1.00 0.00 H new ATOM 464 N PRO A 28 4.114 17.004 -2.146 1.00 0.00 N ATOM 465 CA PRO A 28 2.732 16.861 -1.679 1.00 0.00 C ATOM 466 C PRO A 28 1.981 15.695 -2.340 1.00 0.00 C ATOM 467 O PRO A 28 1.078 15.137 -1.720 1.00 0.00 O ATOM 468 CB PRO A 28 2.065 18.204 -1.997 1.00 0.00 C ATOM 469 CG PRO A 28 2.832 18.705 -3.221 1.00 0.00 C ATOM 470 CD PRO A 28 4.252 18.204 -2.963 1.00 0.00 C ATOM 0 HA PRO A 28 2.711 16.622 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.003 18.084 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.145 18.899 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.423 18.301 -4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.796 19.791 -3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.763 17.981 -3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.845 18.960 -2.448 1.00 0.00 H new ATOM 478 N VAL A 29 2.333 15.284 -3.568 1.00 0.00 N ATOM 479 CA VAL A 29 1.607 14.209 -4.277 1.00 0.00 C ATOM 480 C VAL A 29 1.785 12.826 -3.631 1.00 0.00 C ATOM 481 O VAL A 29 0.911 11.972 -3.774 1.00 0.00 O ATOM 482 CB VAL A 29 1.889 14.229 -5.796 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.184 13.530 -6.226 1.00 0.00 C ATOM 484 CG2 VAL A 29 0.723 13.614 -6.574 1.00 0.00 C ATOM 0 H VAL A 29 3.114 15.677 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 29 0.544 14.424 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 29 2.010 15.286 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.292 13.598 -7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.035 14.013 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.147 12.482 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.944 13.639 -7.641 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.579 12.581 -6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.186 14.183 -6.378 1.00 0.00 H new ATOM 494 N LEU A 30 2.828 12.616 -2.813 1.00 0.00 N ATOM 495 CA LEU A 30 2.954 11.452 -1.938 1.00 0.00 C ATOM 496 C LEU A 30 1.751 11.296 -0.990 1.00 0.00 C ATOM 497 O LEU A 30 1.313 10.174 -0.749 1.00 0.00 O ATOM 498 CB LEU A 30 4.274 11.566 -1.152 1.00 0.00 C ATOM 499 CG LEU A 30 5.424 10.732 -1.740 1.00 0.00 C ATOM 500 CD1 LEU A 30 5.890 11.256 -3.099 1.00 0.00 C ATOM 501 CD2 LEU A 30 6.619 10.739 -0.787 1.00 0.00 C ATOM 0 H LEU A 30 3.615 13.261 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 30 2.967 10.553 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.577 12.613 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.101 11.253 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 30 5.039 9.721 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.703 10.632 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.059 11.227 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.240 12.283 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.428 10.145 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.960 11.764 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.322 10.313 0.172 1.00 0.00 H new ATOM 513 N ALA A 31 1.162 12.397 -0.508 1.00 0.00 N ATOM 514 CA ALA A 31 -0.050 12.365 0.313 1.00 0.00 C ATOM 515 C ALA A 31 -1.264 11.785 -0.444 1.00 0.00 C ATOM 516 O ALA A 31 -2.072 11.066 0.145 1.00 0.00 O ATOM 517 CB ALA A 31 -0.330 13.779 0.842 1.00 0.00 C ATOM 0 H ALA A 31 1.516 13.338 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 31 0.118 11.691 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.231 13.766 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.514 14.116 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.472 14.460 0.003 1.00 0.00 H new ATOM 523 N LYS A 32 -1.369 12.041 -1.760 1.00 0.00 N ATOM 524 CA LYS A 32 -2.405 11.457 -2.629 1.00 0.00 C ATOM 525 C LYS A 32 -2.116 9.990 -2.970 1.00 0.00 C ATOM 526 O LYS A 32 -3.025 9.161 -2.933 1.00 0.00 O ATOM 527 CB LYS A 32 -2.560 12.316 -3.901 1.00 0.00 C ATOM 528 CG LYS A 32 -3.826 11.992 -4.717 1.00 0.00 C ATOM 529 CD LYS A 32 -5.124 12.434 -4.014 1.00 0.00 C ATOM 530 CE LYS A 32 -6.390 11.995 -4.765 1.00 0.00 C ATOM 531 NZ LYS A 32 -6.550 12.680 -6.075 1.00 0.00 N ATOM 0 H LYS A 32 -0.731 12.665 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.349 11.461 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.581 13.368 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.684 12.173 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.761 12.482 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.867 10.919 -4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.144 12.020 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.125 13.519 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.356 10.917 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.263 12.198 -4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.420 12.346 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.611 13.707 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.732 12.467 -6.681 1.00 0.00 H new ATOM 545 N ILE A 33 -0.848 9.652 -3.220 1.00 0.00 N ATOM 546 CA ILE A 33 -0.395 8.263 -3.423 1.00 0.00 C ATOM 547 C ILE A 33 -0.763 7.394 -2.198 1.00 0.00 C ATOM 548 O ILE A 33 -1.372 6.337 -2.352 1.00 0.00 O ATOM 549 CB ILE A 33 1.117 8.215 -3.723 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.350 8.817 -5.126 1.00 0.00 C ATOM 551 CG2 ILE A 33 1.692 6.786 -3.642 1.00 0.00 C ATOM 552 CD1 ILE A 33 2.827 8.936 -5.488 1.00 0.00 C ATOM 0 H ILE A 33 -0.096 10.338 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.909 7.851 -4.291 1.00 0.00 H new ATOM 0 HB ILE A 33 1.641 8.795 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.849 8.197 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.890 9.804 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.759 6.810 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.537 6.388 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.187 6.149 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.924 9.366 -6.485 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.328 9.580 -4.765 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.286 7.948 -5.473 1.00 0.00 H new ATOM 564 N LEU A 34 -0.451 7.858 -0.978 1.00 0.00 N ATOM 565 CA LEU A 34 -0.783 7.184 0.291 1.00 0.00 C ATOM 566 C LEU A 34 -2.282 6.907 0.442 1.00 0.00 C ATOM 567 O LEU A 34 -2.682 5.817 0.846 1.00 0.00 O ATOM 568 CB LEU A 34 -0.338 8.068 1.474 1.00 0.00 C ATOM 569 CG LEU A 34 1.172 8.038 1.722 1.00 0.00 C ATOM 570 CD1 LEU A 34 1.605 9.193 2.627 1.00 0.00 C ATOM 571 CD2 LEU A 34 1.595 6.736 2.405 1.00 0.00 C ATOM 0 H LEU A 34 0.052 8.735 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.260 6.228 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.647 9.096 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.853 7.740 2.377 1.00 0.00 H new ATOM 0 HG LEU A 34 1.648 8.123 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.682 9.146 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.349 10.141 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.093 9.115 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.673 6.744 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.084 6.645 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.330 5.890 1.771 1.00 0.00 H new ATOM 583 N GLU A 35 -3.099 7.900 0.102 1.00 0.00 N ATOM 584 CA GLU A 35 -4.555 7.855 0.170 1.00 0.00 C ATOM 585 C GLU A 35 -5.135 6.740 -0.704 1.00 0.00 C ATOM 586 O GLU A 35 -6.016 5.998 -0.268 1.00 0.00 O ATOM 587 CB GLU A 35 -5.070 9.227 -0.288 1.00 0.00 C ATOM 588 CG GLU A 35 -5.581 10.076 0.874 1.00 0.00 C ATOM 589 CD GLU A 35 -7.069 9.834 1.208 1.00 0.00 C ATOM 590 OE1 GLU A 35 -7.623 8.755 0.883 1.00 0.00 O ATOM 591 OE2 GLU A 35 -7.705 10.737 1.806 1.00 0.00 O ATOM 0 H GLU A 35 -2.749 8.794 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.871 7.637 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.269 9.761 -0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.872 9.087 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.980 9.866 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.438 11.130 0.634 1.00 0.00 H new ATOM 598 N ASP A 36 -4.596 6.572 -1.914 1.00 0.00 N ATOM 599 CA ASP A 36 -4.961 5.478 -2.800 1.00 0.00 C ATOM 600 C ASP A 36 -4.561 4.112 -2.211 1.00 0.00 C ATOM 601 O ASP A 36 -5.370 3.184 -2.181 1.00 0.00 O ATOM 602 CB ASP A 36 -4.249 5.686 -4.136 1.00 0.00 C ATOM 603 CG ASP A 36 -4.666 6.924 -4.944 1.00 0.00 C ATOM 604 OD1 ASP A 36 -5.821 7.401 -4.829 1.00 0.00 O ATOM 605 OD2 ASP A 36 -3.817 7.379 -5.747 1.00 0.00 O ATOM 0 H ASP A 36 -3.891 7.198 -2.303 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.043 5.476 -2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.177 5.746 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.415 4.803 -4.753 1.00 0.00 H new ATOM 610 N GLU A 37 -3.329 3.982 -1.697 1.00 0.00 N ATOM 611 CA GLU A 37 -2.833 2.715 -1.139 1.00 0.00 C ATOM 612 C GLU A 37 -3.586 2.238 0.122 1.00 0.00 C ATOM 613 O GLU A 37 -3.565 1.044 0.411 1.00 0.00 O ATOM 614 CB GLU A 37 -1.319 2.768 -0.855 1.00 0.00 C ATOM 615 CG GLU A 37 -0.380 3.027 -2.048 1.00 0.00 C ATOM 616 CD GLU A 37 -0.403 1.990 -3.175 1.00 0.00 C ATOM 617 OE1 GLU A 37 -1.254 1.072 -3.234 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.397 2.102 -4.137 1.00 0.00 O ATOM 0 H GLU A 37 -2.653 4.745 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.030 1.979 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.143 3.547 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.029 1.822 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.630 3.999 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.640 3.097 -1.670 1.00 0.00 H new ATOM 625 N GLU A 38 -4.293 3.105 0.859 1.00 0.00 N ATOM 626 CA GLU A 38 -5.180 2.669 1.954 1.00 0.00 C ATOM 627 C GLU A 38 -6.376 1.845 1.442 1.00 0.00 C ATOM 628 O GLU A 38 -6.643 0.749 1.949 1.00 0.00 O ATOM 629 CB GLU A 38 -5.690 3.872 2.764 1.00 0.00 C ATOM 630 CG GLU A 38 -4.598 4.502 3.637 1.00 0.00 C ATOM 631 CD GLU A 38 -5.175 5.632 4.512 1.00 0.00 C ATOM 632 OE1 GLU A 38 -5.647 5.345 5.641 1.00 0.00 O ATOM 633 OE2 GLU A 38 -5.160 6.812 4.087 1.00 0.00 O ATOM 0 H GLU A 38 -4.270 4.115 0.719 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.581 2.028 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.083 4.625 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.518 3.554 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.149 3.738 4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.804 4.897 3.004 1.00 0.00 H new ATOM 640 N LYS A 39 -7.063 2.322 0.392 1.00 0.00 N ATOM 641 CA LYS A 39 -8.174 1.594 -0.254 1.00 0.00 C ATOM 642 C LYS A 39 -7.712 0.239 -0.798 1.00 0.00 C ATOM 643 O LYS A 39 -8.435 -0.750 -0.712 1.00 0.00 O ATOM 644 CB LYS A 39 -8.797 2.428 -1.391 1.00 0.00 C ATOM 645 CG LYS A 39 -9.785 3.522 -0.953 1.00 0.00 C ATOM 646 CD LYS A 39 -9.136 4.706 -0.224 1.00 0.00 C ATOM 647 CE LYS A 39 -10.155 5.835 -0.031 1.00 0.00 C ATOM 648 NZ LYS A 39 -9.658 6.884 0.899 1.00 0.00 N ATOM 0 H LYS A 39 -6.865 3.226 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.932 1.420 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.991 2.897 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.312 1.751 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.309 3.895 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.536 3.077 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.755 4.381 0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.283 5.071 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.383 6.286 -0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.086 5.420 0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.409 7.583 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.384 6.446 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.832 7.357 0.479 1.00 0.00 H new ATOM 662 N HIS A 40 -6.475 0.174 -1.293 1.00 0.00 N ATOM 663 CA HIS A 40 -5.843 -1.018 -1.864 1.00 0.00 C ATOM 664 C HIS A 40 -5.515 -2.145 -0.867 1.00 0.00 C ATOM 665 O HIS A 40 -5.042 -3.192 -1.296 1.00 0.00 O ATOM 666 CB HIS A 40 -4.540 -0.596 -2.532 1.00 0.00 C ATOM 667 CG HIS A 40 -4.628 0.247 -3.777 1.00 0.00 C ATOM 668 ND1 HIS A 40 -3.548 0.471 -4.643 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.711 0.945 -4.224 1.00 0.00 C ATOM 670 CE1 HIS A 40 -4.023 1.322 -5.579 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.309 1.621 -5.346 1.00 0.00 N ATOM 0 H HIS A 40 -5.858 0.986 -1.308 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.578 -1.432 -2.555 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.950 -0.048 -1.798 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.982 -1.500 -2.778 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.695 0.962 -3.780 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.444 1.709 -6.404 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.889 2.245 -5.908 1.00 0.00 H new ATOM 679 N ILE A 41 -5.757 -1.950 0.430 1.00 0.00 N ATOM 680 CA ILE A 41 -5.652 -2.973 1.490 1.00 0.00 C ATOM 681 C ILE A 41 -7.047 -3.270 2.075 1.00 0.00 C ATOM 682 O ILE A 41 -7.376 -4.429 2.328 1.00 0.00 O ATOM 683 CB ILE A 41 -4.698 -2.503 2.617 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.279 -2.110 2.147 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.592 -3.561 3.734 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.451 -3.220 1.493 1.00 0.00 C ATOM 0 H ILE A 41 -6.044 -1.041 0.793 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.244 -3.883 1.049 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.158 -1.591 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.369 -1.287 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.726 -1.732 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.916 -3.204 4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.578 -3.736 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.207 -4.492 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.476 -2.826 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.317 -4.039 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.970 -3.587 0.607 1.00 0.00 H new ATOM 698 N GLU A 42 -7.906 -2.253 2.227 1.00 0.00 N ATOM 699 CA GLU A 42 -9.319 -2.438 2.604 1.00 0.00 C ATOM 700 C GLU A 42 -10.054 -3.348 1.605 1.00 0.00 C ATOM 701 O GLU A 42 -10.711 -4.322 1.986 1.00 0.00 O ATOM 702 CB GLU A 42 -10.026 -1.070 2.661 1.00 0.00 C ATOM 703 CG GLU A 42 -9.575 -0.170 3.820 1.00 0.00 C ATOM 704 CD GLU A 42 -10.118 -0.667 5.174 1.00 0.00 C ATOM 705 OE1 GLU A 42 -11.266 -0.313 5.537 1.00 0.00 O ATOM 706 OE2 GLU A 42 -9.399 -1.405 5.890 1.00 0.00 O ATOM 0 H GLU A 42 -7.643 -1.277 2.092 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.344 -2.914 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.852 -0.546 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.101 -1.233 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.486 -0.139 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.917 0.850 3.643 1.00 0.00 H new ATOM 713 N TRP A 43 -9.901 -3.063 0.310 1.00 0.00 N ATOM 714 CA TRP A 43 -10.488 -3.856 -0.769 1.00 0.00 C ATOM 715 C TRP A 43 -9.747 -5.177 -1.004 1.00 0.00 C ATOM 716 O TRP A 43 -10.397 -6.167 -1.331 1.00 0.00 O ATOM 717 CB TRP A 43 -10.564 -2.996 -2.033 1.00 0.00 C ATOM 718 CG TRP A 43 -11.412 -1.756 -1.918 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.424 -1.559 -1.036 1.00 0.00 C ATOM 720 CD2 TRP A 43 -11.332 -0.520 -2.697 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.959 -0.297 -1.200 1.00 0.00 N ATOM 722 CE2 TRP A 43 -12.340 0.380 -2.231 1.00 0.00 C ATOM 723 CE3 TRP A 43 -10.514 -0.075 -3.758 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -12.534 1.648 -2.802 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -10.709 1.189 -4.351 1.00 0.00 C ATOM 726 CH2 TRP A 43 -11.717 2.049 -3.876 1.00 0.00 C ATOM 0 H TRP A 43 -9.359 -2.265 -0.021 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.497 -4.149 -0.478 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.553 -2.700 -2.313 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.953 -3.608 -2.846 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.762 -2.284 -0.311 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.715 0.086 -0.632 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.724 -0.715 -4.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.300 2.307 -2.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.082 1.499 -5.174 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.863 3.016 -4.335 1.00 0.00 H new ATOM 737 N LEU A 44 -8.433 -5.237 -0.749 1.00 0.00 N ATOM 738 CA LEU A 44 -7.654 -6.483 -0.687 1.00 0.00 C ATOM 739 C LEU A 44 -8.325 -7.510 0.232 1.00 0.00 C ATOM 740 O LEU A 44 -8.721 -8.582 -0.213 1.00 0.00 O ATOM 741 CB LEU A 44 -6.249 -6.136 -0.165 1.00 0.00 C ATOM 742 CG LEU A 44 -5.082 -7.000 -0.629 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.822 -6.551 0.088 1.00 0.00 C ATOM 744 CD2 LEU A 44 -5.281 -8.503 -0.425 1.00 0.00 C ATOM 0 H LEU A 44 -7.870 -4.404 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.594 -6.929 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.034 -5.105 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.279 -6.171 0.924 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.005 -6.858 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.981 -7.163 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.622 -5.506 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.957 -6.661 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.402 -9.038 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.425 -8.710 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.158 -8.833 -0.981 1.00 0.00 H new ATOM 756 N GLU A 45 -8.508 -7.145 1.502 1.00 0.00 N ATOM 757 CA GLU A 45 -9.137 -7.989 2.525 1.00 0.00 C ATOM 758 C GLU A 45 -10.570 -8.387 2.141 1.00 0.00 C ATOM 759 O GLU A 45 -10.954 -9.551 2.266 1.00 0.00 O ATOM 760 CB GLU A 45 -9.124 -7.240 3.866 1.00 0.00 C ATOM 761 CG GLU A 45 -9.422 -8.177 5.043 1.00 0.00 C ATOM 762 CD GLU A 45 -9.393 -7.422 6.386 1.00 0.00 C ATOM 763 OE1 GLU A 45 -10.423 -6.813 6.768 1.00 0.00 O ATOM 764 OE2 GLU A 45 -8.349 -7.448 7.083 1.00 0.00 O ATOM 0 H GLU A 45 -8.217 -6.234 1.858 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.566 -8.914 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.151 -6.771 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.863 -6.439 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.400 -8.638 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.689 -8.984 5.062 1.00 0.00 H new ATOM 771 N THR A 46 -11.342 -7.431 1.615 1.00 0.00 N ATOM 772 CA THR A 46 -12.718 -7.656 1.133 1.00 0.00 C ATOM 773 C THR A 46 -12.779 -8.705 0.011 1.00 0.00 C ATOM 774 O THR A 46 -13.636 -9.591 0.038 1.00 0.00 O ATOM 775 CB THR A 46 -13.369 -6.341 0.668 1.00 0.00 C ATOM 776 OG1 THR A 46 -13.346 -5.372 1.698 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.844 -6.503 0.291 1.00 0.00 C ATOM 0 H THR A 46 -11.030 -6.466 1.508 1.00 0.00 H new ATOM 0 HA THR A 46 -13.283 -8.046 1.980 1.00 0.00 H new ATOM 0 HB THR A 46 -12.787 -6.036 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.438 -5.017 1.793 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.246 -5.541 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.935 -7.222 -0.523 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.403 -6.861 1.155 1.00 0.00 H new ATOM 785 N ILE A 47 -11.857 -8.648 -0.959 1.00 0.00 N ATOM 786 CA ILE A 47 -11.812 -9.549 -2.128 1.00 0.00 C ATOM 787 C ILE A 47 -11.137 -10.902 -1.833 1.00 0.00 C ATOM 788 O ILE A 47 -11.420 -11.915 -2.474 1.00 0.00 O ATOM 789 CB ILE A 47 -11.235 -8.782 -3.354 1.00 0.00 C ATOM 790 CG1 ILE A 47 -12.328 -8.035 -4.157 1.00 0.00 C ATOM 791 CG2 ILE A 47 -10.480 -9.665 -4.357 1.00 0.00 C ATOM 792 CD1 ILE A 47 -13.112 -6.966 -3.388 1.00 0.00 C ATOM 0 H ILE A 47 -11.103 -7.961 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.830 -9.843 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.537 -8.083 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.858 -7.563 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -13.035 -8.770 -4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.112 -9.050 -5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.638 -10.145 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.153 -10.428 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.849 -6.510 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.620 -7.427 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.425 -6.201 -3.027 1.00 0.00 H new ATOM 804 N ASN A 48 -10.312 -10.930 -0.796 1.00 0.00 N ATOM 805 CA ASN A 48 -9.630 -12.115 -0.254 1.00 0.00 C ATOM 806 C ASN A 48 -10.569 -13.077 0.517 1.00 0.00 C ATOM 807 O ASN A 48 -10.190 -14.217 0.800 1.00 0.00 O ATOM 808 CB ASN A 48 -8.447 -11.630 0.607 1.00 0.00 C ATOM 809 CG ASN A 48 -7.503 -12.735 1.050 1.00 0.00 C ATOM 810 OD1 ASN A 48 -7.003 -13.522 0.258 1.00 0.00 O ATOM 811 ND2 ASN A 48 -7.184 -12.806 2.324 1.00 0.00 N ATOM 0 H ASN A 48 -10.082 -10.083 -0.276 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.265 -12.719 -1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.881 -10.889 0.042 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.838 -11.126 1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.524 -13.514 2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.597 -12.153 2.990 1.00 0.00 H new ATOM 818 N GLY A 49 -11.801 -12.638 0.813 1.00 0.00 N ATOM 819 CA GLY A 49 -12.878 -13.411 1.460 1.00 0.00 C ATOM 820 C GLY A 49 -12.531 -13.956 2.849 1.00 0.00 C ATOM 821 O GLY A 49 -12.681 -15.182 3.057 1.00 0.00 O ATOM 822 OXT GLY A 49 -12.161 -13.155 3.735 1.00 0.00 O ATOM 0 H GLY A 49 -12.091 -11.684 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.761 -12.778 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.145 -14.247 0.813 1.00 0.00 H new TER 826 GLY A 49 ATOM 827 N MET B 1 20.772 8.911 -2.197 1.00 0.00 N ATOM 828 CA MET B 1 19.351 8.945 -2.629 1.00 0.00 C ATOM 829 C MET B 1 19.032 7.668 -3.406 1.00 0.00 C ATOM 830 O MET B 1 19.435 7.523 -4.560 1.00 0.00 O ATOM 831 CB MET B 1 19.041 10.226 -3.433 1.00 0.00 C ATOM 832 CG MET B 1 17.574 10.309 -3.882 1.00 0.00 C ATOM 833 SD MET B 1 17.079 11.895 -4.620 1.00 0.00 S ATOM 834 CE MET B 1 18.072 11.899 -6.141 1.00 0.00 C ATOM 0 H1 MET B 1 20.887 9.482 -1.335 1.00 0.00 H new ATOM 0 H2 MET B 1 21.052 7.929 -2.001 1.00 0.00 H new ATOM 0 H3 MET B 1 21.374 9.298 -2.952 1.00 0.00 H new ATOM 0 HA MET B 1 18.702 8.979 -1.754 1.00 0.00 H new ATOM 0 HB2 MET B 1 19.279 11.098 -2.824 1.00 0.00 H new ATOM 0 HB3 MET B 1 19.687 10.264 -4.310 1.00 0.00 H new ATOM 0 HG2 MET B 1 17.387 9.516 -4.606 1.00 0.00 H new ATOM 0 HG3 MET B 1 16.935 10.112 -3.021 1.00 0.00 H new ATOM 0 HE1 MET B 1 17.849 12.796 -6.719 1.00 0.00 H new ATOM 0 HE2 MET B 1 19.131 11.887 -5.884 1.00 0.00 H new ATOM 0 HE3 MET B 1 17.833 11.016 -6.734 1.00 0.00 H new ATOM 846 N ASP B 2 18.360 6.706 -2.757 1.00 0.00 N ATOM 847 CA ASP B 2 18.362 5.290 -3.182 1.00 0.00 C ATOM 848 C ASP B 2 16.988 4.590 -3.088 1.00 0.00 C ATOM 849 O ASP B 2 16.773 3.549 -3.718 1.00 0.00 O ATOM 850 CB ASP B 2 19.393 4.533 -2.319 1.00 0.00 C ATOM 851 CG ASP B 2 20.829 5.074 -2.470 1.00 0.00 C ATOM 852 OD1 ASP B 2 21.168 6.086 -1.808 1.00 0.00 O ATOM 853 OD2 ASP B 2 21.620 4.490 -3.247 1.00 0.00 O ATOM 0 H ASP B 2 17.799 6.883 -1.923 1.00 0.00 H new ATOM 0 HA ASP B 2 18.622 5.274 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP B 2 19.097 4.596 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP B 2 19.379 3.478 -2.591 1.00 0.00 H new ATOM 858 N TYR B 3 16.037 5.152 -2.331 1.00 0.00 N ATOM 859 CA TYR B 3 14.724 4.545 -2.032 1.00 0.00 C ATOM 860 C TYR B 3 13.725 4.577 -3.207 1.00 0.00 C ATOM 861 O TYR B 3 12.813 3.755 -3.271 1.00 0.00 O ATOM 862 CB TYR B 3 14.131 5.250 -0.796 1.00 0.00 C ATOM 863 CG TYR B 3 14.006 6.762 -0.914 1.00 0.00 C ATOM 864 CD1 TYR B 3 12.838 7.339 -1.448 1.00 0.00 C ATOM 865 CD2 TYR B 3 15.072 7.590 -0.505 1.00 0.00 C ATOM 866 CE1 TYR B 3 12.745 8.737 -1.600 1.00 0.00 C ATOM 867 CE2 TYR B 3 14.991 8.986 -0.672 1.00 0.00 C ATOM 868 CZ TYR B 3 13.828 9.563 -1.228 1.00 0.00 C ATOM 869 OH TYR B 3 13.748 10.909 -1.406 1.00 0.00 O ATOM 0 H TYR B 3 16.158 6.066 -1.896 1.00 0.00 H new ATOM 0 HA TYR B 3 14.895 3.486 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR B 3 13.143 4.834 -0.598 1.00 0.00 H new ATOM 0 HB3 TYR B 3 14.753 5.019 0.069 1.00 0.00 H new ATOM 0 HD1 TYR B 3 12.012 6.709 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR B 3 15.954 7.152 -0.062 1.00 0.00 H new ATOM 0 HE1 TYR B 3 11.844 9.177 -2.002 1.00 0.00 H new ATOM 0 HE2 TYR B 3 15.817 9.615 -0.375 1.00 0.00 H new ATOM 0 HH TYR B 3 13.617 11.106 -2.357 1.00 0.00 H new ATOM 879 N LEU B 4 13.899 5.501 -4.157 1.00 0.00 N ATOM 880 CA LEU B 4 13.021 5.713 -5.309 1.00 0.00 C ATOM 881 C LEU B 4 13.002 4.513 -6.270 1.00 0.00 C ATOM 882 O LEU B 4 11.956 4.148 -6.809 1.00 0.00 O ATOM 883 CB LEU B 4 13.532 6.972 -6.020 1.00 0.00 C ATOM 884 CG LEU B 4 13.352 8.257 -5.192 1.00 0.00 C ATOM 885 CD1 LEU B 4 14.304 9.354 -5.659 1.00 0.00 C ATOM 886 CD2 LEU B 4 11.919 8.780 -5.280 1.00 0.00 C ATOM 0 H LEU B 4 14.688 6.147 -4.143 1.00 0.00 H new ATOM 0 HA LEU B 4 11.991 5.830 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU B 4 14.589 6.844 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU B 4 13.007 7.083 -6.969 1.00 0.00 H new ATOM 0 HG LEU B 4 13.578 7.997 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU B 4 14.153 10.249 -5.055 1.00 0.00 H new ATOM 0 HD12 LEU B 4 15.334 9.013 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU B 4 14.107 9.585 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU B 4 11.826 9.688 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU B 4 11.676 9.001 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU B 4 11.232 8.024 -4.899 1.00 0.00 H new ATOM 898 N ARG B 5 14.161 3.869 -6.444 1.00 0.00 N ATOM 899 CA ARG B 5 14.307 2.635 -7.235 1.00 0.00 C ATOM 900 C ARG B 5 13.628 1.442 -6.578 1.00 0.00 C ATOM 901 O ARG B 5 12.946 0.694 -7.271 1.00 0.00 O ATOM 902 CB ARG B 5 15.796 2.317 -7.456 1.00 0.00 C ATOM 903 CG ARG B 5 16.480 3.280 -8.441 1.00 0.00 C ATOM 904 CD ARG B 5 18.001 3.059 -8.498 1.00 0.00 C ATOM 905 NE ARG B 5 18.371 1.667 -8.841 1.00 0.00 N ATOM 906 CZ ARG B 5 18.484 1.132 -10.044 1.00 0.00 C ATOM 907 NH1 ARG B 5 18.256 1.808 -11.135 1.00 0.00 N ATOM 908 NH2 ARG B 5 18.827 -0.117 -10.175 1.00 0.00 N ATOM 0 H ARG B 5 15.038 4.192 -6.035 1.00 0.00 H new ATOM 0 HA ARG B 5 13.817 2.812 -8.192 1.00 0.00 H new ATOM 0 HB2 ARG B 5 16.316 2.357 -6.499 1.00 0.00 H new ATOM 0 HB3 ARG B 5 15.892 1.297 -7.829 1.00 0.00 H new ATOM 0 HG2 ARG B 5 16.056 3.143 -9.436 1.00 0.00 H new ATOM 0 HG3 ARG B 5 16.274 4.309 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG B 5 18.434 3.736 -9.235 1.00 0.00 H new ATOM 0 HD3 ARG B 5 18.437 3.318 -7.533 1.00 0.00 H new ATOM 0 HE ARG B 5 18.562 1.046 -8.054 1.00 0.00 H new ATOM 0 HH11 ARG B 5 17.979 2.788 -11.079 1.00 0.00 H new ATOM 0 HH12 ARG B 5 18.355 1.357 -12.044 1.00 0.00 H new ATOM 0 HH21 ARG B 5 19.009 -0.685 -9.348 1.00 0.00 H new ATOM 0 HH22 ARG B 5 18.913 -0.527 -11.105 1.00 0.00 H new ATOM 922 N GLU B 6 13.750 1.274 -5.260 1.00 0.00 N ATOM 923 CA GLU B 6 13.001 0.280 -4.512 1.00 0.00 C ATOM 924 C GLU B 6 11.490 0.506 -4.657 1.00 0.00 C ATOM 925 O GLU B 6 10.757 -0.450 -4.883 1.00 0.00 O ATOM 926 CB GLU B 6 13.455 0.355 -3.052 1.00 0.00 C ATOM 927 CG GLU B 6 14.647 -0.568 -2.774 1.00 0.00 C ATOM 928 CD GLU B 6 14.943 -0.655 -1.265 1.00 0.00 C ATOM 929 OE1 GLU B 6 15.668 0.218 -0.730 1.00 0.00 O ATOM 930 OE2 GLU B 6 14.462 -1.608 -0.603 1.00 0.00 O ATOM 0 H GLU B 6 14.379 1.832 -4.683 1.00 0.00 H new ATOM 0 HA GLU B 6 13.196 -0.719 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.727 1.382 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.625 0.082 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU B 6 14.438 -1.564 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.527 -0.198 -3.299 1.00 0.00 H new ATOM 937 N LEU B 7 11.027 1.761 -4.628 1.00 0.00 N ATOM 938 CA LEU B 7 9.648 2.138 -4.930 1.00 0.00 C ATOM 939 C LEU B 7 9.154 1.673 -6.294 1.00 0.00 C ATOM 940 O LEU B 7 8.167 0.946 -6.365 1.00 0.00 O ATOM 941 CB LEU B 7 9.487 3.648 -4.714 1.00 0.00 C ATOM 942 CG LEU B 7 8.623 3.974 -3.501 1.00 0.00 C ATOM 943 CD1 LEU B 7 9.195 3.461 -2.177 1.00 0.00 C ATOM 944 CD2 LEU B 7 8.444 5.486 -3.383 1.00 0.00 C ATOM 0 H LEU B 7 11.617 2.558 -4.388 1.00 0.00 H new ATOM 0 HA LEU B 7 8.997 1.605 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU B 7 10.470 4.101 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU B 7 9.042 4.094 -5.604 1.00 0.00 H new ATOM 0 HG LEU B 7 7.674 3.465 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU B 7 8.524 3.732 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU B 7 9.295 2.376 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU B 7 10.174 3.909 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.826 5.712 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU B 7 9.419 5.960 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.959 5.866 -4.282 1.00 0.00 H new ATOM 956 N TYR B 8 9.853 2.019 -7.366 1.00 0.00 N ATOM 957 CA TYR B 8 9.622 1.433 -8.696 1.00 0.00 C ATOM 958 C TYR B 8 9.539 -0.095 -8.673 1.00 0.00 C ATOM 959 O TYR B 8 8.545 -0.681 -9.105 1.00 0.00 O ATOM 960 CB TYR B 8 10.739 1.922 -9.626 1.00 0.00 C ATOM 961 CG TYR B 8 10.366 2.057 -11.092 1.00 0.00 C ATOM 962 CD1 TYR B 8 10.219 0.911 -11.901 1.00 0.00 C ATOM 963 CD2 TYR B 8 10.183 3.337 -11.658 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.912 1.045 -13.269 1.00 0.00 C ATOM 965 CE2 TYR B 8 9.868 3.474 -13.024 1.00 0.00 C ATOM 966 CZ TYR B 8 9.735 2.327 -13.837 1.00 0.00 C ATOM 967 OH TYR B 8 9.436 2.446 -15.159 1.00 0.00 O ATOM 0 H TYR B 8 10.599 2.714 -7.347 1.00 0.00 H new ATOM 0 HA TYR B 8 8.649 1.762 -9.062 1.00 0.00 H new ATOM 0 HB2 TYR B 8 11.086 2.891 -9.268 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.580 1.233 -9.546 1.00 0.00 H new ATOM 0 HD1 TYR B 8 10.342 -0.072 -11.470 1.00 0.00 H new ATOM 0 HD2 TYR B 8 10.285 4.217 -11.040 1.00 0.00 H new ATOM 0 HE1 TYR B 8 9.811 0.165 -13.886 1.00 0.00 H new ATOM 0 HE2 TYR B 8 9.728 4.457 -13.450 1.00 0.00 H new ATOM 0 HH TYR B 8 9.346 3.394 -15.390 1.00 0.00 H new ATOM 977 N LYS B 9 10.547 -0.736 -8.082 1.00 0.00 N ATOM 978 CA LYS B 9 10.630 -2.201 -7.885 1.00 0.00 C ATOM 979 C LYS B 9 9.608 -2.797 -6.885 1.00 0.00 C ATOM 980 O LYS B 9 9.627 -4.005 -6.649 1.00 0.00 O ATOM 981 CB LYS B 9 12.087 -2.605 -7.571 1.00 0.00 C ATOM 982 CG LYS B 9 12.958 -2.843 -8.823 1.00 0.00 C ATOM 983 CD LYS B 9 13.103 -1.644 -9.775 1.00 0.00 C ATOM 984 CE LYS B 9 14.041 -1.995 -10.937 1.00 0.00 C ATOM 985 NZ LYS B 9 14.176 -0.864 -11.896 1.00 0.00 N ATOM 0 H LYS B 9 11.359 -0.243 -7.712 1.00 0.00 H new ATOM 0 HA LYS B 9 10.329 -2.654 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.547 -1.825 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.079 -3.513 -6.969 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.953 -3.147 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.536 -3.678 -9.382 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.125 -1.358 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.494 -0.784 -9.231 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.023 -2.259 -10.545 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.660 -2.872 -11.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.817 -1.138 -12.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.242 -0.629 -12.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.563 -0.034 -11.402 1.00 0.00 H new ATOM 999 N LEU B 10 8.669 -1.996 -6.373 1.00 0.00 N ATOM 1000 CA LEU B 10 7.501 -2.420 -5.586 1.00 0.00 C ATOM 1001 C LEU B 10 6.179 -2.054 -6.288 1.00 0.00 C ATOM 1002 O LEU B 10 5.289 -2.897 -6.384 1.00 0.00 O ATOM 1003 CB LEU B 10 7.548 -1.768 -4.185 1.00 0.00 C ATOM 1004 CG LEU B 10 8.651 -2.272 -3.233 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.746 -1.343 -2.020 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.377 -3.682 -2.719 1.00 0.00 C ATOM 0 H LEU B 10 8.702 -0.985 -6.501 1.00 0.00 H new ATOM 0 HA LEU B 10 7.539 -3.505 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.671 -0.692 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.583 -1.923 -3.703 1.00 0.00 H new ATOM 0 HG LEU B 10 9.580 -2.283 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.526 -1.701 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.988 -0.334 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.791 -1.332 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU B 10 9.183 -3.990 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.432 -3.694 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.319 -4.371 -3.561 1.00 0.00 H new ATOM 1018 N GLU B 11 6.046 -0.833 -6.823 1.00 0.00 N ATOM 1019 CA GLU B 11 4.811 -0.356 -7.463 1.00 0.00 C ATOM 1020 C GLU B 11 4.574 -1.057 -8.810 1.00 0.00 C ATOM 1021 O GLU B 11 3.478 -1.559 -9.065 1.00 0.00 O ATOM 1022 CB GLU B 11 4.879 1.175 -7.650 1.00 0.00 C ATOM 1023 CG GLU B 11 4.777 1.991 -6.345 1.00 0.00 C ATOM 1024 CD GLU B 11 3.336 2.119 -5.832 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.482 1.216 -5.784 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.739 3.181 -5.576 1.00 0.00 O ATOM 0 H GLU B 11 6.797 -0.143 -6.824 1.00 0.00 H new ATOM 0 HA GLU B 11 3.969 -0.600 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.817 1.425 -8.146 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.074 1.482 -8.318 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.390 1.518 -5.578 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.188 2.987 -6.512 1.00 0.00 H new ATOM 1033 N GLN B 12 5.608 -1.172 -9.653 1.00 0.00 N ATOM 1034 CA GLN B 12 5.547 -1.927 -10.903 1.00 0.00 C ATOM 1035 C GLN B 12 5.386 -3.437 -10.680 1.00 0.00 C ATOM 1036 O GLN B 12 4.660 -4.099 -11.423 1.00 0.00 O ATOM 1037 CB GLN B 12 6.818 -1.616 -11.707 1.00 0.00 C ATOM 1038 CG GLN B 12 6.477 -1.154 -13.115 1.00 0.00 C ATOM 1039 CD GLN B 12 6.090 -2.282 -14.074 1.00 0.00 C ATOM 1040 OE1 GLN B 12 6.720 -3.329 -14.149 1.00 0.00 O ATOM 1041 NE2 GLN B 12 5.041 -2.114 -14.854 1.00 0.00 N ATOM 0 H GLN B 12 6.516 -0.739 -9.482 1.00 0.00 H new ATOM 0 HA GLN B 12 4.660 -1.620 -11.457 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.394 -0.844 -11.197 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.448 -2.504 -11.755 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.654 -0.441 -13.061 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.334 -0.621 -13.527 1.00 0.00 H new ATOM 0 HE21 GLN B 12 4.503 -1.249 -14.806 1.00 0.00 H new ATOM 0 HE22 GLN B 12 4.767 -2.849 -15.505 1.00 0.00 H new ATOM 1050 N GLN B 13 6.006 -3.971 -9.622 1.00 0.00 N ATOM 1051 CA GLN B 13 5.825 -5.354 -9.185 1.00 0.00 C ATOM 1052 C GLN B 13 4.353 -5.651 -8.859 1.00 0.00 C ATOM 1053 O GLN B 13 3.784 -6.601 -9.396 1.00 0.00 O ATOM 1054 CB GLN B 13 6.762 -5.647 -8.011 1.00 0.00 C ATOM 1055 CG GLN B 13 7.946 -6.547 -8.400 1.00 0.00 C ATOM 1056 CD GLN B 13 7.532 -7.959 -8.817 1.00 0.00 C ATOM 1057 OE1 GLN B 13 6.738 -8.628 -8.169 1.00 0.00 O ATOM 1058 NE2 GLN B 13 8.043 -8.471 -9.918 1.00 0.00 N ATOM 0 H GLN B 13 6.656 -3.444 -9.039 1.00 0.00 H new ATOM 0 HA GLN B 13 6.091 -6.027 -10.000 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.143 -4.706 -7.613 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.196 -6.125 -7.212 1.00 0.00 H new ATOM 0 HG2 GLN B 13 8.492 -6.081 -9.220 1.00 0.00 H new ATOM 0 HG3 GLN B 13 8.633 -6.613 -7.557 1.00 0.00 H new ATOM 0 HE21 GLN B 13 8.706 -7.929 -10.472 1.00 0.00 H new ATOM 0 HE22 GLN B 13 7.775 -9.409 -10.216 1.00 0.00 H new ATOM 1067 N ALA B 14 3.706 -4.792 -8.063 1.00 0.00 N ATOM 1068 CA ALA B 14 2.275 -4.889 -7.776 1.00 0.00 C ATOM 1069 C ALA B 14 1.406 -4.778 -9.046 1.00 0.00 C ATOM 1070 O ALA B 14 0.524 -5.609 -9.253 1.00 0.00 O ATOM 1071 CB ALA B 14 1.915 -3.826 -6.730 1.00 0.00 C ATOM 0 H ALA B 14 4.164 -4.008 -7.599 1.00 0.00 H new ATOM 0 HA ALA B 14 2.060 -5.879 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA B 14 0.850 -3.884 -6.504 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.489 -4.001 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.149 -2.836 -7.122 1.00 0.00 H new ATOM 1077 N MET B 15 1.674 -3.814 -9.940 1.00 0.00 N ATOM 1078 CA MET B 15 0.935 -3.650 -11.207 1.00 0.00 C ATOM 1079 C MET B 15 0.899 -4.913 -12.067 1.00 0.00 C ATOM 1080 O MET B 15 -0.171 -5.335 -12.515 1.00 0.00 O ATOM 1081 CB MET B 15 1.559 -2.522 -12.047 1.00 0.00 C ATOM 1082 CG MET B 15 1.222 -1.125 -11.527 1.00 0.00 C ATOM 1083 SD MET B 15 0.537 -0.016 -12.789 1.00 0.00 S ATOM 1084 CE MET B 15 -1.026 -0.877 -13.125 1.00 0.00 C ATOM 0 H MET B 15 2.412 -3.122 -9.807 1.00 0.00 H new ATOM 0 HA MET B 15 -0.089 -3.413 -10.917 1.00 0.00 H new ATOM 0 HB2 MET B 15 2.642 -2.645 -12.061 1.00 0.00 H new ATOM 0 HB3 MET B 15 1.214 -2.612 -13.077 1.00 0.00 H new ATOM 0 HG2 MET B 15 0.507 -1.215 -10.710 1.00 0.00 H new ATOM 0 HG3 MET B 15 2.124 -0.675 -11.113 1.00 0.00 H new ATOM 0 HE1 MET B 15 -1.716 -0.197 -13.624 1.00 0.00 H new ATOM 0 HE2 MET B 15 -0.837 -1.738 -13.767 1.00 0.00 H new ATOM 0 HE3 MET B 15 -1.465 -1.214 -12.186 1.00 0.00 H new ATOM 1094 N LYS B 16 2.066 -5.529 -12.273 1.00 0.00 N ATOM 1095 CA LYS B 16 2.242 -6.719 -13.115 1.00 0.00 C ATOM 1096 C LYS B 16 1.401 -7.907 -12.650 1.00 0.00 C ATOM 1097 O LYS B 16 0.915 -8.682 -13.469 1.00 0.00 O ATOM 1098 CB LYS B 16 3.734 -7.063 -13.106 1.00 0.00 C ATOM 1099 CG LYS B 16 4.158 -7.878 -14.339 1.00 0.00 C ATOM 1100 CD LYS B 16 5.688 -7.950 -14.452 1.00 0.00 C ATOM 1101 CE LYS B 16 6.091 -8.657 -15.754 1.00 0.00 C ATOM 1102 NZ LYS B 16 7.564 -8.645 -15.952 1.00 0.00 N ATOM 0 H LYS B 16 2.937 -5.208 -11.850 1.00 0.00 H new ATOM 0 HA LYS B 16 1.894 -6.500 -14.125 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.316 -6.142 -13.066 1.00 0.00 H new ATOM 0 HB3 LYS B 16 3.968 -7.627 -12.203 1.00 0.00 H new ATOM 0 HG2 LYS B 16 3.747 -8.885 -14.272 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.744 -7.424 -15.239 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.109 -6.945 -14.430 1.00 0.00 H new ATOM 0 HD3 LYS B 16 6.098 -8.486 -13.596 1.00 0.00 H new ATOM 0 HE2 LYS B 16 5.735 -9.687 -15.734 1.00 0.00 H new ATOM 0 HE3 LYS B 16 5.606 -8.168 -16.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 7.799 -9.131 -16.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 7.900 -7.662 -15.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 8.025 -9.134 -15.158 1.00 0.00 H new ATOM 1116 N LEU B 17 1.199 -8.015 -11.337 1.00 0.00 N ATOM 1117 CA LEU B 17 0.410 -9.044 -10.678 1.00 0.00 C ATOM 1118 C LEU B 17 -1.069 -8.713 -10.664 1.00 0.00 C ATOM 1119 O LEU B 17 -1.896 -9.609 -10.828 1.00 0.00 O ATOM 1120 CB LEU B 17 0.870 -9.118 -9.223 1.00 0.00 C ATOM 1121 CG LEU B 17 2.314 -9.578 -9.111 1.00 0.00 C ATOM 1122 CD1 LEU B 17 2.788 -9.352 -7.680 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.479 -11.042 -9.516 1.00 0.00 C ATOM 0 H LEU B 17 1.603 -7.352 -10.675 1.00 0.00 H new ATOM 0 HA LEU B 17 0.551 -9.979 -11.220 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.763 -8.138 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.226 -9.804 -8.673 1.00 0.00 H new ATOM 0 HG LEU B 17 2.925 -8.995 -9.801 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.824 -9.678 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.717 -8.292 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.163 -9.924 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.526 -11.330 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.870 -11.670 -8.866 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.159 -11.172 -10.550 1.00 0.00 H new ATOM 1135 N TYR B 18 -1.401 -7.440 -10.449 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.794 -7.037 -10.317 1.00 0.00 C ATOM 1137 C TYR B 18 -3.540 -7.269 -11.635 1.00 0.00 C ATOM 1138 O TYR B 18 -4.640 -7.821 -11.638 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.870 -5.577 -9.852 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.944 -5.375 -8.346 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.935 -6.043 -7.597 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -2.057 -4.497 -7.693 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -4.013 -5.878 -6.202 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -2.126 -4.331 -6.295 1.00 0.00 C ATOM 1145 CZ TYR B 18 -3.094 -5.035 -5.545 1.00 0.00 C ATOM 1146 OH TYR B 18 -3.138 -4.901 -4.192 1.00 0.00 O ATOM 0 H TYR B 18 -0.728 -6.678 -10.364 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.285 -7.649 -9.560 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.996 -5.047 -10.230 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.745 -5.114 -10.307 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.641 -6.688 -8.099 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.322 -3.950 -8.265 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.774 -6.395 -5.637 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.438 -3.665 -5.797 1.00 0.00 H new ATOM 0 HH TYR B 18 -3.474 -5.730 -3.792 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.900 -6.942 -12.765 1.00 0.00 N ATOM 1157 CA ARG B 19 -3.419 -7.247 -14.111 1.00 0.00 C ATOM 1158 C ARG B 19 -3.484 -8.750 -14.410 1.00 0.00 C ATOM 1159 O ARG B 19 -4.444 -9.193 -15.034 1.00 0.00 O ATOM 1160 CB ARG B 19 -2.652 -6.456 -15.189 1.00 0.00 C ATOM 1161 CG ARG B 19 -1.234 -6.974 -15.477 1.00 0.00 C ATOM 1162 CD ARG B 19 -0.509 -6.092 -16.497 1.00 0.00 C ATOM 1163 NE ARG B 19 0.740 -6.731 -16.958 1.00 0.00 N ATOM 1164 CZ ARG B 19 1.573 -6.261 -17.870 1.00 0.00 C ATOM 1165 NH1 ARG B 19 1.416 -5.087 -18.414 1.00 0.00 N ATOM 1166 NH2 ARG B 19 2.589 -6.973 -18.263 1.00 0.00 N ATOM 0 H ARG B 19 -2.003 -6.456 -12.775 1.00 0.00 H new ATOM 0 HA ARG B 19 -4.456 -6.913 -14.135 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -3.227 -6.478 -16.115 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -2.587 -5.413 -14.878 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.662 -7.005 -14.550 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -1.288 -7.996 -15.852 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -1.162 -5.905 -17.350 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -0.283 -5.124 -16.050 1.00 0.00 H new ATOM 0 HE ARG B 19 0.984 -7.624 -16.530 1.00 0.00 H new ATOM 0 HH11 ARG B 19 0.630 -4.498 -18.139 1.00 0.00 H new ATOM 0 HH12 ARG B 19 2.079 -4.757 -19.115 1.00 0.00 H new ATOM 0 HH21 ARG B 19 2.746 -7.900 -17.867 1.00 0.00 H new ATOM 0 HH22 ARG B 19 3.228 -6.604 -18.967 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.517 -9.541 -13.930 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.461 -10.998 -14.139 1.00 0.00 C ATOM 1182 C GLU B 20 -3.708 -11.688 -13.580 1.00 0.00 C ATOM 1183 O GLU B 20 -4.383 -12.456 -14.269 1.00 0.00 O ATOM 1184 CB GLU B 20 -1.218 -11.565 -13.429 1.00 0.00 C ATOM 1185 CG GLU B 20 -0.761 -12.938 -13.940 1.00 0.00 C ATOM 1186 CD GLU B 20 -0.115 -12.858 -15.339 1.00 0.00 C ATOM 1187 OE1 GLU B 20 -0.844 -12.975 -16.354 1.00 0.00 O ATOM 1188 OE2 GLU B 20 1.126 -12.701 -15.433 1.00 0.00 O ATOM 0 H GLU B 20 -1.738 -9.184 -13.377 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.411 -11.186 -15.211 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.396 -10.858 -13.543 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.428 -11.641 -12.362 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -0.047 -13.365 -13.236 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -1.616 -13.613 -13.975 1.00 0.00 H new ATOM 1195 N ALA B 21 -4.026 -11.363 -12.326 1.00 0.00 N ATOM 1196 CA ALA B 21 -5.253 -11.821 -11.677 1.00 0.00 C ATOM 1197 C ALA B 21 -6.521 -11.173 -12.259 1.00 0.00 C ATOM 1198 O ALA B 21 -7.498 -11.883 -12.480 1.00 0.00 O ATOM 1199 CB ALA B 21 -5.154 -11.593 -10.172 1.00 0.00 C ATOM 0 H ALA B 21 -3.440 -10.775 -11.733 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.350 -12.888 -11.875 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -6.070 -11.935 -9.691 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -4.306 -12.150 -9.775 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -5.015 -10.530 -9.973 1.00 0.00 H new ATOM 1205 N SER B 22 -6.530 -9.868 -12.559 1.00 0.00 N ATOM 1206 CA SER B 22 -7.704 -9.180 -13.134 1.00 0.00 C ATOM 1207 C SER B 22 -8.212 -9.849 -14.414 1.00 0.00 C ATOM 1208 O SER B 22 -9.403 -10.129 -14.555 1.00 0.00 O ATOM 1209 CB SER B 22 -7.365 -7.723 -13.457 1.00 0.00 C ATOM 1210 OG SER B 22 -8.550 -6.962 -13.588 1.00 0.00 O ATOM 0 H SER B 22 -5.727 -9.256 -12.412 1.00 0.00 H new ATOM 0 HA SER B 22 -8.489 -9.237 -12.380 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.741 -7.304 -12.668 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.788 -7.673 -14.380 1.00 0.00 H new ATOM 0 HG SER B 22 -8.320 -6.032 -13.793 1.00 0.00 H new ATOM 1216 N GLU B 23 -7.282 -10.193 -15.306 1.00 0.00 N ATOM 1217 CA GLU B 23 -7.525 -10.908 -16.571 1.00 0.00 C ATOM 1218 C GLU B 23 -8.069 -12.352 -16.421 1.00 0.00 C ATOM 1219 O GLU B 23 -8.390 -12.989 -17.430 1.00 0.00 O ATOM 1220 CB GLU B 23 -6.233 -10.896 -17.414 1.00 0.00 C ATOM 1221 CG GLU B 23 -5.883 -9.510 -17.981 1.00 0.00 C ATOM 1222 CD GLU B 23 -6.830 -9.098 -19.125 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -6.571 -9.467 -20.297 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -7.837 -8.393 -18.867 1.00 0.00 O ATOM 0 H GLU B 23 -6.296 -9.974 -15.166 1.00 0.00 H new ATOM 0 HA GLU B 23 -8.327 -10.368 -17.074 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -5.404 -11.248 -16.800 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -6.340 -11.601 -18.239 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -5.934 -8.769 -17.184 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -4.856 -9.516 -18.345 1.00 0.00 H new ATOM 1231 N ARG B 24 -8.223 -12.868 -15.189 1.00 0.00 N ATOM 1232 CA ARG B 24 -8.781 -14.201 -14.878 1.00 0.00 C ATOM 1233 C ARG B 24 -9.956 -14.151 -13.888 1.00 0.00 C ATOM 1234 O ARG B 24 -10.935 -14.876 -14.058 1.00 0.00 O ATOM 1235 CB ARG B 24 -7.636 -15.091 -14.351 1.00 0.00 C ATOM 1236 CG ARG B 24 -8.018 -16.580 -14.277 1.00 0.00 C ATOM 1237 CD ARG B 24 -6.931 -17.434 -13.608 1.00 0.00 C ATOM 1238 NE ARG B 24 -5.652 -17.404 -14.352 1.00 0.00 N ATOM 1239 CZ ARG B 24 -4.470 -17.002 -13.915 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -4.284 -16.551 -12.706 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -3.433 -17.050 -14.700 1.00 0.00 N ATOM 0 H ARG B 24 -7.954 -12.352 -14.351 1.00 0.00 H new ATOM 0 HA ARG B 24 -9.200 -14.622 -15.792 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -6.767 -14.976 -14.998 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.343 -14.747 -13.359 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -8.951 -16.685 -13.723 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -8.202 -16.955 -15.284 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.766 -17.076 -12.592 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -7.279 -18.464 -13.530 1.00 0.00 H new ATOM 0 HE ARG B 24 -5.686 -17.733 -15.317 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -5.068 -16.498 -12.055 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -3.355 -16.251 -12.411 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -3.531 -17.398 -15.654 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -2.522 -16.740 -14.361 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.874 -13.288 -12.873 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.863 -13.125 -11.791 1.00 0.00 C ATOM 1257 C VAL B 25 -12.018 -12.203 -12.210 1.00 0.00 C ATOM 1258 O VAL B 25 -13.173 -12.467 -11.874 1.00 0.00 O ATOM 1259 CB VAL B 25 -10.161 -12.597 -10.522 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -11.123 -12.347 -9.357 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -9.095 -13.585 -10.019 1.00 0.00 C ATOM 0 H VAL B 25 -9.083 -12.652 -12.773 1.00 0.00 H new ATOM 0 HA VAL B 25 -11.301 -14.100 -11.575 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.712 -11.652 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -10.565 -11.977 -8.497 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -11.867 -11.607 -9.652 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -11.623 -13.279 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -8.620 -13.183 -9.124 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -9.566 -14.539 -9.782 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -8.343 -13.734 -10.794 1.00 0.00 H new ATOM 1271 N GLY B 26 -11.732 -11.145 -12.980 1.00 0.00 N ATOM 1272 CA GLY B 26 -12.728 -10.267 -13.611 1.00 0.00 C ATOM 1273 C GLY B 26 -13.495 -9.300 -12.689 1.00 0.00 C ATOM 1274 O GLY B 26 -14.361 -8.573 -13.179 1.00 0.00 O ATOM 0 H GLY B 26 -10.773 -10.868 -13.188 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -12.223 -9.677 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.457 -10.895 -14.124 1.00 0.00 H new ATOM 1278 N ASP B 27 -13.219 -9.266 -11.379 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.882 -8.342 -10.441 1.00 0.00 C ATOM 1280 C ASP B 27 -13.529 -6.863 -10.727 1.00 0.00 C ATOM 1281 O ASP B 27 -12.354 -6.543 -10.942 1.00 0.00 O ATOM 1282 CB ASP B 27 -13.532 -8.700 -8.985 1.00 0.00 C ATOM 1283 CG ASP B 27 -14.458 -9.788 -8.413 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -15.692 -9.567 -8.369 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -13.958 -10.850 -7.973 1.00 0.00 O ATOM 0 H ASP B 27 -12.531 -9.876 -10.937 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.956 -8.457 -10.589 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.498 -9.043 -8.936 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.601 -7.805 -8.366 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.506 -5.933 -10.698 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.292 -4.549 -11.124 1.00 0.00 C ATOM 1292 C PRO B 28 -13.407 -3.741 -10.165 1.00 0.00 C ATOM 1293 O PRO B 28 -12.596 -2.936 -10.624 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.693 -3.941 -11.264 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.548 -4.768 -10.306 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.912 -6.154 -10.385 1.00 0.00 C ATOM 0 HA PRO B 28 -13.741 -4.523 -12.064 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.699 -2.885 -10.995 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.059 -4.011 -12.288 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.519 -4.368 -9.292 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.594 -4.786 -10.612 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -16.022 -6.688 -9.441 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.392 -6.761 -11.153 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.496 -3.955 -8.844 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.645 -3.219 -7.885 1.00 0.00 C ATOM 1306 C VAL B 29 -11.169 -3.647 -7.952 1.00 0.00 C ATOM 1307 O VAL B 29 -10.278 -2.850 -7.669 1.00 0.00 O ATOM 1308 CB VAL B 29 -13.240 -3.209 -6.459 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.928 -4.443 -5.605 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -12.774 -1.971 -5.693 1.00 0.00 C ATOM 0 H VAL B 29 -14.138 -4.621 -8.415 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.643 -2.175 -8.198 1.00 0.00 H new ATOM 0 HB VAL B 29 -14.318 -3.207 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -13.392 -4.334 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -13.321 -5.334 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.849 -4.540 -5.487 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -13.203 -1.980 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -11.686 -1.975 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -13.100 -1.074 -6.219 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.883 -4.862 -8.436 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.531 -5.324 -8.770 1.00 0.00 C ATOM 1322 C LEU B 30 -8.915 -4.485 -9.910 1.00 0.00 C ATOM 1323 O LEU B 30 -7.769 -4.039 -9.812 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.622 -6.829 -9.123 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.450 -7.686 -8.623 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -8.730 -9.163 -8.908 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -7.121 -7.325 -9.280 1.00 0.00 C ATOM 0 H LEU B 30 -11.601 -5.566 -8.610 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.862 -5.193 -7.919 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -10.547 -7.229 -8.708 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -9.689 -6.929 -10.206 1.00 0.00 H new ATOM 0 HG LEU B 30 -8.365 -7.492 -7.554 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -7.896 -9.767 -8.551 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -9.643 -9.466 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -8.852 -9.310 -9.981 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -6.333 -7.966 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -7.197 -7.468 -10.358 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -6.881 -6.283 -9.068 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.698 -4.179 -10.950 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.303 -3.230 -11.992 1.00 0.00 C ATOM 1341 C ALA B 31 -9.175 -1.788 -11.453 1.00 0.00 C ATOM 1342 O ALA B 31 -8.232 -1.083 -11.811 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.294 -3.322 -13.159 1.00 0.00 C ATOM 0 H ALA B 31 -10.624 -4.583 -11.092 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.309 -3.499 -12.350 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.005 -2.617 -13.938 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.286 -4.334 -13.564 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.296 -3.080 -12.805 1.00 0.00 H new ATOM 1349 N LYS B 32 -10.061 -1.347 -10.545 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.966 -0.018 -9.903 1.00 0.00 C ATOM 1351 C LYS B 32 -8.671 0.170 -9.104 1.00 0.00 C ATOM 1352 O LYS B 32 -8.093 1.255 -9.138 1.00 0.00 O ATOM 1353 CB LYS B 32 -11.181 0.261 -9.001 1.00 0.00 C ATOM 1354 CG LYS B 32 -12.520 0.332 -9.758 1.00 0.00 C ATOM 1355 CD LYS B 32 -12.992 1.760 -10.075 1.00 0.00 C ATOM 1356 CE LYS B 32 -12.022 2.536 -10.976 1.00 0.00 C ATOM 1357 NZ LYS B 32 -12.540 3.895 -11.290 1.00 0.00 N ATOM 0 H LYS B 32 -10.862 -1.897 -10.234 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.955 0.704 -10.720 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.245 -0.520 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -11.022 1.203 -8.476 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -12.426 -0.223 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -13.286 -0.168 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -13.968 1.713 -10.559 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -13.125 2.306 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.053 2.619 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -11.862 1.983 -11.902 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.861 4.393 -11.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -13.453 3.814 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -12.669 4.430 -10.407 1.00 0.00 H new ATOM 1371 N ILE B 33 -8.183 -0.881 -8.442 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.895 -0.855 -7.731 1.00 0.00 C ATOM 1373 C ILE B 33 -5.737 -0.584 -8.709 1.00 0.00 C ATOM 1374 O ILE B 33 -4.951 0.337 -8.490 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.702 -2.160 -6.935 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.629 -2.089 -5.705 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -5.243 -2.379 -6.498 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.787 -3.426 -4.991 1.00 0.00 C ATOM 0 H ILE B 33 -8.667 -1.777 -8.381 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.897 -0.034 -7.014 1.00 0.00 H new ATOM 0 HB ILE B 33 -6.952 -3.008 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.234 -1.355 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.611 -1.734 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -5.166 -3.313 -5.941 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.603 -2.428 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.925 -1.551 -5.864 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -8.451 -3.305 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -8.210 -4.158 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.812 -3.772 -4.647 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.636 -1.341 -9.810 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.527 -1.190 -10.768 1.00 0.00 C ATOM 1392 C LEU B 34 -4.604 0.107 -11.597 1.00 0.00 C ATOM 1393 O LEU B 34 -3.576 0.641 -12.005 1.00 0.00 O ATOM 1394 CB LEU B 34 -4.365 -2.482 -11.597 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.227 -2.629 -12.864 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -4.549 -2.059 -14.113 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -5.500 -4.109 -13.141 1.00 0.00 C ATOM 0 H LEU B 34 -6.309 -2.065 -10.061 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.603 -1.060 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.319 -2.563 -11.891 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.579 -3.329 -10.945 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.144 -2.073 -12.671 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.204 -2.191 -14.975 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.351 -0.997 -13.967 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.609 -2.583 -14.288 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.110 -4.205 -14.039 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.555 -4.632 -13.287 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.029 -4.546 -12.294 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.801 0.666 -11.789 1.00 0.00 N ATOM 1410 CA GLU B 35 -6.032 1.964 -12.403 1.00 0.00 C ATOM 1411 C GLU B 35 -5.392 3.109 -11.607 1.00 0.00 C ATOM 1412 O GLU B 35 -4.889 4.064 -12.204 1.00 0.00 O ATOM 1413 CB GLU B 35 -7.543 2.157 -12.477 1.00 0.00 C ATOM 1414 CG GLU B 35 -8.146 1.597 -13.764 1.00 0.00 C ATOM 1415 CD GLU B 35 -8.016 2.587 -14.937 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -8.918 3.447 -15.110 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -7.020 2.515 -15.691 1.00 0.00 O ATOM 0 H GLU B 35 -6.666 0.204 -11.508 1.00 0.00 H new ATOM 0 HA GLU B 35 -5.573 1.986 -13.391 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.010 1.671 -11.620 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.773 3.220 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -7.648 0.662 -14.021 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -9.198 1.364 -13.601 1.00 0.00 H new ATOM 1424 N ASP B 36 -5.368 3.012 -10.272 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.660 3.957 -9.422 1.00 0.00 C ATOM 1426 C ASP B 36 -3.131 3.801 -9.536 1.00 0.00 C ATOM 1427 O ASP B 36 -2.411 4.793 -9.653 1.00 0.00 O ATOM 1428 CB ASP B 36 -5.069 3.715 -7.972 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.546 3.962 -7.635 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -7.199 4.837 -8.252 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -7.029 3.290 -6.690 1.00 0.00 O ATOM 0 H ASP B 36 -5.843 2.271 -9.756 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.923 4.964 -9.745 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -4.827 2.684 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.460 4.354 -7.333 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.618 2.563 -9.535 1.00 0.00 N ATOM 1437 CA GLU B 37 -1.170 2.295 -9.592 1.00 0.00 C ATOM 1438 C GLU B 37 -0.497 2.805 -10.880 1.00 0.00 C ATOM 1439 O GLU B 37 0.695 3.103 -10.872 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.864 0.795 -9.431 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.362 0.114 -8.149 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.727 0.619 -6.852 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.064 1.590 -6.819 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -1.046 0.091 -5.759 1.00 0.00 O ATOM 0 H GLU B 37 -3.191 1.720 -9.495 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.751 2.853 -8.754 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -1.294 0.269 -10.283 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.216 0.662 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.442 0.248 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -1.178 -0.957 -8.231 1.00 0.00 H new ATOM 1451 N GLU B 38 -1.250 2.975 -11.971 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.770 3.590 -13.218 1.00 0.00 C ATOM 1453 C GLU B 38 -0.234 5.015 -12.999 1.00 0.00 C ATOM 1454 O GLU B 38 0.836 5.381 -13.491 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.938 3.628 -14.207 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.499 3.976 -15.636 1.00 0.00 C ATOM 1457 CD GLU B 38 -2.704 4.059 -16.592 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -3.571 4.944 -16.391 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -2.780 3.258 -17.557 1.00 0.00 O ATOM 0 H GLU B 38 -2.227 2.685 -12.016 1.00 0.00 H new ATOM 0 HA GLU B 38 0.058 2.994 -13.603 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.436 2.658 -14.211 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -2.670 4.361 -13.869 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.969 4.929 -15.633 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -0.799 3.223 -15.996 1.00 0.00 H new ATOM 1466 N LYS B 39 -0.962 5.813 -12.206 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.511 7.150 -11.777 1.00 0.00 C ATOM 1468 C LYS B 39 0.757 7.052 -10.920 1.00 0.00 C ATOM 1469 O LYS B 39 1.701 7.816 -11.109 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.597 7.893 -10.978 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.763 8.514 -11.767 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.841 7.531 -12.249 1.00 0.00 C ATOM 1473 CE LYS B 39 -3.613 7.091 -13.699 1.00 0.00 C ATOM 1474 NZ LYS B 39 -4.668 6.149 -14.147 1.00 0.00 N ATOM 0 H LYS B 39 -1.879 5.553 -11.843 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.298 7.713 -12.686 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -2.016 7.196 -10.252 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.112 8.689 -10.412 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -3.240 9.269 -11.141 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.355 9.031 -12.635 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -3.847 6.654 -11.601 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -4.822 7.998 -12.162 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -3.603 7.965 -14.350 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -2.636 6.616 -13.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -4.377 5.700 -15.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -4.811 5.417 -13.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -5.557 6.668 -14.295 1.00 0.00 H new ATOM 1488 N HIS B 40 0.801 6.078 -10.006 1.00 0.00 N ATOM 1489 CA HIS B 40 1.858 5.893 -9.007 1.00 0.00 C ATOM 1490 C HIS B 40 3.231 5.485 -9.559 1.00 0.00 C ATOM 1491 O HIS B 40 4.193 5.470 -8.798 1.00 0.00 O ATOM 1492 CB HIS B 40 1.443 4.789 -8.036 1.00 0.00 C ATOM 1493 CG HIS B 40 0.266 5.021 -7.130 1.00 0.00 C ATOM 1494 ND1 HIS B 40 -0.017 4.215 -6.019 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.703 5.970 -7.260 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -1.171 4.707 -5.520 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.600 5.752 -6.247 1.00 0.00 N ATOM 0 H HIS B 40 0.072 5.368 -9.939 1.00 0.00 H new ATOM 0 HA HIS B 40 1.970 6.874 -8.546 1.00 0.00 H new ATOM 0 HB2 HIS B 40 1.235 3.895 -8.624 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.304 4.564 -7.406 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.754 6.742 -8.013 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.681 4.313 -4.653 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -2.448 6.291 -6.075 1.00 0.00 H new ATOM 1505 N ILE B 41 3.329 5.142 -10.845 1.00 0.00 N ATOM 1506 CA ILE B 41 4.560 4.732 -11.542 1.00 0.00 C ATOM 1507 C ILE B 41 4.934 5.761 -12.624 1.00 0.00 C ATOM 1508 O ILE B 41 6.113 6.058 -12.810 1.00 0.00 O ATOM 1509 CB ILE B 41 4.404 3.292 -12.095 1.00 0.00 C ATOM 1510 CG1 ILE B 41 5.705 2.691 -12.657 1.00 0.00 C ATOM 1511 CG2 ILE B 41 3.342 3.165 -13.195 1.00 0.00 C ATOM 1512 CD1 ILE B 41 6.747 2.417 -11.576 1.00 0.00 C ATOM 0 H ILE B 41 2.517 5.141 -11.462 1.00 0.00 H new ATOM 0 HA ILE B 41 5.392 4.710 -10.838 1.00 0.00 H new ATOM 0 HB ILE B 41 4.095 2.736 -11.210 1.00 0.00 H new ATOM 0 HG12 ILE B 41 5.475 1.761 -13.177 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.126 3.374 -13.395 1.00 0.00 H new ATOM 0 HG21 ILE B 41 3.290 2.130 -13.533 1.00 0.00 H new ATOM 0 HG22 ILE B 41 2.372 3.468 -12.801 1.00 0.00 H new ATOM 0 HG23 ILE B 41 3.609 3.807 -14.034 1.00 0.00 H new ATOM 0 HD11 ILE B 41 7.642 1.994 -12.032 1.00 0.00 H new ATOM 0 HD12 ILE B 41 7.002 3.349 -11.072 1.00 0.00 H new ATOM 0 HD13 ILE B 41 6.342 1.712 -10.850 1.00 0.00 H new ATOM 1524 N GLU B 42 3.940 6.398 -13.260 1.00 0.00 N ATOM 1525 CA GLU B 42 4.134 7.571 -14.121 1.00 0.00 C ATOM 1526 C GLU B 42 4.726 8.753 -13.333 1.00 0.00 C ATOM 1527 O GLU B 42 5.764 9.299 -13.714 1.00 0.00 O ATOM 1528 CB GLU B 42 2.788 7.947 -14.764 1.00 0.00 C ATOM 1529 CG GLU B 42 2.904 9.131 -15.732 1.00 0.00 C ATOM 1530 CD GLU B 42 1.557 9.421 -16.422 1.00 0.00 C ATOM 1531 OE1 GLU B 42 1.271 8.816 -17.485 1.00 0.00 O ATOM 1532 OE2 GLU B 42 0.780 10.270 -15.920 1.00 0.00 O ATOM 0 H GLU B 42 2.965 6.107 -13.189 1.00 0.00 H new ATOM 0 HA GLU B 42 4.851 7.325 -14.905 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.392 7.084 -15.298 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.072 8.193 -13.980 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.236 10.016 -15.190 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.662 8.916 -16.485 1.00 0.00 H new ATOM 1539 N TRP B 43 4.110 9.115 -12.200 1.00 0.00 N ATOM 1540 CA TRP B 43 4.611 10.165 -11.307 1.00 0.00 C ATOM 1541 C TRP B 43 5.928 9.778 -10.621 1.00 0.00 C ATOM 1542 O TRP B 43 6.766 10.646 -10.382 1.00 0.00 O ATOM 1543 CB TRP B 43 3.537 10.514 -10.264 1.00 0.00 C ATOM 1544 CG TRP B 43 2.237 11.064 -10.789 1.00 0.00 C ATOM 1545 CD1 TRP B 43 2.064 11.722 -11.961 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.914 11.026 -10.165 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.740 12.087 -12.105 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.014 11.699 -11.018 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.399 10.496 -8.959 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.368 11.855 -10.686 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -0.958 10.649 -8.611 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -1.840 11.332 -9.469 1.00 0.00 C ATOM 0 H TRP B 43 3.244 8.684 -11.876 1.00 0.00 H new ATOM 0 HA TRP B 43 4.826 11.042 -11.918 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.318 9.615 -9.687 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.959 11.242 -9.571 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.846 11.930 -12.676 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.366 12.582 -12.915 1.00 0.00 H new ATOM 0 HE3 TRP B 43 1.059 9.963 -8.291 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.040 12.370 -11.357 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.323 10.240 -7.681 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -2.877 11.454 -9.193 1.00 0.00 H new ATOM 1563 N LEU B 44 6.144 8.483 -10.351 1.00 0.00 N ATOM 1564 CA LEU B 44 7.388 7.951 -9.771 1.00 0.00 C ATOM 1565 C LEU B 44 8.616 8.356 -10.587 1.00 0.00 C ATOM 1566 O LEU B 44 9.565 8.930 -10.064 1.00 0.00 O ATOM 1567 CB LEU B 44 7.280 6.421 -9.737 1.00 0.00 C ATOM 1568 CG LEU B 44 7.941 5.718 -8.556 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.728 4.222 -8.679 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.427 6.020 -8.376 1.00 0.00 C ATOM 0 H LEU B 44 5.447 7.761 -10.533 1.00 0.00 H new ATOM 0 HA LEU B 44 7.512 8.362 -8.769 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.223 6.153 -9.745 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.716 6.028 -10.655 1.00 0.00 H new ATOM 0 HG LEU B 44 7.458 6.115 -7.663 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.200 3.717 -7.836 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.660 4.005 -8.680 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.171 3.867 -9.609 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.807 5.475 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.972 5.711 -9.268 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.564 7.090 -8.219 1.00 0.00 H new ATOM 1582 N GLU B 45 8.566 8.078 -11.887 1.00 0.00 N ATOM 1583 CA GLU B 45 9.636 8.375 -12.845 1.00 0.00 C ATOM 1584 C GLU B 45 9.996 9.870 -12.879 1.00 0.00 C ATOM 1585 O GLU B 45 11.174 10.230 -12.833 1.00 0.00 O ATOM 1586 CB GLU B 45 9.210 7.876 -14.233 1.00 0.00 C ATOM 1587 CG GLU B 45 10.407 7.730 -15.178 1.00 0.00 C ATOM 1588 CD GLU B 45 9.976 7.123 -16.527 1.00 0.00 C ATOM 1589 OE1 GLU B 45 9.896 5.874 -16.637 1.00 0.00 O ATOM 1590 OE2 GLU B 45 9.726 7.888 -17.491 1.00 0.00 O ATOM 0 H GLU B 45 7.759 7.627 -12.319 1.00 0.00 H new ATOM 0 HA GLU B 45 10.540 7.856 -12.526 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.706 6.915 -14.134 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.490 8.571 -14.664 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.865 8.705 -15.344 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.164 7.097 -14.716 1.00 0.00 H new ATOM 1597 N THR B 46 8.983 10.744 -12.879 1.00 0.00 N ATOM 1598 CA THR B 46 9.148 12.207 -12.752 1.00 0.00 C ATOM 1599 C THR B 46 9.808 12.597 -11.424 1.00 0.00 C ATOM 1600 O THR B 46 10.737 13.403 -11.395 1.00 0.00 O ATOM 1601 CB THR B 46 7.791 12.921 -12.876 1.00 0.00 C ATOM 1602 OG1 THR B 46 7.116 12.521 -14.050 1.00 0.00 O ATOM 1603 CG2 THR B 46 7.909 14.446 -12.920 1.00 0.00 C ATOM 0 H THR B 46 8.009 10.456 -12.968 1.00 0.00 H new ATOM 0 HA THR B 46 9.802 12.522 -13.565 1.00 0.00 H new ATOM 0 HB THR B 46 7.239 12.635 -11.981 1.00 0.00 H new ATOM 0 HG1 THR B 46 6.255 12.986 -14.107 1.00 0.00 H new ATOM 0 HG21 THR B 46 6.915 14.885 -13.008 1.00 0.00 H new ATOM 0 HG22 THR B 46 8.383 14.801 -12.005 1.00 0.00 H new ATOM 0 HG23 THR B 46 8.513 14.740 -13.779 1.00 0.00 H new ATOM 1611 N ILE B 47 9.363 11.997 -10.316 1.00 0.00 N ATOM 1612 CA ILE B 47 9.870 12.237 -8.952 1.00 0.00 C ATOM 1613 C ILE B 47 11.294 11.689 -8.717 1.00 0.00 C ATOM 1614 O ILE B 47 12.015 12.120 -7.814 1.00 0.00 O ATOM 1615 CB ILE B 47 8.797 11.731 -7.950 1.00 0.00 C ATOM 1616 CG1 ILE B 47 7.589 12.704 -7.967 1.00 0.00 C ATOM 1617 CG2 ILE B 47 9.317 11.568 -6.518 1.00 0.00 C ATOM 1618 CD1 ILE B 47 6.349 12.202 -7.214 1.00 0.00 C ATOM 0 H ILE B 47 8.613 11.306 -10.340 1.00 0.00 H new ATOM 0 HA ILE B 47 10.012 13.306 -8.791 1.00 0.00 H new ATOM 0 HB ILE B 47 8.501 10.734 -8.278 1.00 0.00 H new ATOM 0 HG12 ILE B 47 7.900 13.655 -7.534 1.00 0.00 H new ATOM 0 HG13 ILE B 47 7.313 12.901 -9.003 1.00 0.00 H new ATOM 0 HG21 ILE B 47 8.511 11.212 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.135 10.847 -6.508 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.676 12.529 -6.150 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.557 12.948 -7.280 1.00 0.00 H new ATOM 0 HD12 ILE B 47 6.006 11.268 -7.659 1.00 0.00 H new ATOM 0 HD13 ILE B 47 6.602 12.034 -6.167 1.00 0.00 H new ATOM 1630 N ASN B 48 11.730 10.806 -9.606 1.00 0.00 N ATOM 1631 CA ASN B 48 13.042 10.145 -9.644 1.00 0.00 C ATOM 1632 C ASN B 48 14.017 10.783 -10.664 1.00 0.00 C ATOM 1633 O ASN B 48 15.081 10.232 -10.962 1.00 0.00 O ATOM 1634 CB ASN B 48 12.788 8.650 -9.905 1.00 0.00 C ATOM 1635 CG ASN B 48 13.971 7.735 -9.619 1.00 0.00 C ATOM 1636 OD1 ASN B 48 14.884 8.038 -8.862 1.00 0.00 O ATOM 1637 ND2 ASN B 48 13.976 6.552 -10.190 1.00 0.00 N ATOM 0 H ASN B 48 11.137 10.506 -10.380 1.00 0.00 H new ATOM 0 HA ASN B 48 13.551 10.276 -8.689 1.00 0.00 H new ATOM 0 HB2 ASN B 48 11.944 8.329 -9.295 1.00 0.00 H new ATOM 0 HB3 ASN B 48 12.494 8.524 -10.947 1.00 0.00 H new ATOM 0 HD21 ASN B 48 14.735 5.898 -10.001 1.00 0.00 H new ATOM 0 HD22 ASN B 48 13.221 6.288 -10.823 1.00 0.00 H new ATOM 1644 N GLY B 49 13.659 11.956 -11.196 1.00 0.00 N ATOM 1645 CA GLY B 49 14.474 12.760 -12.123 1.00 0.00 C ATOM 1646 C GLY B 49 14.056 14.230 -12.186 1.00 0.00 C ATOM 1647 O GLY B 49 14.188 14.928 -11.156 1.00 0.00 O ATOM 1648 OXT GLY B 49 13.643 14.683 -13.277 1.00 0.00 O ATOM 0 H GLY B 49 12.760 12.391 -10.987 1.00 0.00 H new ATOM 0 HA2 GLY B 49 15.519 12.701 -11.820 1.00 0.00 H new ATOM 0 HA3 GLY B 49 14.406 12.328 -13.122 1.00 0.00 H new TER 1652 GLY B 49 HETATM 1653 ZN ZN A 50 -1.654 -0.275 -4.343 1.00 0.00 ZN HETATM 1654 ZN ZN B 150 1.074 2.461 -5.620 1.00 0.00 ZN