USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.074 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 1.3 (180deg=1.18) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 15 MET CE :methyl 138:sc= -0.871 (180deg=-1.14) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -121:sc= 0.253 USER MOD Single : A 22 SER OG : rot -100:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.15) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 2.39 (180deg=2.22) USER MOD Single : A 46 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 132:sc= 0.0434 (180deg=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ -109:sc= 0.724 (180deg=0.00011) USER MOD Single : B 12 GLN : amide:sc=-0.00133 X(o=-0.0013,f=-0.0013) USER MOD Single : B 13 GLN : amide:sc= -0.0637 X(o=-0.064,f=-0.064) USER MOD Single : B 15 MET CE :methyl 180:sc= -0.263 (180deg=-0.263) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 30:sc= -2.46! USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0123) USER MOD Single : B 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0589) USER MOD Single : B 46 THR OG1 : rot 84:sc= 0.103 USER MOD Single : B 48 ASN : amide:sc= -0.0042 K(o=-0.0042,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.920 -21.895 -5.137 1.00 0.00 N ATOM 2 CA MET A 1 -6.467 -20.534 -5.380 1.00 0.00 C ATOM 3 C MET A 1 -5.773 -19.538 -4.449 1.00 0.00 C ATOM 4 O MET A 1 -6.245 -19.268 -3.343 1.00 0.00 O ATOM 5 CB MET A 1 -8.002 -20.478 -5.211 1.00 0.00 C ATOM 6 CG MET A 1 -8.769 -21.176 -6.344 1.00 0.00 C ATOM 7 SD MET A 1 -10.571 -21.138 -6.120 1.00 0.00 S ATOM 8 CE MET A 1 -11.091 -21.969 -7.646 1.00 0.00 C ATOM 0 H1 MET A 1 -5.540 -22.280 -6.025 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.160 -21.842 -4.429 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.677 -22.516 -4.787 1.00 0.00 H new ATOM 0 HA MET A 1 -6.265 -20.266 -6.417 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.272 -20.940 -4.262 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.316 -19.436 -5.159 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.517 -20.699 -7.291 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.440 -22.213 -6.411 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.179 -22.032 -7.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.739 -21.402 -8.507 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.668 -22.973 -7.676 1.00 0.00 H new ATOM 20 N ASP A 2 -4.620 -19.008 -4.871 1.00 0.00 N ATOM 21 CA ASP A 2 -3.714 -18.209 -4.029 1.00 0.00 C ATOM 22 C ASP A 2 -3.016 -17.127 -4.870 1.00 0.00 C ATOM 23 O ASP A 2 -2.227 -17.441 -5.765 1.00 0.00 O ATOM 24 CB ASP A 2 -2.659 -19.124 -3.377 1.00 0.00 C ATOM 25 CG ASP A 2 -3.263 -20.159 -2.413 1.00 0.00 C ATOM 26 OD1 ASP A 2 -3.635 -21.269 -2.871 1.00 0.00 O ATOM 27 OD2 ASP A 2 -3.346 -19.874 -1.194 1.00 0.00 O ATOM 0 H ASP A 2 -4.281 -19.123 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.301 -17.724 -3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.107 -19.645 -4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.940 -18.509 -2.835 1.00 0.00 H new ATOM 32 N TYR A 3 -3.315 -15.851 -4.596 1.00 0.00 N ATOM 33 CA TYR A 3 -2.667 -14.704 -5.256 1.00 0.00 C ATOM 34 C TYR A 3 -2.771 -13.404 -4.443 1.00 0.00 C ATOM 35 O TYR A 3 -1.788 -12.682 -4.297 1.00 0.00 O ATOM 36 CB TYR A 3 -3.285 -14.493 -6.652 1.00 0.00 C ATOM 37 CG TYR A 3 -2.294 -13.997 -7.685 1.00 0.00 C ATOM 38 CD1 TYR A 3 -2.052 -12.618 -7.848 1.00 0.00 C ATOM 39 CD2 TYR A 3 -1.624 -14.930 -8.502 1.00 0.00 C ATOM 40 CE1 TYR A 3 -1.171 -12.173 -8.852 1.00 0.00 C ATOM 41 CE2 TYR A 3 -0.739 -14.488 -9.504 1.00 0.00 C ATOM 42 CZ TYR A 3 -0.521 -13.106 -9.690 1.00 0.00 C ATOM 43 OH TYR A 3 0.303 -12.679 -10.684 1.00 0.00 O ATOM 0 H TYR A 3 -4.017 -15.581 -3.907 1.00 0.00 H new ATOM 0 HA TYR A 3 -1.607 -14.943 -5.339 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.715 -15.434 -6.996 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.104 -13.778 -6.573 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.542 -11.903 -7.203 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.790 -15.988 -8.359 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.992 -11.116 -8.982 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.228 -15.205 -10.129 1.00 0.00 H new ATOM 0 HH TYR A 3 0.667 -13.453 -11.162 1.00 0.00 H new ATOM 53 N LEU A 4 -3.947 -13.117 -3.866 1.00 0.00 N ATOM 54 CA LEU A 4 -4.241 -11.889 -3.132 1.00 0.00 C ATOM 55 C LEU A 4 -3.316 -11.673 -1.926 1.00 0.00 C ATOM 56 O LEU A 4 -2.856 -10.557 -1.700 1.00 0.00 O ATOM 57 CB LEU A 4 -5.702 -11.962 -2.671 1.00 0.00 C ATOM 58 CG LEU A 4 -6.766 -12.070 -3.778 1.00 0.00 C ATOM 59 CD1 LEU A 4 -8.137 -12.262 -3.139 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.812 -10.829 -4.669 1.00 0.00 C ATOM 0 H LEU A 4 -4.741 -13.756 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.072 -11.040 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.809 -12.822 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.917 -11.074 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.498 -12.922 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.894 -12.339 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.136 -13.174 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.362 -11.410 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.579 -10.958 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.047 -9.954 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.843 -10.689 -5.148 1.00 0.00 H new ATOM 72 N ARG A 5 -2.981 -12.734 -1.183 1.00 0.00 N ATOM 73 CA ARG A 5 -1.983 -12.672 -0.099 1.00 0.00 C ATOM 74 C ARG A 5 -0.633 -12.110 -0.556 1.00 0.00 C ATOM 75 O ARG A 5 -0.054 -11.293 0.153 1.00 0.00 O ATOM 76 CB ARG A 5 -1.835 -14.070 0.527 1.00 0.00 C ATOM 77 CG ARG A 5 -0.982 -14.039 1.803 1.00 0.00 C ATOM 78 CD ARG A 5 -0.822 -15.440 2.402 1.00 0.00 C ATOM 79 NE ARG A 5 -0.057 -15.397 3.665 1.00 0.00 N ATOM 80 CZ ARG A 5 0.239 -16.422 4.445 1.00 0.00 C ATOM 81 NH1 ARG A 5 -0.109 -17.643 4.148 1.00 0.00 N ATOM 82 NH2 ARG A 5 0.897 -16.236 5.554 1.00 0.00 N ATOM 0 H ARG A 5 -3.390 -13.659 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.344 -11.971 0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.822 -14.470 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.380 -14.746 -0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.000 -13.624 1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.445 -13.379 2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.805 -15.875 2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.314 -16.088 1.688 1.00 0.00 H new ATOM 0 HE ARG A 5 0.277 -14.482 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.627 -17.831 3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.137 -18.410 4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.186 -15.296 5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.123 -17.031 6.152 1.00 0.00 H new ATOM 96 N GLU A 6 -0.150 -12.485 -1.742 1.00 0.00 N ATOM 97 CA GLU A 6 1.067 -11.928 -2.329 1.00 0.00 C ATOM 98 C GLU A 6 0.933 -10.437 -2.677 1.00 0.00 C ATOM 99 O GLU A 6 1.906 -9.695 -2.543 1.00 0.00 O ATOM 100 CB GLU A 6 1.474 -12.749 -3.563 1.00 0.00 C ATOM 101 CG GLU A 6 2.788 -13.511 -3.331 1.00 0.00 C ATOM 102 CD GLU A 6 3.876 -13.147 -4.357 1.00 0.00 C ATOM 103 OE1 GLU A 6 3.838 -13.656 -5.503 1.00 0.00 O ATOM 104 OE2 GLU A 6 4.792 -12.364 -4.005 1.00 0.00 O ATOM 0 H GLU A 6 -0.598 -13.191 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 6 1.853 -11.994 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.681 -13.456 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.585 -12.086 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.155 -13.297 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.595 -14.583 -3.378 1.00 0.00 H new ATOM 111 N LEU A 7 -0.267 -9.976 -3.063 1.00 0.00 N ATOM 112 CA LEU A 7 -0.560 -8.556 -3.268 1.00 0.00 C ATOM 113 C LEU A 7 -0.532 -7.796 -1.937 1.00 0.00 C ATOM 114 O LEU A 7 0.177 -6.800 -1.832 1.00 0.00 O ATOM 115 CB LEU A 7 -1.908 -8.378 -3.990 1.00 0.00 C ATOM 116 CG LEU A 7 -2.094 -9.169 -5.295 1.00 0.00 C ATOM 117 CD1 LEU A 7 -3.489 -8.915 -5.863 1.00 0.00 C ATOM 118 CD2 LEU A 7 -1.067 -8.807 -6.362 1.00 0.00 C ATOM 0 H LEU A 7 -1.065 -10.586 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 7 0.217 -8.133 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.704 -8.662 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.040 -7.319 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.958 -10.220 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.614 -9.479 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.240 -9.234 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.610 -7.851 -6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.250 -9.398 -7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.150 -7.747 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.065 -9.016 -5.988 1.00 0.00 H new ATOM 130 N TYR A 8 -1.208 -8.292 -0.894 1.00 0.00 N ATOM 131 CA TYR A 8 -1.116 -7.778 0.480 1.00 0.00 C ATOM 132 C TYR A 8 0.334 -7.627 0.957 1.00 0.00 C ATOM 133 O TYR A 8 0.745 -6.550 1.391 1.00 0.00 O ATOM 134 CB TYR A 8 -1.926 -8.717 1.391 1.00 0.00 C ATOM 135 CG TYR A 8 -2.746 -8.057 2.493 1.00 0.00 C ATOM 136 CD1 TYR A 8 -2.246 -6.963 3.231 1.00 0.00 C ATOM 137 CD2 TYR A 8 -4.036 -8.551 2.775 1.00 0.00 C ATOM 138 CE1 TYR A 8 -3.038 -6.357 4.229 1.00 0.00 C ATOM 139 CE2 TYR A 8 -4.831 -7.946 3.766 1.00 0.00 C ATOM 140 CZ TYR A 8 -4.337 -6.845 4.495 1.00 0.00 C ATOM 141 OH TYR A 8 -5.109 -6.270 5.459 1.00 0.00 O ATOM 0 H TYR A 8 -1.849 -9.080 -0.983 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.532 -6.771 0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.602 -9.299 0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.235 -9.421 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.253 -6.588 3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.417 -9.400 2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.651 -5.519 4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.822 -8.326 3.969 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.972 -6.732 5.506 1.00 0.00 H new ATOM 151 N LYS A 9 1.129 -8.687 0.781 1.00 0.00 N ATOM 152 CA LYS A 9 2.574 -8.757 1.082 1.00 0.00 C ATOM 153 C LYS A 9 3.458 -7.733 0.351 1.00 0.00 C ATOM 154 O LYS A 9 4.584 -7.473 0.774 1.00 0.00 O ATOM 155 CB LYS A 9 3.000 -10.238 0.941 1.00 0.00 C ATOM 156 CG LYS A 9 4.476 -10.577 0.674 1.00 0.00 C ATOM 157 CD LYS A 9 4.812 -10.496 -0.825 1.00 0.00 C ATOM 158 CE LYS A 9 6.267 -10.909 -1.067 1.00 0.00 C ATOM 159 NZ LYS A 9 6.604 -10.877 -2.512 1.00 0.00 N ATOM 0 H LYS A 9 0.771 -9.566 0.407 1.00 0.00 H new ATOM 0 HA LYS A 9 2.744 -8.432 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.707 -10.751 1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.413 -10.671 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.114 -9.889 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.692 -11.580 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.144 -11.146 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.650 -9.481 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.933 -10.240 -0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.432 -11.913 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.541 -11.304 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.891 -11.413 -3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.617 -9.891 -2.844 1.00 0.00 H new ATOM 173 N LEU A 10 2.930 -7.100 -0.690 1.00 0.00 N ATOM 174 CA LEU A 10 3.575 -6.053 -1.492 1.00 0.00 C ATOM 175 C LEU A 10 2.976 -4.667 -1.174 1.00 0.00 C ATOM 176 O LEU A 10 3.720 -3.705 -1.016 1.00 0.00 O ATOM 177 CB LEU A 10 3.552 -6.518 -2.970 1.00 0.00 C ATOM 178 CG LEU A 10 3.003 -5.505 -3.975 1.00 0.00 C ATOM 179 CD1 LEU A 10 4.032 -4.444 -4.371 1.00 0.00 C ATOM 180 CD2 LEU A 10 2.485 -6.199 -5.235 1.00 0.00 C ATOM 0 H LEU A 10 1.988 -7.311 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 10 4.626 -5.910 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.568 -6.781 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.955 -7.428 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 10 2.179 -5.002 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.585 -3.753 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.348 -3.895 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.897 -4.928 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.101 -5.452 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.298 -6.750 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.686 -6.890 -4.967 1.00 0.00 H new ATOM 192 N GLU A 11 1.657 -4.553 -1.014 1.00 0.00 N ATOM 193 CA GLU A 11 0.961 -3.279 -0.798 1.00 0.00 C ATOM 194 C GLU A 11 1.181 -2.728 0.624 1.00 0.00 C ATOM 195 O GLU A 11 1.339 -1.519 0.785 1.00 0.00 O ATOM 196 CB GLU A 11 -0.538 -3.461 -1.106 1.00 0.00 C ATOM 197 CG GLU A 11 -0.858 -3.728 -2.590 1.00 0.00 C ATOM 198 CD GLU A 11 -1.183 -2.453 -3.378 1.00 0.00 C ATOM 199 OE1 GLU A 11 -2.242 -1.810 -3.293 1.00 0.00 O ATOM 200 OE2 GLU A 11 -0.497 -1.925 -4.274 1.00 0.00 O ATOM 0 H GLU A 11 1.029 -5.357 -1.031 1.00 0.00 H new ATOM 0 HA GLU A 11 1.381 -2.537 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.920 -4.290 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.073 -2.566 -0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.007 -4.227 -3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.704 -4.413 -2.655 1.00 0.00 H new ATOM 207 N GLN A 12 1.268 -3.583 1.656 1.00 0.00 N ATOM 208 CA GLN A 12 1.676 -3.184 3.010 1.00 0.00 C ATOM 209 C GLN A 12 3.182 -2.882 3.120 1.00 0.00 C ATOM 210 O GLN A 12 3.595 -2.040 3.919 1.00 0.00 O ATOM 211 CB GLN A 12 1.268 -4.290 3.997 1.00 0.00 C ATOM 212 CG GLN A 12 0.150 -3.819 4.927 1.00 0.00 C ATOM 213 CD GLN A 12 0.631 -2.843 6.004 1.00 0.00 C ATOM 214 OE1 GLN A 12 1.511 -3.132 6.802 1.00 0.00 O ATOM 215 NE2 GLN A 12 0.074 -1.651 6.075 1.00 0.00 N ATOM 0 H GLN A 12 1.055 -4.577 1.572 1.00 0.00 H new ATOM 0 HA GLN A 12 1.166 -2.252 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.938 -5.170 3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.133 -4.591 4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.629 -3.340 4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.303 -4.686 5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.662 -1.392 5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.379 -0.987 6.787 1.00 0.00 H new ATOM 224 N GLN A 13 4.009 -3.525 2.291 1.00 0.00 N ATOM 225 CA GLN A 13 5.422 -3.178 2.117 1.00 0.00 C ATOM 226 C GLN A 13 5.558 -1.768 1.521 1.00 0.00 C ATOM 227 O GLN A 13 6.164 -0.884 2.129 1.00 0.00 O ATOM 228 CB GLN A 13 6.103 -4.259 1.271 1.00 0.00 C ATOM 229 CG GLN A 13 7.038 -5.172 2.077 1.00 0.00 C ATOM 230 CD GLN A 13 8.381 -4.515 2.398 1.00 0.00 C ATOM 231 OE1 GLN A 13 8.497 -3.647 3.252 1.00 0.00 O ATOM 232 NE2 GLN A 13 9.450 -4.902 1.732 1.00 0.00 N ATOM 0 H GLN A 13 3.712 -4.312 1.714 1.00 0.00 H new ATOM 0 HA GLN A 13 5.929 -3.149 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.338 -4.869 0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.674 -3.780 0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.547 -5.456 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.213 -6.090 1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.371 -5.625 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.356 -4.479 1.932 1.00 0.00 H new ATOM 241 N ALA A 14 4.867 -1.517 0.406 1.00 0.00 N ATOM 242 CA ALA A 14 4.645 -0.213 -0.221 1.00 0.00 C ATOM 243 C ALA A 14 3.691 0.713 0.585 1.00 0.00 C ATOM 244 O ALA A 14 2.865 1.428 0.015 1.00 0.00 O ATOM 245 CB ALA A 14 4.173 -0.465 -1.662 1.00 0.00 C ATOM 0 H ALA A 14 4.419 -2.269 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 14 5.581 0.346 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.998 0.489 -2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.938 -1.022 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.248 -1.041 -1.646 1.00 0.00 H new ATOM 251 N MET A 15 3.819 0.721 1.917 1.00 0.00 N ATOM 252 CA MET A 15 3.104 1.613 2.836 1.00 0.00 C ATOM 253 C MET A 15 4.011 2.121 3.960 1.00 0.00 C ATOM 254 O MET A 15 4.154 3.335 4.122 1.00 0.00 O ATOM 255 CB MET A 15 1.865 0.899 3.404 1.00 0.00 C ATOM 256 CG MET A 15 1.059 1.766 4.383 1.00 0.00 C ATOM 257 SD MET A 15 0.682 3.453 3.835 1.00 0.00 S ATOM 258 CE MET A 15 -0.091 3.091 2.241 1.00 0.00 C ATOM 0 H MET A 15 4.448 0.081 2.403 1.00 0.00 H new ATOM 0 HA MET A 15 2.779 2.488 2.273 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.219 0.597 2.580 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.180 -0.012 3.912 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.119 1.257 4.597 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.610 1.826 5.321 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.966 3.727 2.108 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.622 3.282 1.439 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.396 2.045 2.214 1.00 0.00 H new ATOM 268 N LYS A 16 4.701 1.217 4.673 1.00 0.00 N ATOM 269 CA LYS A 16 5.633 1.578 5.763 1.00 0.00 C ATOM 270 C LYS A 16 6.741 2.532 5.303 1.00 0.00 C ATOM 271 O LYS A 16 7.164 3.417 6.047 1.00 0.00 O ATOM 272 CB LYS A 16 6.211 0.281 6.345 1.00 0.00 C ATOM 273 CG LYS A 16 6.956 0.514 7.670 1.00 0.00 C ATOM 274 CD LYS A 16 7.291 -0.818 8.356 1.00 0.00 C ATOM 275 CE LYS A 16 7.962 -0.561 9.711 1.00 0.00 C ATOM 276 NZ LYS A 16 8.181 -1.825 10.463 1.00 0.00 N ATOM 0 H LYS A 16 4.631 0.212 4.513 1.00 0.00 H new ATOM 0 HA LYS A 16 5.085 2.123 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.404 -0.433 6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.893 -0.166 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.874 1.071 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.343 1.124 8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.381 -1.402 8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.952 -1.407 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.917 -0.060 9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.342 0.112 10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.636 -1.613 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.267 -2.291 10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.793 -2.457 9.909 1.00 0.00 H new ATOM 290 N LEU A 17 7.154 2.357 4.050 1.00 0.00 N ATOM 291 CA LEU A 17 8.142 3.139 3.319 1.00 0.00 C ATOM 292 C LEU A 17 7.588 4.433 2.756 1.00 0.00 C ATOM 293 O LEU A 17 8.288 5.441 2.665 1.00 0.00 O ATOM 294 CB LEU A 17 8.539 2.319 2.092 1.00 0.00 C ATOM 295 CG LEU A 17 9.152 0.978 2.461 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.161 0.129 1.198 1.00 0.00 C ATOM 297 CD2 LEU A 17 10.540 1.164 3.055 1.00 0.00 C ATOM 0 H LEU A 17 6.775 1.604 3.476 1.00 0.00 H new ATOM 0 HA LEU A 17 8.951 3.366 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.660 2.154 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.251 2.888 1.494 1.00 0.00 H new ATOM 0 HG LEU A 17 8.570 0.473 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.595 -0.846 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.140 -0.001 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.755 0.625 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.959 0.191 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.184 1.656 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.472 1.778 3.953 1.00 0.00 H new ATOM 309 N TYR A 18 6.334 4.372 2.313 1.00 0.00 N ATOM 310 CA TYR A 18 5.751 5.449 1.526 1.00 0.00 C ATOM 311 C TYR A 18 5.449 6.651 2.422 1.00 0.00 C ATOM 312 O TYR A 18 5.777 7.775 2.038 1.00 0.00 O ATOM 313 CB TYR A 18 4.547 4.941 0.723 1.00 0.00 C ATOM 314 CG TYR A 18 4.795 4.865 -0.776 1.00 0.00 C ATOM 315 CD1 TYR A 18 4.857 6.046 -1.544 1.00 0.00 C ATOM 316 CD2 TYR A 18 4.964 3.618 -1.409 1.00 0.00 C ATOM 317 CE1 TYR A 18 5.072 5.978 -2.936 1.00 0.00 C ATOM 318 CE2 TYR A 18 5.150 3.543 -2.802 1.00 0.00 C ATOM 319 CZ TYR A 18 5.202 4.722 -3.572 1.00 0.00 C ATOM 320 OH TYR A 18 5.383 4.633 -4.918 1.00 0.00 O ATOM 0 H TYR A 18 5.705 3.588 2.487 1.00 0.00 H new ATOM 0 HA TYR A 18 6.468 5.800 0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.271 3.951 1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.696 5.597 0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.739 7.006 -1.064 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.951 2.712 -0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.137 6.886 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 18 5.253 2.581 -3.281 1.00 0.00 H new ATOM 0 HH TYR A 18 4.653 4.111 -5.312 1.00 0.00 H new ATOM 330 N ARG A 19 4.969 6.434 3.662 1.00 0.00 N ATOM 331 CA ARG A 19 5.006 7.486 4.691 1.00 0.00 C ATOM 332 C ARG A 19 6.430 7.949 5.066 1.00 0.00 C ATOM 333 O ARG A 19 6.622 9.137 5.307 1.00 0.00 O ATOM 334 CB ARG A 19 4.153 7.039 5.892 1.00 0.00 C ATOM 335 CG ARG A 19 4.695 5.819 6.658 1.00 0.00 C ATOM 336 CD ARG A 19 5.569 6.232 7.847 1.00 0.00 C ATOM 337 NE ARG A 19 6.279 5.072 8.420 1.00 0.00 N ATOM 338 CZ ARG A 19 6.270 4.668 9.677 1.00 0.00 C ATOM 339 NH1 ARG A 19 5.489 5.196 10.580 1.00 0.00 N ATOM 340 NH2 ARG A 19 7.063 3.710 10.058 1.00 0.00 N ATOM 0 H ARG A 19 4.557 5.553 3.970 1.00 0.00 H new ATOM 0 HA ARG A 19 4.565 8.392 4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.064 7.875 6.586 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.148 6.810 5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.861 5.214 7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.276 5.194 5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.292 6.981 7.526 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.948 6.696 8.613 1.00 0.00 H new ATOM 0 HE ARG A 19 6.840 4.520 7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.853 5.952 10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.515 4.853 11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.692 3.271 9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.056 3.398 11.029 1.00 0.00 H new ATOM 354 N GLU A 20 7.434 7.061 5.077 1.00 0.00 N ATOM 355 CA GLU A 20 8.804 7.382 5.517 1.00 0.00 C ATOM 356 C GLU A 20 9.510 8.361 4.565 1.00 0.00 C ATOM 357 O GLU A 20 9.989 9.422 4.974 1.00 0.00 O ATOM 358 CB GLU A 20 9.621 6.078 5.594 1.00 0.00 C ATOM 359 CG GLU A 20 10.802 6.133 6.571 1.00 0.00 C ATOM 360 CD GLU A 20 10.336 6.014 8.035 1.00 0.00 C ATOM 361 OE1 GLU A 20 10.123 4.876 8.519 1.00 0.00 O ATOM 362 OE2 GLU A 20 10.187 7.058 8.713 1.00 0.00 O ATOM 0 H GLU A 20 7.320 6.092 4.779 1.00 0.00 H new ATOM 0 HA GLU A 20 8.736 7.863 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.958 5.264 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.998 5.839 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.500 5.327 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.343 7.070 6.436 1.00 0.00 H new ATOM 369 N ALA A 21 9.537 8.011 3.277 1.00 0.00 N ATOM 370 CA ALA A 21 10.137 8.826 2.220 1.00 0.00 C ATOM 371 C ALA A 21 9.425 10.176 2.034 1.00 0.00 C ATOM 372 O ALA A 21 10.084 11.191 1.808 1.00 0.00 O ATOM 373 CB ALA A 21 10.139 8.023 0.916 1.00 0.00 C ATOM 0 H ALA A 21 9.135 7.138 2.934 1.00 0.00 H new ATOM 0 HA ALA A 21 11.159 9.064 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.584 8.621 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.719 7.110 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.115 7.765 0.646 1.00 0.00 H new ATOM 379 N SER A 22 8.095 10.213 2.178 1.00 0.00 N ATOM 380 CA SER A 22 7.306 11.449 2.068 1.00 0.00 C ATOM 381 C SER A 22 7.741 12.515 3.073 1.00 0.00 C ATOM 382 O SER A 22 7.951 13.671 2.708 1.00 0.00 O ATOM 383 CB SER A 22 5.827 11.139 2.292 1.00 0.00 C ATOM 384 OG SER A 22 5.029 12.157 1.727 1.00 0.00 O ATOM 0 H SER A 22 7.533 9.385 2.375 1.00 0.00 H new ATOM 0 HA SER A 22 7.474 11.843 1.066 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.576 10.178 1.843 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.622 11.055 3.359 1.00 0.00 H new ATOM 0 HG SER A 22 4.734 12.771 2.432 1.00 0.00 H new ATOM 390 N GLU A 23 7.925 12.118 4.332 1.00 0.00 N ATOM 391 CA GLU A 23 8.399 13.010 5.404 1.00 0.00 C ATOM 392 C GLU A 23 9.820 13.565 5.166 1.00 0.00 C ATOM 393 O GLU A 23 10.125 14.672 5.619 1.00 0.00 O ATOM 394 CB GLU A 23 8.328 12.306 6.769 1.00 0.00 C ATOM 395 CG GLU A 23 6.883 12.123 7.250 1.00 0.00 C ATOM 396 CD GLU A 23 6.842 11.561 8.685 1.00 0.00 C ATOM 397 OE1 GLU A 23 6.884 12.362 9.652 1.00 0.00 O ATOM 398 OE2 GLU A 23 6.754 10.322 8.865 1.00 0.00 O ATOM 0 H GLU A 23 7.750 11.163 4.645 1.00 0.00 H new ATOM 0 HA GLU A 23 7.726 13.868 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.812 11.332 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.884 12.887 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.361 13.079 7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.355 11.448 6.577 1.00 0.00 H new ATOM 405 N ARG A 24 10.681 12.839 4.433 1.00 0.00 N ATOM 406 CA ARG A 24 12.024 13.303 4.033 1.00 0.00 C ATOM 407 C ARG A 24 11.956 14.246 2.824 1.00 0.00 C ATOM 408 O ARG A 24 12.533 15.332 2.859 1.00 0.00 O ATOM 409 CB ARG A 24 12.922 12.072 3.773 1.00 0.00 C ATOM 410 CG ARG A 24 14.441 12.320 3.854 1.00 0.00 C ATOM 411 CD ARG A 24 15.031 13.149 2.702 1.00 0.00 C ATOM 412 NE ARG A 24 16.508 13.153 2.738 1.00 0.00 N ATOM 413 CZ ARG A 24 17.315 13.848 1.955 1.00 0.00 C ATOM 414 NH1 ARG A 24 16.866 14.631 1.014 1.00 0.00 N ATOM 415 NH2 ARG A 24 18.607 13.769 2.100 1.00 0.00 N ATOM 0 H ARG A 24 10.463 11.901 4.096 1.00 0.00 H new ATOM 0 HA ARG A 24 12.464 13.888 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.661 11.297 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.689 11.679 2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.661 12.826 4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.949 11.356 3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.690 12.744 1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.662 14.173 2.763 1.00 0.00 H new ATOM 0 HE ARG A 24 16.950 12.559 3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.861 14.723 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.519 15.152 0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 24 19.003 13.167 2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 24 19.222 14.309 1.491 1.00 0.00 H new ATOM 429 N VAL A 25 11.255 13.845 1.760 1.00 0.00 N ATOM 430 CA VAL A 25 11.202 14.573 0.475 1.00 0.00 C ATOM 431 C VAL A 25 10.356 15.854 0.561 1.00 0.00 C ATOM 432 O VAL A 25 10.729 16.875 -0.019 1.00 0.00 O ATOM 433 CB VAL A 25 10.703 13.640 -0.645 1.00 0.00 C ATOM 434 CG1 VAL A 25 10.528 14.352 -1.992 1.00 0.00 C ATOM 435 CG2 VAL A 25 11.692 12.488 -0.882 1.00 0.00 C ATOM 0 H VAL A 25 10.696 12.992 1.760 1.00 0.00 H new ATOM 0 HA VAL A 25 12.216 14.894 0.235 1.00 0.00 H new ATOM 0 HB VAL A 25 9.735 13.277 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.175 13.639 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.801 15.157 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.484 14.767 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.317 11.844 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.661 12.894 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.801 11.907 0.034 1.00 0.00 H new ATOM 445 N GLY A 26 9.252 15.835 1.315 1.00 0.00 N ATOM 446 CA GLY A 26 8.401 17.007 1.554 1.00 0.00 C ATOM 447 C GLY A 26 7.547 17.449 0.354 1.00 0.00 C ATOM 448 O GLY A 26 7.255 18.639 0.223 1.00 0.00 O ATOM 0 H GLY A 26 8.919 14.993 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.738 16.790 2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.034 17.841 1.856 1.00 0.00 H new ATOM 452 N ASP A 27 7.147 16.520 -0.524 1.00 0.00 N ATOM 453 CA ASP A 27 6.279 16.787 -1.685 1.00 0.00 C ATOM 454 C ASP A 27 4.865 16.208 -1.476 1.00 0.00 C ATOM 455 O ASP A 27 4.737 15.042 -1.084 1.00 0.00 O ATOM 456 CB ASP A 27 6.898 16.204 -2.969 1.00 0.00 C ATOM 457 CG ASP A 27 7.742 17.251 -3.714 1.00 0.00 C ATOM 458 OD1 ASP A 27 7.145 18.174 -4.319 1.00 0.00 O ATOM 459 OD2 ASP A 27 8.991 17.156 -3.712 1.00 0.00 O ATOM 0 H ASP A 27 7.422 15.541 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 27 6.193 17.869 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.521 15.346 -2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.106 15.841 -3.624 1.00 0.00 H new ATOM 464 N PRO A 28 3.791 16.973 -1.763 1.00 0.00 N ATOM 465 CA PRO A 28 2.426 16.546 -1.468 1.00 0.00 C ATOM 466 C PRO A 28 1.977 15.355 -2.321 1.00 0.00 C ATOM 467 O PRO A 28 1.312 14.470 -1.797 1.00 0.00 O ATOM 468 CB PRO A 28 1.544 17.783 -1.675 1.00 0.00 C ATOM 469 CG PRO A 28 2.339 18.638 -2.660 1.00 0.00 C ATOM 470 CD PRO A 28 3.790 18.329 -2.296 1.00 0.00 C ATOM 0 HA PRO A 28 2.350 16.178 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.567 17.515 -2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.369 18.311 -0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.118 18.373 -3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.112 19.698 -2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.436 18.405 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.167 19.038 -1.559 1.00 0.00 H new ATOM 478 N VAL A 29 2.359 15.263 -3.601 1.00 0.00 N ATOM 479 CA VAL A 29 1.968 14.120 -4.456 1.00 0.00 C ATOM 480 C VAL A 29 2.572 12.784 -3.992 1.00 0.00 C ATOM 481 O VAL A 29 1.934 11.739 -4.128 1.00 0.00 O ATOM 482 CB VAL A 29 2.221 14.421 -5.946 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.699 14.375 -6.343 1.00 0.00 C ATOM 484 CG2 VAL A 29 1.437 13.470 -6.853 1.00 0.00 C ATOM 0 H VAL A 29 2.936 15.960 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 29 0.892 13.990 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 29 1.872 15.444 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.797 14.597 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.254 15.114 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.099 13.381 -6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.640 13.712 -7.896 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.742 12.443 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.370 13.577 -6.657 1.00 0.00 H new ATOM 494 N LEU A 30 3.737 12.801 -3.335 1.00 0.00 N ATOM 495 CA LEU A 30 4.304 11.621 -2.671 1.00 0.00 C ATOM 496 C LEU A 30 3.421 11.171 -1.490 1.00 0.00 C ATOM 497 O LEU A 30 3.088 9.990 -1.372 1.00 0.00 O ATOM 498 CB LEU A 30 5.751 11.945 -2.237 1.00 0.00 C ATOM 499 CG LEU A 30 6.731 10.783 -2.467 1.00 0.00 C ATOM 500 CD1 LEU A 30 8.157 11.237 -2.159 1.00 0.00 C ATOM 501 CD2 LEU A 30 6.428 9.555 -1.609 1.00 0.00 C ATOM 0 H LEU A 30 4.316 13.637 -3.248 1.00 0.00 H new ATOM 0 HA LEU A 30 4.330 10.780 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.100 12.819 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.755 12.210 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 30 6.619 10.497 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.846 10.409 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.424 12.067 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.220 11.560 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.158 8.774 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.483 9.825 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.427 9.189 -1.838 1.00 0.00 H new ATOM 513 N ALA A 31 2.930 12.129 -0.697 1.00 0.00 N ATOM 514 CA ALA A 31 1.903 11.890 0.316 1.00 0.00 C ATOM 515 C ALA A 31 0.539 11.471 -0.276 1.00 0.00 C ATOM 516 O ALA A 31 -0.318 11.002 0.478 1.00 0.00 O ATOM 517 CB ALA A 31 1.760 13.131 1.213 1.00 0.00 C ATOM 0 H ALA A 31 3.239 13.100 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 31 2.235 11.041 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.994 12.949 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.711 13.336 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.474 13.989 0.604 1.00 0.00 H new ATOM 523 N LYS A 32 0.308 11.605 -1.597 1.00 0.00 N ATOM 524 CA LYS A 32 -0.992 11.241 -2.209 1.00 0.00 C ATOM 525 C LYS A 32 -1.014 9.828 -2.774 1.00 0.00 C ATOM 526 O LYS A 32 -2.060 9.183 -2.748 1.00 0.00 O ATOM 527 CB LYS A 32 -1.375 12.252 -3.296 1.00 0.00 C ATOM 528 CG LYS A 32 -1.559 13.661 -2.719 1.00 0.00 C ATOM 529 CD LYS A 32 -3.003 14.065 -2.445 1.00 0.00 C ATOM 530 CE LYS A 32 -3.693 13.354 -1.268 1.00 0.00 C ATOM 531 NZ LYS A 32 -4.655 12.305 -1.704 1.00 0.00 N ATOM 0 H LYS A 32 0.998 11.960 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.729 11.269 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.602 12.271 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.298 11.934 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.996 13.732 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.122 14.380 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.030 15.139 -2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.587 13.882 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.935 12.901 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.219 14.092 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.209 11.981 -0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.296 12.699 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.133 11.502 -2.109 1.00 0.00 H new ATOM 545 N ILE A 33 0.136 9.320 -3.213 1.00 0.00 N ATOM 546 CA ILE A 33 0.280 7.925 -3.659 1.00 0.00 C ATOM 547 C ILE A 33 -0.102 6.932 -2.551 1.00 0.00 C ATOM 548 O ILE A 33 -0.888 6.015 -2.785 1.00 0.00 O ATOM 549 CB ILE A 33 1.713 7.716 -4.179 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.817 8.456 -5.526 1.00 0.00 C ATOM 551 CG2 ILE A 33 2.062 6.230 -4.352 1.00 0.00 C ATOM 552 CD1 ILE A 33 3.253 8.699 -5.968 1.00 0.00 C ATOM 0 H ILE A 33 0.999 9.861 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.415 7.728 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 33 2.425 8.109 -3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.301 7.877 -6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.301 9.413 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.083 6.137 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.975 5.722 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.375 5.776 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.256 9.224 -6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.766 9.304 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.767 7.744 -6.077 1.00 0.00 H new ATOM 564 N LEU A 34 0.396 7.144 -1.328 1.00 0.00 N ATOM 565 CA LEU A 34 0.110 6.270 -0.181 1.00 0.00 C ATOM 566 C LEU A 34 -1.381 6.271 0.219 1.00 0.00 C ATOM 567 O LEU A 34 -1.930 5.254 0.638 1.00 0.00 O ATOM 568 CB LEU A 34 1.089 6.624 0.956 1.00 0.00 C ATOM 569 CG LEU A 34 0.760 7.859 1.812 1.00 0.00 C ATOM 570 CD1 LEU A 34 -0.098 7.515 3.033 1.00 0.00 C ATOM 571 CD2 LEU A 34 2.052 8.492 2.338 1.00 0.00 C ATOM 0 H LEU A 34 1.010 7.927 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 34 0.282 5.229 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.160 5.763 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.076 6.771 0.518 1.00 0.00 H new ATOM 0 HG LEU A 34 0.209 8.540 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.301 8.422 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.039 7.075 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.435 6.803 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.809 9.366 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.590 7.767 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.677 8.795 1.498 1.00 0.00 H new ATOM 583 N GLU A 35 -2.072 7.391 0.023 1.00 0.00 N ATOM 584 CA GLU A 35 -3.504 7.542 0.284 1.00 0.00 C ATOM 585 C GLU A 35 -4.370 6.608 -0.566 1.00 0.00 C ATOM 586 O GLU A 35 -5.385 6.097 -0.097 1.00 0.00 O ATOM 587 CB GLU A 35 -3.873 9.002 -0.018 1.00 0.00 C ATOM 588 CG GLU A 35 -4.300 9.780 1.219 1.00 0.00 C ATOM 589 CD GLU A 35 -5.779 10.185 1.125 1.00 0.00 C ATOM 590 OE1 GLU A 35 -6.060 11.224 0.479 1.00 0.00 O ATOM 591 OE2 GLU A 35 -6.655 9.448 1.640 1.00 0.00 O ATOM 0 H GLU A 35 -1.640 8.244 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.697 7.277 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.017 9.499 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.681 9.022 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.141 9.172 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.681 10.670 1.326 1.00 0.00 H new ATOM 598 N ASP A 36 -3.964 6.370 -1.809 1.00 0.00 N ATOM 599 CA ASP A 36 -4.621 5.443 -2.723 1.00 0.00 C ATOM 600 C ASP A 36 -4.317 3.966 -2.399 1.00 0.00 C ATOM 601 O ASP A 36 -5.210 3.123 -2.487 1.00 0.00 O ATOM 602 CB ASP A 36 -4.149 5.786 -4.135 1.00 0.00 C ATOM 603 CG ASP A 36 -4.771 7.064 -4.725 1.00 0.00 C ATOM 604 OD1 ASP A 36 -5.969 7.348 -4.484 1.00 0.00 O ATOM 605 OD2 ASP A 36 -4.054 7.762 -5.480 1.00 0.00 O ATOM 0 H ASP A 36 -3.149 6.828 -2.218 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.701 5.553 -2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.065 5.897 -4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.378 4.948 -4.794 1.00 0.00 H new ATOM 610 N GLU A 37 -3.095 3.634 -1.960 1.00 0.00 N ATOM 611 CA GLU A 37 -2.766 2.276 -1.479 1.00 0.00 C ATOM 612 C GLU A 37 -3.581 1.879 -0.229 1.00 0.00 C ATOM 613 O GLU A 37 -3.815 0.695 0.006 1.00 0.00 O ATOM 614 CB GLU A 37 -1.260 2.135 -1.173 1.00 0.00 C ATOM 615 CG GLU A 37 -0.267 2.492 -2.296 1.00 0.00 C ATOM 616 CD GLU A 37 -0.323 1.601 -3.540 1.00 0.00 C ATOM 617 OE1 GLU A 37 -1.218 0.738 -3.698 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.493 1.771 -4.478 1.00 0.00 O ATOM 0 H GLU A 37 -2.312 4.287 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.034 1.598 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.032 2.762 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.073 1.103 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.448 3.523 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.743 2.453 -1.889 1.00 0.00 H new ATOM 625 N GLU A 38 -4.076 2.842 0.559 1.00 0.00 N ATOM 626 CA GLU A 38 -5.001 2.580 1.673 1.00 0.00 C ATOM 627 C GLU A 38 -6.323 1.956 1.193 1.00 0.00 C ATOM 628 O GLU A 38 -6.763 0.931 1.723 1.00 0.00 O ATOM 629 CB GLU A 38 -5.293 3.897 2.404 1.00 0.00 C ATOM 630 CG GLU A 38 -5.980 3.686 3.760 1.00 0.00 C ATOM 631 CD GLU A 38 -6.319 5.032 4.425 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.173 5.775 3.879 1.00 0.00 O ATOM 633 OE2 GLU A 38 -5.747 5.352 5.495 1.00 0.00 O ATOM 0 H GLU A 38 -3.846 3.829 0.443 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.524 1.866 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.359 4.438 2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.926 4.524 1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.892 3.105 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.329 3.107 4.415 1.00 0.00 H new ATOM 640 N LYS A 39 -6.932 2.548 0.152 1.00 0.00 N ATOM 641 CA LYS A 39 -8.144 2.000 -0.492 1.00 0.00 C ATOM 642 C LYS A 39 -7.883 0.586 -1.005 1.00 0.00 C ATOM 643 O LYS A 39 -8.676 -0.320 -0.748 1.00 0.00 O ATOM 644 CB LYS A 39 -8.631 2.873 -1.666 1.00 0.00 C ATOM 645 CG LYS A 39 -9.480 4.107 -1.319 1.00 0.00 C ATOM 646 CD LYS A 39 -8.706 5.314 -0.768 1.00 0.00 C ATOM 647 CE LYS A 39 -8.650 5.322 0.764 1.00 0.00 C ATOM 648 NZ LYS A 39 -7.836 6.454 1.271 1.00 0.00 N ATOM 0 H LYS A 39 -6.602 3.417 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.923 1.988 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.756 3.210 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.212 2.242 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.016 4.420 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.231 3.814 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.691 5.304 -1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.176 6.234 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.661 5.390 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.229 4.381 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.748 6.382 2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.890 6.422 0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.299 7.352 1.024 1.00 0.00 H new ATOM 662 N HIS A 40 -6.746 0.378 -1.672 1.00 0.00 N ATOM 663 CA HIS A 40 -6.353 -0.901 -2.257 1.00 0.00 C ATOM 664 C HIS A 40 -6.280 -2.048 -1.245 1.00 0.00 C ATOM 665 O HIS A 40 -6.629 -3.160 -1.612 1.00 0.00 O ATOM 666 CB HIS A 40 -4.984 -0.752 -2.921 1.00 0.00 C ATOM 667 CG HIS A 40 -4.882 0.104 -4.154 1.00 0.00 C ATOM 668 ND1 HIS A 40 -3.730 0.204 -4.953 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.864 0.893 -4.674 1.00 0.00 C ATOM 670 CE1 HIS A 40 -4.070 1.078 -5.931 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.338 1.493 -5.789 1.00 0.00 N ATOM 0 H HIS A 40 -6.057 1.115 -1.823 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.128 -1.159 -2.978 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.296 -0.349 -2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.628 -1.750 -3.178 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.863 1.021 -4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.407 1.399 -6.721 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.827 2.143 -6.405 1.00 0.00 H new ATOM 679 N ILE A 41 -5.855 -1.779 -0.005 1.00 0.00 N ATOM 680 CA ILE A 41 -5.678 -2.710 1.124 1.00 0.00 C ATOM 681 C ILE A 41 -7.032 -3.045 1.766 1.00 0.00 C ATOM 682 O ILE A 41 -7.307 -4.208 2.058 1.00 0.00 O ATOM 683 CB ILE A 41 -4.734 -2.065 2.178 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.254 -2.084 1.729 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.865 -2.674 3.589 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.532 -3.429 1.879 1.00 0.00 C ATOM 0 H ILE A 41 -5.604 -0.826 0.260 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.237 -3.636 0.755 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.068 -1.030 2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.207 -1.782 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.709 -1.334 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.175 -2.172 4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.886 -2.544 3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.627 -3.737 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.502 -3.330 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.538 -3.730 2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.042 -4.185 1.282 1.00 0.00 H new ATOM 698 N GLU A 42 -7.902 -2.045 1.959 1.00 0.00 N ATOM 699 CA GLU A 42 -9.273 -2.269 2.437 1.00 0.00 C ATOM 700 C GLU A 42 -10.058 -3.136 1.439 1.00 0.00 C ATOM 701 O GLU A 42 -10.679 -4.131 1.821 1.00 0.00 O ATOM 702 CB GLU A 42 -9.964 -0.918 2.680 1.00 0.00 C ATOM 703 CG GLU A 42 -11.328 -1.088 3.362 1.00 0.00 C ATOM 704 CD GLU A 42 -11.984 0.275 3.650 1.00 0.00 C ATOM 705 OE1 GLU A 42 -11.662 0.902 4.689 1.00 0.00 O ATOM 706 OE2 GLU A 42 -12.840 0.726 2.851 1.00 0.00 O ATOM 0 H GLU A 42 -7.678 -1.064 1.790 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.242 -2.811 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.324 -0.289 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.095 -0.401 1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.984 -1.682 2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.204 -1.639 4.295 1.00 0.00 H new ATOM 713 N TRP A 43 -9.953 -2.815 0.145 1.00 0.00 N ATOM 714 CA TRP A 43 -10.459 -3.654 -0.941 1.00 0.00 C ATOM 715 C TRP A 43 -9.770 -5.027 -0.987 1.00 0.00 C ATOM 716 O TRP A 43 -10.445 -6.019 -1.256 1.00 0.00 O ATOM 717 CB TRP A 43 -10.316 -2.912 -2.281 1.00 0.00 C ATOM 718 CG TRP A 43 -11.062 -1.612 -2.419 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.197 -1.268 -1.765 1.00 0.00 C ATOM 720 CD2 TRP A 43 -10.747 -0.467 -3.278 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.600 -0.004 -2.151 1.00 0.00 N ATOM 722 CE2 TRP A 43 -11.756 0.529 -3.099 1.00 0.00 C ATOM 723 CE3 TRP A 43 -9.724 -0.172 -4.206 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -11.760 1.738 -3.811 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -9.720 1.034 -4.935 1.00 0.00 C ATOM 726 CH2 TRP A 43 -10.736 1.988 -4.741 1.00 0.00 C ATOM 0 H TRP A 43 -9.509 -1.956 -0.179 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.515 -3.847 -0.752 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.257 -2.716 -2.450 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.647 -3.580 -3.076 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.711 -1.890 -1.047 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.421 0.475 -1.780 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.928 -0.886 -4.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.540 2.467 -3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.932 1.227 -5.647 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.729 2.909 -5.305 1.00 0.00 H new ATOM 737 N LEU A 44 -8.469 -5.120 -0.671 1.00 0.00 N ATOM 738 CA LEU A 44 -7.718 -6.383 -0.666 1.00 0.00 C ATOM 739 C LEU A 44 -8.331 -7.413 0.288 1.00 0.00 C ATOM 740 O LEU A 44 -8.708 -8.511 -0.113 1.00 0.00 O ATOM 741 CB LEU A 44 -6.277 -6.066 -0.234 1.00 0.00 C ATOM 742 CG LEU A 44 -5.169 -6.713 -1.047 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.840 -6.118 -0.619 1.00 0.00 C ATOM 744 CD2 LEU A 44 -5.161 -8.232 -0.945 1.00 0.00 C ATOM 0 H LEU A 44 -7.904 -4.312 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.747 -6.819 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.140 -4.985 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.158 -6.368 0.806 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.349 -6.499 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.035 -6.574 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.849 -5.043 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.680 -6.310 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.346 -8.633 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.021 -8.526 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.110 -8.626 -1.309 1.00 0.00 H new ATOM 756 N GLU A 45 -8.458 -7.024 1.555 1.00 0.00 N ATOM 757 CA GLU A 45 -9.017 -7.855 2.626 1.00 0.00 C ATOM 758 C GLU A 45 -10.490 -8.200 2.354 1.00 0.00 C ATOM 759 O GLU A 45 -10.893 -9.358 2.481 1.00 0.00 O ATOM 760 CB GLU A 45 -8.827 -7.119 3.965 1.00 0.00 C ATOM 761 CG GLU A 45 -8.795 -8.040 5.194 1.00 0.00 C ATOM 762 CD GLU A 45 -10.167 -8.616 5.602 1.00 0.00 C ATOM 763 OE1 GLU A 45 -11.156 -7.848 5.704 1.00 0.00 O ATOM 764 OE2 GLU A 45 -10.248 -9.835 5.889 1.00 0.00 O ATOM 0 H GLU A 45 -8.169 -6.100 1.876 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.490 -8.808 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.897 -6.552 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.635 -6.397 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.114 -8.867 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.384 -7.485 6.037 1.00 0.00 H new ATOM 771 N THR A 46 -11.270 -7.218 1.881 1.00 0.00 N ATOM 772 CA THR A 46 -12.680 -7.398 1.482 1.00 0.00 C ATOM 773 C THR A 46 -12.857 -8.454 0.382 1.00 0.00 C ATOM 774 O THR A 46 -13.828 -9.213 0.417 1.00 0.00 O ATOM 775 CB THR A 46 -13.303 -6.064 1.033 1.00 0.00 C ATOM 776 OG1 THR A 46 -13.241 -5.114 2.076 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.782 -6.169 0.650 1.00 0.00 C ATOM 0 H THR A 46 -10.938 -6.261 1.762 1.00 0.00 H new ATOM 0 HA THR A 46 -13.202 -7.759 2.368 1.00 0.00 H new ATOM 0 HB THR A 46 -12.723 -5.770 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.362 -4.682 2.073 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.149 -5.189 0.345 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.895 -6.872 -0.175 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.356 -6.521 1.507 1.00 0.00 H new ATOM 785 N ILE A 47 -11.924 -8.546 -0.575 1.00 0.00 N ATOM 786 CA ILE A 47 -12.016 -9.465 -1.723 1.00 0.00 C ATOM 787 C ILE A 47 -11.395 -10.854 -1.481 1.00 0.00 C ATOM 788 O ILE A 47 -11.577 -11.773 -2.281 1.00 0.00 O ATOM 789 CB ILE A 47 -11.526 -8.745 -3.010 1.00 0.00 C ATOM 790 CG1 ILE A 47 -12.528 -8.894 -4.170 1.00 0.00 C ATOM 791 CG2 ILE A 47 -10.118 -9.159 -3.470 1.00 0.00 C ATOM 792 CD1 ILE A 47 -13.803 -8.063 -3.955 1.00 0.00 C ATOM 0 H ILE A 47 -11.075 -7.980 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 47 -13.067 -9.715 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.462 -7.695 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.050 -8.587 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.797 -9.944 -4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.854 -8.610 -4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.397 -8.932 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.103 -10.229 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -14.476 -8.203 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.298 -8.387 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.540 -7.008 -3.872 1.00 0.00 H new ATOM 804 N ASN A 48 -10.718 -11.023 -0.346 1.00 0.00 N ATOM 805 CA ASN A 48 -9.996 -12.244 0.042 1.00 0.00 C ATOM 806 C ASN A 48 -10.816 -13.199 0.943 1.00 0.00 C ATOM 807 O ASN A 48 -10.455 -14.367 1.108 1.00 0.00 O ATOM 808 CB ASN A 48 -8.655 -11.821 0.679 1.00 0.00 C ATOM 809 CG ASN A 48 -7.567 -12.887 0.683 1.00 0.00 C ATOM 810 OD1 ASN A 48 -7.650 -13.943 0.073 1.00 0.00 O ATOM 811 ND2 ASN A 48 -6.463 -12.613 1.343 1.00 0.00 N ATOM 0 H ASN A 48 -10.652 -10.288 0.358 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.810 -12.840 -0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.280 -10.946 0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.842 -11.514 1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.690 -13.278 1.342 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.380 -11.735 1.856 1.00 0.00 H new ATOM 818 N GLY A 49 -11.942 -12.725 1.495 1.00 0.00 N ATOM 819 CA GLY A 49 -12.924 -13.525 2.250 1.00 0.00 C ATOM 820 C GLY A 49 -13.687 -12.728 3.309 1.00 0.00 C ATOM 821 O GLY A 49 -14.539 -11.895 2.929 1.00 0.00 O ATOM 822 OXT GLY A 49 -13.446 -12.966 4.513 1.00 0.00 O ATOM 0 H GLY A 49 -12.205 -11.742 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.639 -13.960 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.408 -14.354 2.735 1.00 0.00 H new TER 826 GLY A 49 ATOM 827 N MET B 1 17.803 10.235 -1.723 1.00 0.00 N ATOM 828 CA MET B 1 18.735 9.522 -2.638 1.00 0.00 C ATOM 829 C MET B 1 18.571 8.005 -2.518 1.00 0.00 C ATOM 830 O MET B 1 18.232 7.516 -1.443 1.00 0.00 O ATOM 831 CB MET B 1 20.206 9.945 -2.423 1.00 0.00 C ATOM 832 CG MET B 1 20.836 9.453 -1.105 1.00 0.00 C ATOM 833 SD MET B 1 22.545 9.999 -0.818 1.00 0.00 S ATOM 834 CE MET B 1 22.266 11.720 -0.313 1.00 0.00 C ATOM 0 H1 MET B 1 18.324 10.964 -1.195 1.00 0.00 H new ATOM 0 H2 MET B 1 17.047 10.684 -2.278 1.00 0.00 H new ATOM 0 H3 MET B 1 17.385 9.556 -1.055 1.00 0.00 H new ATOM 0 HA MET B 1 18.469 9.813 -3.654 1.00 0.00 H new ATOM 0 HB2 MET B 1 20.802 9.571 -3.256 1.00 0.00 H new ATOM 0 HB3 MET B 1 20.264 11.033 -2.453 1.00 0.00 H new ATOM 0 HG2 MET B 1 20.218 9.794 -0.275 1.00 0.00 H new ATOM 0 HG3 MET B 1 20.812 8.363 -1.093 1.00 0.00 H new ATOM 0 HE1 MET B 1 23.223 12.196 -0.100 1.00 0.00 H new ATOM 0 HE2 MET B 1 21.763 12.258 -1.117 1.00 0.00 H new ATOM 0 HE3 MET B 1 21.644 11.740 0.582 1.00 0.00 H new ATOM 846 N ASP B 2 18.831 7.259 -3.600 1.00 0.00 N ATOM 847 CA ASP B 2 18.843 5.780 -3.649 1.00 0.00 C ATOM 848 C ASP B 2 17.619 5.098 -2.986 1.00 0.00 C ATOM 849 O ASP B 2 17.748 4.152 -2.205 1.00 0.00 O ATOM 850 CB ASP B 2 20.205 5.276 -3.130 1.00 0.00 C ATOM 851 CG ASP B 2 20.451 3.779 -3.407 1.00 0.00 C ATOM 852 OD1 ASP B 2 20.125 3.301 -4.521 1.00 0.00 O ATOM 853 OD2 ASP B 2 21.027 3.087 -2.533 1.00 0.00 O ATOM 0 H ASP B 2 19.048 7.680 -4.503 1.00 0.00 H new ATOM 0 HA ASP B 2 18.731 5.476 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP B 2 21.000 5.859 -3.594 1.00 0.00 H new ATOM 0 HB3 ASP B 2 20.264 5.454 -2.056 1.00 0.00 H new ATOM 858 N TYR B 3 16.416 5.614 -3.280 1.00 0.00 N ATOM 859 CA TYR B 3 15.156 5.212 -2.626 1.00 0.00 C ATOM 860 C TYR B 3 13.999 5.046 -3.622 1.00 0.00 C ATOM 861 O TYR B 3 13.310 4.028 -3.620 1.00 0.00 O ATOM 862 CB TYR B 3 14.803 6.261 -1.554 1.00 0.00 C ATOM 863 CG TYR B 3 14.079 5.719 -0.335 1.00 0.00 C ATOM 864 CD1 TYR B 3 12.740 5.286 -0.422 1.00 0.00 C ATOM 865 CD2 TYR B 3 14.750 5.679 0.903 1.00 0.00 C ATOM 866 CE1 TYR B 3 12.076 4.819 0.729 1.00 0.00 C ATOM 867 CE2 TYR B 3 14.084 5.225 2.057 1.00 0.00 C ATOM 868 CZ TYR B 3 12.741 4.801 1.975 1.00 0.00 C ATOM 869 OH TYR B 3 12.086 4.391 3.094 1.00 0.00 O ATOM 0 H TYR B 3 16.287 6.334 -3.990 1.00 0.00 H new ATOM 0 HA TYR B 3 15.305 4.234 -2.168 1.00 0.00 H new ATOM 0 HB2 TYR B 3 15.723 6.745 -1.225 1.00 0.00 H new ATOM 0 HB3 TYR B 3 14.183 7.032 -2.012 1.00 0.00 H new ATOM 0 HD1 TYR B 3 12.224 5.312 -1.370 1.00 0.00 H new ATOM 0 HD2 TYR B 3 15.780 5.998 0.967 1.00 0.00 H new ATOM 0 HE1 TYR B 3 11.055 4.474 0.659 1.00 0.00 H new ATOM 0 HE2 TYR B 3 14.601 5.201 3.005 1.00 0.00 H new ATOM 0 HH TYR B 3 12.691 4.440 3.863 1.00 0.00 H new ATOM 879 N LEU B 4 13.819 6.019 -4.525 1.00 0.00 N ATOM 880 CA LEU B 4 12.764 6.072 -5.541 1.00 0.00 C ATOM 881 C LEU B 4 12.780 4.855 -6.469 1.00 0.00 C ATOM 882 O LEU B 4 11.734 4.358 -6.880 1.00 0.00 O ATOM 883 CB LEU B 4 13.007 7.355 -6.349 1.00 0.00 C ATOM 884 CG LEU B 4 12.781 8.634 -5.526 1.00 0.00 C ATOM 885 CD1 LEU B 4 13.697 9.761 -5.994 1.00 0.00 C ATOM 886 CD2 LEU B 4 11.331 9.102 -5.625 1.00 0.00 C ATOM 0 H LEU B 4 14.437 6.830 -4.567 1.00 0.00 H new ATOM 0 HA LEU B 4 11.787 6.067 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU B 4 14.028 7.350 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU B 4 12.344 7.364 -7.214 1.00 0.00 H new ATOM 0 HG LEU B 4 13.012 8.390 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU B 4 13.514 10.652 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU B 4 14.737 9.455 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU B 4 13.495 9.982 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU B 4 11.200 10.008 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU B 4 11.086 9.310 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU B 4 10.670 8.322 -5.246 1.00 0.00 H new ATOM 898 N ARG B 5 13.978 4.344 -6.765 1.00 0.00 N ATOM 899 CA ARG B 5 14.154 3.131 -7.572 1.00 0.00 C ATOM 900 C ARG B 5 13.498 1.906 -6.950 1.00 0.00 C ATOM 901 O ARG B 5 12.818 1.189 -7.670 1.00 0.00 O ATOM 902 CB ARG B 5 15.650 2.918 -7.869 1.00 0.00 C ATOM 903 CG ARG B 5 15.906 1.824 -8.918 1.00 0.00 C ATOM 904 CD ARG B 5 16.096 0.413 -8.335 1.00 0.00 C ATOM 905 NE ARG B 5 16.159 -0.609 -9.401 1.00 0.00 N ATOM 906 CZ ARG B 5 16.634 -1.840 -9.300 1.00 0.00 C ATOM 907 NH1 ARG B 5 17.157 -2.298 -8.198 1.00 0.00 N ATOM 908 NH2 ARG B 5 16.587 -2.648 -10.320 1.00 0.00 N ATOM 0 H ARG B 5 14.855 4.759 -6.452 1.00 0.00 H new ATOM 0 HA ARG B 5 13.634 3.275 -8.519 1.00 0.00 H new ATOM 0 HB2 ARG B 5 16.082 3.856 -8.218 1.00 0.00 H new ATOM 0 HB3 ARG B 5 16.164 2.654 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.069 1.805 -9.616 1.00 0.00 H new ATOM 0 HG3 ARG B 5 16.794 2.089 -9.492 1.00 0.00 H new ATOM 0 HD2 ARG B 5 17.012 0.382 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG B 5 15.273 0.184 -7.658 1.00 0.00 H new ATOM 0 HE ARG B 5 15.797 -0.335 -10.314 1.00 0.00 H new ATOM 0 HH11 ARG B 5 17.211 -1.701 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG B 5 17.512 -3.253 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG B 5 16.183 -2.333 -11.202 1.00 0.00 H new ATOM 0 HH22 ARG B 5 16.954 -3.596 -10.237 1.00 0.00 H new ATOM 922 N GLU B 6 13.637 1.667 -5.644 1.00 0.00 N ATOM 923 CA GLU B 6 12.950 0.587 -4.948 1.00 0.00 C ATOM 924 C GLU B 6 11.423 0.730 -4.993 1.00 0.00 C ATOM 925 O GLU B 6 10.724 -0.280 -5.076 1.00 0.00 O ATOM 926 CB GLU B 6 13.445 0.554 -3.494 1.00 0.00 C ATOM 927 CG GLU B 6 14.518 -0.514 -3.272 1.00 0.00 C ATOM 928 CD GLU B 6 14.595 -0.932 -1.790 1.00 0.00 C ATOM 929 OE1 GLU B 6 15.321 -0.277 -1.003 1.00 0.00 O ATOM 930 OE2 GLU B 6 13.935 -1.928 -1.405 1.00 0.00 O ATOM 0 H GLU B 6 14.237 2.226 -5.037 1.00 0.00 H new ATOM 0 HA GLU B 6 13.182 -0.350 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.847 1.531 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.602 0.363 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU B 6 14.298 -1.387 -3.887 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.486 -0.132 -3.595 1.00 0.00 H new ATOM 937 N LEU B 7 10.900 1.962 -4.998 1.00 0.00 N ATOM 938 CA LEU B 7 9.472 2.230 -5.165 1.00 0.00 C ATOM 939 C LEU B 7 9.006 1.808 -6.564 1.00 0.00 C ATOM 940 O LEU B 7 8.099 0.995 -6.696 1.00 0.00 O ATOM 941 CB LEU B 7 9.188 3.715 -4.879 1.00 0.00 C ATOM 942 CG LEU B 7 9.723 4.291 -3.558 1.00 0.00 C ATOM 943 CD1 LEU B 7 9.300 5.753 -3.411 1.00 0.00 C ATOM 944 CD2 LEU B 7 9.263 3.522 -2.322 1.00 0.00 C ATOM 0 H LEU B 7 11.463 2.805 -4.885 1.00 0.00 H new ATOM 0 HA LEU B 7 8.902 1.638 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.605 4.302 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.108 3.862 -4.899 1.00 0.00 H new ATOM 0 HG LEU B 7 10.808 4.200 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU B 7 9.685 6.150 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU B 7 9.701 6.333 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.212 5.819 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU B 7 9.680 3.987 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU B 7 8.175 3.540 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU B 7 9.606 2.489 -2.388 1.00 0.00 H new ATOM 956 N TYR B 8 9.693 2.267 -7.609 1.00 0.00 N ATOM 957 CA TYR B 8 9.515 1.836 -9.008 1.00 0.00 C ATOM 958 C TYR B 8 9.555 0.311 -9.170 1.00 0.00 C ATOM 959 O TYR B 8 8.638 -0.295 -9.727 1.00 0.00 O ATOM 960 CB TYR B 8 10.600 2.526 -9.855 1.00 0.00 C ATOM 961 CG TYR B 8 10.198 3.010 -11.242 1.00 0.00 C ATOM 962 CD1 TYR B 8 9.314 2.272 -12.058 1.00 0.00 C ATOM 963 CD2 TYR B 8 10.713 4.237 -11.713 1.00 0.00 C ATOM 964 CE1 TYR B 8 8.933 2.767 -13.321 1.00 0.00 C ATOM 965 CE2 TYR B 8 10.332 4.735 -12.972 1.00 0.00 C ATOM 966 CZ TYR B 8 9.437 4.003 -13.781 1.00 0.00 C ATOM 967 OH TYR B 8 9.072 4.488 -14.999 1.00 0.00 O ATOM 0 H TYR B 8 10.418 2.977 -7.508 1.00 0.00 H new ATOM 0 HA TYR B 8 8.523 2.132 -9.349 1.00 0.00 H new ATOM 0 HB2 TYR B 8 10.973 3.383 -9.293 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.433 1.832 -9.968 1.00 0.00 H new ATOM 0 HD1 TYR B 8 8.928 1.324 -11.713 1.00 0.00 H new ATOM 0 HD2 TYR B 8 11.405 4.798 -11.102 1.00 0.00 H new ATOM 0 HE1 TYR B 8 8.253 2.199 -13.939 1.00 0.00 H new ATOM 0 HE2 TYR B 8 10.725 5.679 -13.320 1.00 0.00 H new ATOM 0 HH TYR B 8 9.512 5.350 -15.153 1.00 0.00 H new ATOM 977 N LYS B 9 10.590 -0.310 -8.604 1.00 0.00 N ATOM 978 CA LYS B 9 10.825 -1.762 -8.553 1.00 0.00 C ATOM 979 C LYS B 9 9.836 -2.550 -7.670 1.00 0.00 C ATOM 980 O LYS B 9 9.867 -3.783 -7.657 1.00 0.00 O ATOM 981 CB LYS B 9 12.336 -1.961 -8.275 1.00 0.00 C ATOM 982 CG LYS B 9 12.816 -3.322 -7.763 1.00 0.00 C ATOM 983 CD LYS B 9 12.689 -3.373 -6.229 1.00 0.00 C ATOM 984 CE LYS B 9 12.781 -4.817 -5.721 1.00 0.00 C ATOM 985 NZ LYS B 9 11.501 -5.549 -5.924 1.00 0.00 N ATOM 0 H LYS B 9 11.333 0.213 -8.140 1.00 0.00 H new ATOM 0 HA LYS B 9 10.592 -2.226 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.873 -1.747 -9.199 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.640 -1.208 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.225 -4.120 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.852 -3.487 -8.058 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.477 -2.772 -5.775 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.738 -2.936 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.585 -5.337 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.036 -4.816 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.041 -5.705 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 10.873 -4.988 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 11.693 -6.466 -6.375 1.00 0.00 H new ATOM 999 N LEU B 10 8.905 -1.871 -7.003 1.00 0.00 N ATOM 1000 CA LEU B 10 7.702 -2.469 -6.405 1.00 0.00 C ATOM 1001 C LEU B 10 6.442 -2.140 -7.218 1.00 0.00 C ATOM 1002 O LEU B 10 5.659 -3.040 -7.494 1.00 0.00 O ATOM 1003 CB LEU B 10 7.545 -1.983 -4.948 1.00 0.00 C ATOM 1004 CG LEU B 10 8.528 -2.608 -3.942 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.489 -1.832 -2.623 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.174 -4.066 -3.632 1.00 0.00 C ATOM 0 H LEU B 10 8.963 -0.863 -6.857 1.00 0.00 H new ATOM 0 HA LEU B 10 7.823 -3.552 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.668 -0.900 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.528 -2.195 -4.618 1.00 0.00 H new ATOM 0 HG LEU B 10 9.518 -2.565 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.187 -2.280 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.771 -0.794 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.481 -1.868 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU B 10 8.892 -4.471 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.172 -4.114 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.206 -4.652 -4.551 1.00 0.00 H new ATOM 1018 N GLU B 11 6.243 -0.890 -7.642 1.00 0.00 N ATOM 1019 CA GLU B 11 5.019 -0.432 -8.315 1.00 0.00 C ATOM 1020 C GLU B 11 4.857 -1.025 -9.734 1.00 0.00 C ATOM 1021 O GLU B 11 3.769 -1.491 -10.078 1.00 0.00 O ATOM 1022 CB GLU B 11 5.000 1.109 -8.354 1.00 0.00 C ATOM 1023 CG GLU B 11 4.952 1.816 -6.982 1.00 0.00 C ATOM 1024 CD GLU B 11 3.539 1.924 -6.405 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.667 1.038 -6.414 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.998 2.963 -5.986 1.00 0.00 O ATOM 0 H GLU B 11 6.938 -0.153 -7.527 1.00 0.00 H new ATOM 0 HA GLU B 11 4.168 -0.794 -7.738 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.887 1.451 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.136 1.428 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.583 1.273 -6.279 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.374 2.816 -7.082 1.00 0.00 H new ATOM 1033 N GLN B 12 5.915 -1.085 -10.560 1.00 0.00 N ATOM 1034 CA GLN B 12 5.862 -1.751 -11.868 1.00 0.00 C ATOM 1035 C GLN B 12 5.815 -3.282 -11.754 1.00 0.00 C ATOM 1036 O GLN B 12 5.137 -3.944 -12.542 1.00 0.00 O ATOM 1037 CB GLN B 12 7.071 -1.309 -12.704 1.00 0.00 C ATOM 1038 CG GLN B 12 6.624 -0.509 -13.926 1.00 0.00 C ATOM 1039 CD GLN B 12 5.978 -1.371 -15.014 1.00 0.00 C ATOM 1040 OE1 GLN B 12 6.542 -2.347 -15.494 1.00 0.00 O ATOM 1041 NE2 GLN B 12 4.775 -1.054 -15.447 1.00 0.00 N ATOM 0 H GLN B 12 6.823 -0.676 -10.340 1.00 0.00 H new ATOM 0 HA GLN B 12 4.936 -1.453 -12.359 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.740 -0.703 -12.092 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.637 -2.184 -13.024 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.915 0.256 -13.610 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.486 0.009 -14.347 1.00 0.00 H new ATOM 0 HE21 GLN B 12 4.290 -0.245 -15.059 1.00 0.00 H new ATOM 0 HE22 GLN B 12 4.328 -1.618 -16.170 1.00 0.00 H new ATOM 1050 N GLN B 13 6.488 -3.848 -10.746 1.00 0.00 N ATOM 1051 CA GLN B 13 6.390 -5.269 -10.406 1.00 0.00 C ATOM 1052 C GLN B 13 4.945 -5.646 -10.040 1.00 0.00 C ATOM 1053 O GLN B 13 4.389 -6.586 -10.606 1.00 0.00 O ATOM 1054 CB GLN B 13 7.390 -5.605 -9.298 1.00 0.00 C ATOM 1055 CG GLN B 13 8.550 -6.488 -9.789 1.00 0.00 C ATOM 1056 CD GLN B 13 8.108 -7.898 -10.192 1.00 0.00 C ATOM 1057 OE1 GLN B 13 7.453 -8.615 -9.449 1.00 0.00 O ATOM 1058 NE2 GLN B 13 8.446 -8.355 -11.382 1.00 0.00 N ATOM 0 H GLN B 13 7.121 -3.327 -10.139 1.00 0.00 H new ATOM 0 HA GLN B 13 6.651 -5.871 -11.276 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.793 -4.680 -8.886 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.869 -6.115 -8.487 1.00 0.00 H new ATOM 0 HG2 GLN B 13 9.028 -6.007 -10.642 1.00 0.00 H new ATOM 0 HG3 GLN B 13 9.301 -6.561 -9.002 1.00 0.00 H new ATOM 0 HE21 GLN B 13 8.992 -7.772 -12.016 1.00 0.00 H new ATOM 0 HE22 GLN B 13 8.161 -9.292 -11.668 1.00 0.00 H new ATOM 1067 N ALA B 14 4.304 -4.850 -9.179 1.00 0.00 N ATOM 1068 CA ALA B 14 2.897 -4.973 -8.815 1.00 0.00 C ATOM 1069 C ALA B 14 1.970 -4.916 -10.036 1.00 0.00 C ATOM 1070 O ALA B 14 1.107 -5.775 -10.184 1.00 0.00 O ATOM 1071 CB ALA B 14 2.550 -3.861 -7.821 1.00 0.00 C ATOM 0 H ALA B 14 4.770 -4.078 -8.703 1.00 0.00 H new ATOM 0 HA ALA B 14 2.743 -5.950 -8.358 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.500 -3.940 -7.539 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.173 -3.960 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.730 -2.890 -8.283 1.00 0.00 H new ATOM 1077 N MET B 15 2.162 -3.945 -10.937 1.00 0.00 N ATOM 1078 CA MET B 15 1.338 -3.785 -12.144 1.00 0.00 C ATOM 1079 C MET B 15 1.251 -5.057 -12.984 1.00 0.00 C ATOM 1080 O MET B 15 0.154 -5.490 -13.341 1.00 0.00 O ATOM 1081 CB MET B 15 1.878 -2.607 -12.970 1.00 0.00 C ATOM 1082 CG MET B 15 1.042 -2.334 -14.229 1.00 0.00 C ATOM 1083 SD MET B 15 0.611 -0.593 -14.472 1.00 0.00 S ATOM 1084 CE MET B 15 -0.571 -0.447 -13.107 1.00 0.00 C ATOM 0 H MET B 15 2.897 -3.244 -10.850 1.00 0.00 H new ATOM 0 HA MET B 15 0.317 -3.576 -11.825 1.00 0.00 H new ATOM 0 HB2 MET B 15 1.896 -1.711 -12.349 1.00 0.00 H new ATOM 0 HB3 MET B 15 2.908 -2.814 -13.260 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.594 -2.685 -15.101 1.00 0.00 H new ATOM 0 HG3 MET B 15 0.124 -2.920 -14.176 1.00 0.00 H new ATOM 0 HE1 MET B 15 -0.966 0.568 -13.075 1.00 0.00 H new ATOM 0 HE2 MET B 15 -1.390 -1.150 -13.258 1.00 0.00 H new ATOM 0 HE3 MET B 15 -0.069 -0.671 -12.166 1.00 0.00 H new ATOM 1094 N LYS B 16 2.399 -5.689 -13.232 1.00 0.00 N ATOM 1095 CA LYS B 16 2.523 -6.937 -13.997 1.00 0.00 C ATOM 1096 C LYS B 16 1.709 -8.093 -13.406 1.00 0.00 C ATOM 1097 O LYS B 16 1.201 -8.934 -14.143 1.00 0.00 O ATOM 1098 CB LYS B 16 4.014 -7.293 -14.053 1.00 0.00 C ATOM 1099 CG LYS B 16 4.401 -7.892 -15.416 1.00 0.00 C ATOM 1100 CD LYS B 16 5.918 -8.034 -15.629 1.00 0.00 C ATOM 1101 CE LYS B 16 6.619 -6.669 -15.723 1.00 0.00 C ATOM 1102 NZ LYS B 16 8.038 -6.806 -16.149 1.00 0.00 N ATOM 0 H LYS B 16 3.297 -5.339 -12.897 1.00 0.00 H new ATOM 0 HA LYS B 16 2.114 -6.780 -14.995 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.610 -6.400 -13.865 1.00 0.00 H new ATOM 0 HB3 LYS B 16 4.249 -8.005 -13.262 1.00 0.00 H new ATOM 0 HG2 LYS B 16 3.937 -8.873 -15.515 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.991 -7.264 -16.207 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.347 -8.606 -14.806 1.00 0.00 H new ATOM 0 HD3 LYS B 16 6.104 -8.600 -16.542 1.00 0.00 H new ATOM 0 HE2 LYS B 16 6.086 -6.035 -16.431 1.00 0.00 H new ATOM 0 HE3 LYS B 16 6.577 -6.171 -14.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 8.477 -5.865 -16.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 8.552 -7.391 -15.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 8.077 -7.259 -17.085 1.00 0.00 H new ATOM 1116 N LEU B 17 1.568 -8.114 -12.081 1.00 0.00 N ATOM 1117 CA LEU B 17 0.896 -9.150 -11.309 1.00 0.00 C ATOM 1118 C LEU B 17 -0.596 -8.860 -11.158 1.00 0.00 C ATOM 1119 O LEU B 17 -1.423 -9.764 -11.280 1.00 0.00 O ATOM 1120 CB LEU B 17 1.551 -9.193 -9.924 1.00 0.00 C ATOM 1121 CG LEU B 17 3.037 -9.544 -9.998 1.00 0.00 C ATOM 1122 CD1 LEU B 17 3.702 -9.253 -8.656 1.00 0.00 C ATOM 1123 CD2 LEU B 17 3.301 -10.995 -10.396 1.00 0.00 C ATOM 0 H LEU B 17 1.939 -7.370 -11.491 1.00 0.00 H new ATOM 0 HA LEU B 17 0.992 -10.105 -11.826 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.432 -8.225 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.037 -9.927 -9.303 1.00 0.00 H new ATOM 0 HG LEU B 17 3.465 -8.921 -10.783 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.761 -9.504 -8.713 1.00 0.00 H new ATOM 0 HD12 LEU B 17 3.592 -8.195 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.228 -9.851 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU B 17 4.376 -11.174 -10.429 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.844 -11.662 -9.664 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.871 -11.187 -11.379 1.00 0.00 H new ATOM 1135 N TYR B 18 -0.943 -7.584 -10.950 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.329 -7.149 -10.792 1.00 0.00 C ATOM 1137 C TYR B 18 -3.164 -7.485 -12.043 1.00 0.00 C ATOM 1138 O TYR B 18 -4.294 -7.955 -11.935 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.350 -5.639 -10.504 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.360 -5.218 -9.045 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.439 -5.595 -8.221 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.364 -4.359 -8.535 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.526 -5.122 -6.899 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.437 -3.896 -7.206 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.522 -4.275 -6.387 1.00 0.00 C ATOM 1146 OH TYR B 18 -2.614 -3.797 -5.119 1.00 0.00 O ATOM 0 H TYR B 18 -0.265 -6.824 -10.887 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.778 -7.682 -9.954 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.478 -5.191 -10.980 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.231 -5.214 -10.986 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.205 -6.252 -8.607 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.542 -4.055 -9.166 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.361 -5.408 -6.277 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.663 -3.252 -6.815 1.00 0.00 H new ATOM 0 HH TYR B 18 -3.096 -4.442 -4.560 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.579 -7.295 -13.232 1.00 0.00 N ATOM 1157 CA ARG B 19 -3.185 -7.643 -14.537 1.00 0.00 C ATOM 1158 C ARG B 19 -3.287 -9.149 -14.799 1.00 0.00 C ATOM 1159 O ARG B 19 -4.220 -9.583 -15.472 1.00 0.00 O ATOM 1160 CB ARG B 19 -2.476 -6.934 -15.712 1.00 0.00 C ATOM 1161 CG ARG B 19 -1.028 -7.384 -16.002 1.00 0.00 C ATOM 1162 CD ARG B 19 -0.549 -6.974 -17.400 1.00 0.00 C ATOM 1163 NE ARG B 19 -1.112 -7.859 -18.442 1.00 0.00 N ATOM 1164 CZ ARG B 19 -0.887 -7.802 -19.743 1.00 0.00 C ATOM 1165 NH1 ARG B 19 -0.148 -6.873 -20.282 1.00 0.00 N ATOM 1166 NH2 ARG B 19 -1.406 -8.694 -20.539 1.00 0.00 N ATOM 0 H ARG B 19 -1.649 -6.886 -13.323 1.00 0.00 H new ATOM 0 HA ARG B 19 -4.209 -7.274 -14.473 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -3.070 -7.086 -16.613 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -2.469 -5.862 -15.512 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.362 -6.955 -15.254 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -0.962 -8.468 -15.903 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.841 -5.943 -17.599 1.00 0.00 H new ATOM 0 HD3 ARG B 19 0.540 -7.010 -17.439 1.00 0.00 H new ATOM 0 HE ARG B 19 -1.743 -8.594 -18.122 1.00 0.00 H new ATOM 0 HH11 ARG B 19 0.280 -6.157 -19.695 1.00 0.00 H new ATOM 0 HH12 ARG B 19 0.003 -6.862 -21.291 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -1.988 -9.440 -20.158 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -1.230 -8.646 -21.543 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.343 -9.946 -14.293 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.287 -11.396 -14.533 1.00 0.00 C ATOM 1182 C GLU B 20 -3.433 -12.104 -13.802 1.00 0.00 C ATOM 1183 O GLU B 20 -4.243 -12.818 -14.396 1.00 0.00 O ATOM 1184 CB GLU B 20 -0.933 -11.934 -14.039 1.00 0.00 C ATOM 1185 CG GLU B 20 -0.503 -13.247 -14.708 1.00 0.00 C ATOM 1186 CD GLU B 20 0.011 -13.030 -16.147 1.00 0.00 C ATOM 1187 OE1 GLU B 20 -0.815 -12.941 -17.087 1.00 0.00 O ATOM 1188 OE2 GLU B 20 1.249 -12.967 -16.353 1.00 0.00 O ATOM 0 H GLU B 20 -1.588 -9.603 -13.699 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.392 -11.589 -15.601 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.167 -11.179 -14.217 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -0.986 -12.087 -12.961 1.00 0.00 H new ATOM 0 HG2 GLU B 20 0.279 -13.717 -14.112 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -1.347 -13.936 -14.726 1.00 0.00 H new ATOM 1195 N ALA B 21 -3.540 -11.816 -12.506 1.00 0.00 N ATOM 1196 CA ALA B 21 -4.614 -12.269 -11.626 1.00 0.00 C ATOM 1197 C ALA B 21 -5.797 -11.278 -11.609 1.00 0.00 C ATOM 1198 O ALA B 21 -6.168 -10.739 -10.567 1.00 0.00 O ATOM 1199 CB ALA B 21 -4.025 -12.538 -10.243 1.00 0.00 C ATOM 0 H ALA B 21 -2.853 -11.238 -12.022 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.039 -13.199 -12.003 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -4.814 -12.878 -9.571 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.256 -13.307 -10.318 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -3.584 -11.622 -9.851 1.00 0.00 H new ATOM 1205 N SER B 22 -6.391 -11.047 -12.784 1.00 0.00 N ATOM 1206 CA SER B 22 -7.541 -10.143 -12.968 1.00 0.00 C ATOM 1207 C SER B 22 -8.712 -10.846 -13.645 1.00 0.00 C ATOM 1208 O SER B 22 -9.825 -10.859 -13.127 1.00 0.00 O ATOM 1209 CB SER B 22 -7.112 -8.938 -13.811 1.00 0.00 C ATOM 1210 OG SER B 22 -8.046 -7.881 -13.683 1.00 0.00 O ATOM 0 H SER B 22 -6.084 -11.488 -13.651 1.00 0.00 H new ATOM 0 HA SER B 22 -7.872 -9.817 -11.982 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.126 -8.599 -13.495 1.00 0.00 H new ATOM 0 HB3 SER B 22 -7.028 -9.231 -14.857 1.00 0.00 H new ATOM 0 HG SER B 22 -7.755 -7.119 -14.227 1.00 0.00 H new ATOM 1216 N GLU B 23 -8.444 -11.521 -14.762 1.00 0.00 N ATOM 1217 CA GLU B 23 -9.438 -12.294 -15.525 1.00 0.00 C ATOM 1218 C GLU B 23 -9.894 -13.551 -14.761 1.00 0.00 C ATOM 1219 O GLU B 23 -11.085 -13.870 -14.736 1.00 0.00 O ATOM 1220 CB GLU B 23 -8.834 -12.655 -16.894 1.00 0.00 C ATOM 1221 CG GLU B 23 -9.862 -13.265 -17.856 1.00 0.00 C ATOM 1222 CD GLU B 23 -9.236 -13.526 -19.241 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -9.266 -12.618 -20.109 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -8.716 -14.644 -19.477 1.00 0.00 O ATOM 0 H GLU B 23 -7.512 -11.550 -15.175 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.331 -11.686 -15.670 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.408 -11.759 -17.345 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -8.015 -13.360 -16.750 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -10.242 -14.199 -17.443 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -10.713 -12.592 -17.959 1.00 0.00 H new ATOM 1231 N ARG B 24 -8.956 -14.231 -14.082 1.00 0.00 N ATOM 1232 CA ARG B 24 -9.231 -15.385 -13.205 1.00 0.00 C ATOM 1233 C ARG B 24 -9.952 -14.987 -11.908 1.00 0.00 C ATOM 1234 O ARG B 24 -10.754 -15.762 -11.386 1.00 0.00 O ATOM 1235 CB ARG B 24 -7.901 -16.104 -12.901 1.00 0.00 C ATOM 1236 CG ARG B 24 -8.113 -17.540 -12.393 1.00 0.00 C ATOM 1237 CD ARG B 24 -6.777 -18.200 -12.027 1.00 0.00 C ATOM 1238 NE ARG B 24 -6.955 -19.635 -11.726 1.00 0.00 N ATOM 1239 CZ ARG B 24 -6.103 -20.430 -11.102 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -4.974 -19.996 -10.614 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -6.373 -21.695 -10.955 1.00 0.00 N ATOM 0 H ARG B 24 -7.966 -13.991 -14.127 1.00 0.00 H new ATOM 0 HA ARG B 24 -9.910 -16.058 -13.728 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.289 -16.127 -13.803 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.346 -15.536 -12.154 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -8.767 -17.528 -11.521 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -8.615 -18.130 -13.160 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.073 -18.083 -12.851 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.344 -17.696 -11.163 1.00 0.00 H new ATOM 0 HE ARG B 24 -7.831 -20.059 -12.033 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -4.723 -19.012 -10.708 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -4.342 -20.641 -10.139 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -7.245 -22.076 -11.322 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -5.713 -22.305 -10.473 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.666 -13.787 -11.390 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.185 -13.287 -10.100 1.00 0.00 C ATOM 1257 C VAL B 25 -11.568 -12.633 -10.260 1.00 0.00 C ATOM 1258 O VAL B 25 -12.470 -12.892 -9.462 1.00 0.00 O ATOM 1259 CB VAL B 25 -9.153 -12.340 -9.457 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -9.647 -11.691 -8.163 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -7.866 -13.110 -9.119 1.00 0.00 C ATOM 0 H VAL B 25 -9.056 -13.119 -11.861 1.00 0.00 H new ATOM 0 HA VAL B 25 -10.332 -14.131 -9.426 1.00 0.00 H new ATOM 0 HB VAL B 25 -8.977 -11.556 -10.193 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -8.871 -11.037 -7.764 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -10.544 -11.106 -8.368 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -9.879 -12.466 -7.433 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -7.144 -12.431 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -8.096 -13.914 -8.420 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -7.444 -13.531 -10.031 1.00 0.00 H new ATOM 1271 N GLY B 26 -11.773 -11.854 -11.327 1.00 0.00 N ATOM 1272 CA GLY B 26 -13.080 -11.358 -11.780 1.00 0.00 C ATOM 1273 C GLY B 26 -13.677 -10.178 -10.998 1.00 0.00 C ATOM 1274 O GLY B 26 -14.806 -9.777 -11.284 1.00 0.00 O ATOM 0 H GLY B 26 -11.006 -11.539 -11.922 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -12.989 -11.063 -12.825 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.789 -12.185 -11.743 1.00 0.00 H new ATOM 1278 N ASP B 27 -12.966 -9.615 -10.013 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.472 -8.517 -9.174 1.00 0.00 C ATOM 1280 C ASP B 27 -13.295 -7.132 -9.842 1.00 0.00 C ATOM 1281 O ASP B 27 -12.222 -6.844 -10.384 1.00 0.00 O ATOM 1282 CB ASP B 27 -12.784 -8.552 -7.802 1.00 0.00 C ATOM 1283 CG ASP B 27 -13.311 -9.723 -6.954 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -14.526 -9.743 -6.647 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -12.514 -10.618 -6.589 1.00 0.00 O ATOM 0 H ASP B 27 -12.019 -9.908 -9.773 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.544 -8.666 -9.046 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -11.706 -8.649 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.958 -7.612 -7.279 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.313 -6.245 -9.798 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.312 -4.996 -10.564 1.00 0.00 C ATOM 1292 C PRO B 28 -13.357 -3.932 -10.008 1.00 0.00 C ATOM 1293 O PRO B 28 -12.736 -3.208 -10.787 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.766 -4.509 -10.545 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.329 -5.094 -9.251 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.597 -6.428 -9.133 1.00 0.00 C ATOM 0 HA PRO B 28 -13.945 -5.175 -11.575 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.823 -3.421 -10.550 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.317 -4.862 -11.417 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.131 -4.448 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.409 -5.229 -9.305 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.459 -6.705 -8.088 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.168 -7.229 -9.602 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.192 -3.835 -8.680 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.283 -2.846 -8.066 1.00 0.00 C ATOM 1306 C VAL B 29 -10.813 -3.110 -8.418 1.00 0.00 C ATOM 1307 O VAL B 29 -10.042 -2.167 -8.566 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.530 -2.712 -6.548 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.036 -3.897 -5.711 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -11.908 -1.428 -5.991 1.00 0.00 C ATOM 0 H VAL B 29 -13.676 -4.429 -8.007 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.518 -1.875 -8.501 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.616 -2.686 -6.458 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.252 -3.714 -4.658 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.543 -4.806 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -10.961 -4.014 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.101 -1.365 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.832 -1.439 -6.166 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -12.348 -0.564 -6.490 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.432 -4.369 -8.669 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.103 -4.766 -9.147 1.00 0.00 C ATOM 1322 C LEU B 30 -8.739 -4.079 -10.480 1.00 0.00 C ATOM 1323 O LEU B 30 -7.642 -3.535 -10.628 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.092 -6.307 -9.238 1.00 0.00 C ATOM 1325 CG LEU B 30 -7.729 -6.948 -8.934 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -7.902 -8.456 -8.766 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -6.691 -6.706 -10.028 1.00 0.00 C ATOM 0 H LEU B 30 -11.060 -5.163 -8.541 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.331 -4.437 -8.452 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -9.831 -6.706 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -9.404 -6.603 -10.240 1.00 0.00 H new ATOM 0 HG LEU B 30 -7.364 -6.480 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -6.935 -8.911 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -8.588 -8.654 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -8.306 -8.881 -9.685 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -5.752 -7.185 -9.751 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -7.049 -7.126 -10.968 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -6.531 -5.634 -10.147 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.691 -4.000 -11.416 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.523 -3.283 -12.682 1.00 0.00 C ATOM 1341 C ALA B 31 -9.337 -1.756 -12.513 1.00 0.00 C ATOM 1342 O ALA B 31 -8.735 -1.115 -13.378 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.715 -3.605 -13.592 1.00 0.00 C ATOM 0 H ALA B 31 -10.607 -4.436 -11.314 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.596 -3.628 -13.139 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.603 -3.077 -14.539 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.752 -4.679 -13.777 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.639 -3.288 -13.107 1.00 0.00 H new ATOM 1349 N LYS B 32 -9.806 -1.170 -11.398 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.648 0.263 -11.074 1.00 0.00 C ATOM 1351 C LYS B 32 -8.422 0.551 -10.196 1.00 0.00 C ATOM 1352 O LYS B 32 -7.840 1.630 -10.295 1.00 0.00 O ATOM 1353 CB LYS B 32 -10.926 0.824 -10.426 1.00 0.00 C ATOM 1354 CG LYS B 32 -12.202 0.469 -11.212 1.00 0.00 C ATOM 1355 CD LYS B 32 -13.372 1.422 -10.914 1.00 0.00 C ATOM 1356 CE LYS B 32 -13.276 2.744 -11.696 1.00 0.00 C ATOM 1357 NZ LYS B 32 -13.608 2.569 -13.137 1.00 0.00 N ATOM 0 H LYS B 32 -10.316 -1.687 -10.681 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.478 0.774 -12.021 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.012 0.438 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.843 1.908 -10.349 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -11.984 0.492 -12.280 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -12.500 -0.551 -10.970 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -14.311 0.926 -11.161 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -13.396 1.638 -9.846 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -13.953 3.475 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.267 3.147 -11.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -13.597 3.495 -13.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.906 1.944 -13.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -14.554 2.146 -13.226 1.00 0.00 H new ATOM 1371 N ILE B 33 -7.966 -0.428 -9.411 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.681 -0.384 -8.698 1.00 0.00 C ATOM 1373 C ILE B 33 -5.523 -0.184 -9.700 1.00 0.00 C ATOM 1374 O ILE B 33 -4.644 0.643 -9.460 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.506 -1.644 -7.824 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.386 -1.466 -6.567 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -5.041 -1.890 -7.422 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.567 -2.747 -5.758 1.00 0.00 C ATOM 0 H ILE B 33 -8.486 -1.290 -9.248 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.668 0.471 -8.021 1.00 0.00 H new ATOM 0 HB ILE B 33 -6.810 -2.518 -8.400 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.941 -0.703 -5.928 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.366 -1.097 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -4.978 -2.789 -6.809 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.435 -2.019 -8.318 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.671 -1.036 -6.854 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -8.196 -2.544 -4.891 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -8.041 -3.506 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.594 -3.107 -5.424 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.552 -0.865 -10.859 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.580 -0.684 -11.955 1.00 0.00 C ATOM 1392 C LEU B 34 -4.443 0.781 -12.394 1.00 0.00 C ATOM 1393 O LEU B 34 -3.337 1.295 -12.533 1.00 0.00 O ATOM 1394 CB LEU B 34 -5.011 -1.516 -13.181 1.00 0.00 C ATOM 1395 CG LEU B 34 -4.841 -3.031 -13.027 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -5.537 -3.767 -14.172 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -3.363 -3.433 -13.057 1.00 0.00 C ATOM 0 H LEU B 34 -6.262 -1.568 -11.065 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.616 -1.016 -11.571 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.058 -1.303 -13.396 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.435 -1.187 -14.046 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.281 -3.301 -12.067 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.406 -4.842 -14.047 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.600 -3.528 -14.165 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -5.101 -3.457 -15.122 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.278 -4.514 -12.945 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.923 -3.130 -14.007 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -2.835 -2.941 -12.240 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.575 1.453 -12.589 1.00 0.00 N ATOM 1410 CA GLU B 35 -5.680 2.850 -13.021 1.00 0.00 C ATOM 1411 C GLU B 35 -5.034 3.826 -12.024 1.00 0.00 C ATOM 1412 O GLU B 35 -4.387 4.799 -12.411 1.00 0.00 O ATOM 1413 CB GLU B 35 -7.179 3.160 -13.171 1.00 0.00 C ATOM 1414 CG GLU B 35 -7.648 3.259 -14.621 1.00 0.00 C ATOM 1415 CD GLU B 35 -7.723 4.720 -15.108 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -6.676 5.301 -15.483 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -8.837 5.298 -15.126 1.00 0.00 O ATOM 0 H GLU B 35 -6.488 1.021 -12.444 1.00 0.00 H new ATOM 0 HA GLU B 35 -5.143 2.980 -13.961 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -7.753 2.383 -12.666 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.398 4.099 -12.663 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.967 2.699 -15.261 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -8.629 2.795 -14.717 1.00 0.00 H new ATOM 1424 N ASP B 36 -5.175 3.544 -10.731 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.544 4.288 -9.649 1.00 0.00 C ATOM 1426 C ASP B 36 -3.026 4.043 -9.590 1.00 0.00 C ATOM 1427 O ASP B 36 -2.253 4.989 -9.425 1.00 0.00 O ATOM 1428 CB ASP B 36 -5.200 3.862 -8.333 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.622 4.402 -8.102 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -6.994 5.467 -8.654 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -7.351 3.771 -7.302 1.00 0.00 O ATOM 0 H ASP B 36 -5.749 2.768 -10.400 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.684 5.355 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.233 2.773 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.567 4.188 -7.508 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.571 2.797 -9.778 1.00 0.00 N ATOM 1437 CA GLU B 37 -1.137 2.480 -9.855 1.00 0.00 C ATOM 1438 C GLU B 37 -0.435 3.084 -11.101 1.00 0.00 C ATOM 1439 O GLU B 37 0.792 3.129 -11.131 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.878 0.959 -9.776 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.352 0.195 -8.522 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.719 0.578 -7.178 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.135 1.492 -7.078 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -1.102 -0.001 -6.128 1.00 0.00 O ATOM 0 H GLU B 37 -3.180 1.986 -9.880 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.693 2.955 -8.980 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -1.350 0.497 -10.643 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.196 0.800 -9.875 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.431 0.327 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -1.173 -0.867 -8.688 1.00 0.00 H new ATOM 1451 N GLU B 38 -1.150 3.597 -12.116 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.527 4.349 -13.226 1.00 0.00 C ATOM 1453 C GLU B 38 -0.047 5.750 -12.802 1.00 0.00 C ATOM 1454 O GLU B 38 1.082 6.137 -13.124 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.470 4.484 -14.434 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.680 3.153 -15.167 1.00 0.00 C ATOM 1457 CD GLU B 38 -2.503 3.341 -16.459 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -1.974 3.919 -17.442 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -3.671 2.887 -16.516 1.00 0.00 O ATOM 0 H GLU B 38 -2.163 3.506 -12.194 1.00 0.00 H new ATOM 0 HA GLU B 38 0.343 3.761 -13.516 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.434 4.866 -14.097 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -1.062 5.218 -15.129 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.712 2.715 -15.412 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.191 2.451 -14.508 1.00 0.00 H new ATOM 1466 N LYS B 39 -0.846 6.492 -12.013 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.424 7.780 -11.417 1.00 0.00 C ATOM 1468 C LYS B 39 0.848 7.601 -10.587 1.00 0.00 C ATOM 1469 O LYS B 39 1.768 8.411 -10.654 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.524 8.380 -10.518 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.643 9.144 -11.241 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.609 8.246 -12.028 1.00 0.00 C ATOM 1473 CE LYS B 39 -4.794 9.041 -12.598 1.00 0.00 C ATOM 1474 NZ LYS B 39 -5.731 9.505 -11.539 1.00 0.00 N ATOM 0 H LYS B 39 -1.798 6.220 -11.770 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.233 8.464 -12.244 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -1.976 7.572 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.053 9.055 -9.804 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -3.211 9.715 -10.507 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.193 9.863 -11.926 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -3.072 7.761 -12.843 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -3.982 7.455 -11.377 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -4.418 9.903 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -5.336 8.419 -13.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -6.586 9.900 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -5.994 8.702 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -5.269 10.237 -10.963 1.00 0.00 H new ATOM 1488 N HIS B 40 0.918 6.482 -9.866 1.00 0.00 N ATOM 1489 CA HIS B 40 2.034 6.065 -9.020 1.00 0.00 C ATOM 1490 C HIS B 40 3.331 5.711 -9.762 1.00 0.00 C ATOM 1491 O HIS B 40 4.317 5.407 -9.101 1.00 0.00 O ATOM 1492 CB HIS B 40 1.601 4.832 -8.235 1.00 0.00 C ATOM 1493 CG HIS B 40 0.562 5.020 -7.163 1.00 0.00 C ATOM 1494 ND1 HIS B 40 0.296 4.076 -6.161 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.268 6.090 -7.007 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -0.711 4.612 -5.437 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.059 5.813 -5.924 1.00 0.00 N ATOM 0 H HIS B 40 0.155 5.805 -9.857 1.00 0.00 H new ATOM 0 HA HIS B 40 2.266 6.927 -8.394 1.00 0.00 H new ATOM 0 HB2 HIS B 40 1.222 4.097 -8.945 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.488 4.400 -7.772 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.296 6.981 -7.617 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.173 4.139 -4.583 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -1.790 6.418 -5.550 1.00 0.00 H new ATOM 1505 N ILE B 41 3.342 5.740 -11.095 1.00 0.00 N ATOM 1506 CA ILE B 41 4.528 5.555 -11.953 1.00 0.00 C ATOM 1507 C ILE B 41 4.829 6.853 -12.724 1.00 0.00 C ATOM 1508 O ILE B 41 5.990 7.249 -12.825 1.00 0.00 O ATOM 1509 CB ILE B 41 4.286 4.391 -12.951 1.00 0.00 C ATOM 1510 CG1 ILE B 41 4.097 3.015 -12.275 1.00 0.00 C ATOM 1511 CG2 ILE B 41 5.391 4.299 -14.020 1.00 0.00 C ATOM 1512 CD1 ILE B 41 5.346 2.414 -11.625 1.00 0.00 C ATOM 0 H ILE B 41 2.492 5.899 -11.636 1.00 0.00 H new ATOM 0 HA ILE B 41 5.384 5.310 -11.324 1.00 0.00 H new ATOM 0 HB ILE B 41 3.343 4.643 -13.436 1.00 0.00 H new ATOM 0 HG12 ILE B 41 3.324 3.109 -11.513 1.00 0.00 H new ATOM 0 HG13 ILE B 41 3.725 2.313 -13.021 1.00 0.00 H new ATOM 0 HG21 ILE B 41 5.177 3.470 -14.694 1.00 0.00 H new ATOM 0 HG22 ILE B 41 5.426 5.229 -14.588 1.00 0.00 H new ATOM 0 HG23 ILE B 41 6.353 4.133 -13.535 1.00 0.00 H new ATOM 0 HD11 ILE B 41 5.097 1.450 -11.182 1.00 0.00 H new ATOM 0 HD12 ILE B 41 6.120 2.278 -12.381 1.00 0.00 H new ATOM 0 HD13 ILE B 41 5.711 3.086 -10.849 1.00 0.00 H new ATOM 1524 N GLU B 42 3.807 7.562 -13.222 1.00 0.00 N ATOM 1525 CA GLU B 42 3.992 8.877 -13.856 1.00 0.00 C ATOM 1526 C GLU B 42 4.570 9.908 -12.875 1.00 0.00 C ATOM 1527 O GLU B 42 5.615 10.504 -13.151 1.00 0.00 O ATOM 1528 CB GLU B 42 2.669 9.394 -14.444 1.00 0.00 C ATOM 1529 CG GLU B 42 2.353 8.739 -15.794 1.00 0.00 C ATOM 1530 CD GLU B 42 1.096 9.361 -16.435 1.00 0.00 C ATOM 1531 OE1 GLU B 42 1.163 10.521 -16.912 1.00 0.00 O ATOM 1532 OE2 GLU B 42 0.035 8.692 -16.486 1.00 0.00 O ATOM 0 H GLU B 42 2.838 7.246 -13.198 1.00 0.00 H new ATOM 0 HA GLU B 42 4.710 8.743 -14.665 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.857 9.195 -13.744 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.724 10.475 -14.568 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.203 8.856 -16.466 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.202 7.668 -15.655 1.00 0.00 H new ATOM 1539 N TRP B 43 3.954 10.070 -11.697 1.00 0.00 N ATOM 1540 CA TRP B 43 4.489 10.919 -10.627 1.00 0.00 C ATOM 1541 C TRP B 43 5.840 10.407 -10.105 1.00 0.00 C ATOM 1542 O TRP B 43 6.684 11.210 -9.717 1.00 0.00 O ATOM 1543 CB TRP B 43 3.482 11.014 -9.472 1.00 0.00 C ATOM 1544 CG TRP B 43 2.142 11.638 -9.753 1.00 0.00 C ATOM 1545 CD1 TRP B 43 1.869 12.597 -10.670 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.879 11.397 -9.055 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.537 12.961 -10.582 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.116 12.269 -9.588 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.481 10.550 -8.000 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.428 12.309 -9.094 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -0.831 10.584 -7.486 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -1.785 11.463 -8.030 1.00 0.00 C ATOM 0 H TRP B 43 3.072 9.616 -11.460 1.00 0.00 H new ATOM 0 HA TRP B 43 4.654 11.910 -11.050 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.309 10.006 -9.096 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.951 11.578 -8.666 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.583 13.014 -11.365 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.093 13.657 -11.181 1.00 0.00 H new ATOM 0 HE3 TRP B 43 1.197 9.861 -7.577 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.155 12.981 -9.526 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.105 9.932 -6.670 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -2.788 11.488 -7.631 1.00 0.00 H new ATOM 1563 N LEU B 44 6.070 9.088 -10.129 1.00 0.00 N ATOM 1564 CA LEU B 44 7.323 8.445 -9.717 1.00 0.00 C ATOM 1565 C LEU B 44 8.517 8.957 -10.526 1.00 0.00 C ATOM 1566 O LEU B 44 9.466 9.504 -9.969 1.00 0.00 O ATOM 1567 CB LEU B 44 7.168 6.929 -9.916 1.00 0.00 C ATOM 1568 CG LEU B 44 7.853 6.045 -8.881 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.615 4.588 -9.214 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.353 6.297 -8.730 1.00 0.00 C ATOM 0 H LEU B 44 5.368 8.419 -10.445 1.00 0.00 H new ATOM 0 HA LEU B 44 7.517 8.683 -8.671 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.104 6.690 -9.921 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.558 6.670 -10.900 1.00 0.00 H new ATOM 0 HG LEU B 44 7.404 6.306 -7.922 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.107 3.960 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.544 4.384 -9.210 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.022 4.369 -10.201 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.760 5.626 -7.974 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.850 6.115 -9.683 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.520 7.330 -8.426 1.00 0.00 H new ATOM 1582 N GLU B 45 8.445 8.804 -11.849 1.00 0.00 N ATOM 1583 CA GLU B 45 9.492 9.240 -12.777 1.00 0.00 C ATOM 1584 C GLU B 45 9.714 10.758 -12.701 1.00 0.00 C ATOM 1585 O GLU B 45 10.857 11.215 -12.660 1.00 0.00 O ATOM 1586 CB GLU B 45 9.135 8.814 -14.209 1.00 0.00 C ATOM 1587 CG GLU B 45 10.384 8.797 -15.104 1.00 0.00 C ATOM 1588 CD GLU B 45 10.034 8.516 -16.579 1.00 0.00 C ATOM 1589 OE1 GLU B 45 9.499 9.424 -17.263 1.00 0.00 O ATOM 1590 OE2 GLU B 45 10.324 7.402 -17.080 1.00 0.00 O ATOM 0 H GLU B 45 7.648 8.368 -12.313 1.00 0.00 H new ATOM 0 HA GLU B 45 10.426 8.759 -12.487 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.679 7.824 -14.195 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.396 9.500 -14.623 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.896 9.756 -15.029 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.077 8.036 -14.745 1.00 0.00 H new ATOM 1597 N THR B 46 8.629 11.535 -12.605 1.00 0.00 N ATOM 1598 CA THR B 46 8.684 12.992 -12.388 1.00 0.00 C ATOM 1599 C THR B 46 9.434 13.360 -11.105 1.00 0.00 C ATOM 1600 O THR B 46 10.362 14.171 -11.151 1.00 0.00 O ATOM 1601 CB THR B 46 7.277 13.610 -12.399 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.681 13.440 -13.669 1.00 0.00 O ATOM 1603 CG2 THR B 46 7.258 15.113 -12.106 1.00 0.00 C ATOM 0 H THR B 46 7.679 11.171 -12.676 1.00 0.00 H new ATOM 0 HA THR B 46 9.248 13.413 -13.220 1.00 0.00 H new ATOM 0 HB THR B 46 6.734 13.092 -11.609 1.00 0.00 H new ATOM 0 HG1 THR B 46 6.273 12.550 -13.723 1.00 0.00 H new ATOM 0 HG21 THR B 46 6.230 15.476 -12.131 1.00 0.00 H new ATOM 0 HG22 THR B 46 7.683 15.297 -11.119 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.847 15.638 -12.858 1.00 0.00 H new ATOM 1611 N ILE B 47 9.102 12.741 -9.966 1.00 0.00 N ATOM 1612 CA ILE B 47 9.778 12.980 -8.680 1.00 0.00 C ATOM 1613 C ILE B 47 11.204 12.385 -8.595 1.00 0.00 C ATOM 1614 O ILE B 47 11.986 12.722 -7.704 1.00 0.00 O ATOM 1615 CB ILE B 47 8.805 12.560 -7.550 1.00 0.00 C ATOM 1616 CG1 ILE B 47 7.539 13.457 -7.508 1.00 0.00 C ATOM 1617 CG2 ILE B 47 9.438 12.534 -6.159 1.00 0.00 C ATOM 1618 CD1 ILE B 47 7.768 14.942 -7.184 1.00 0.00 C ATOM 0 H ILE B 47 8.351 12.054 -9.908 1.00 0.00 H new ATOM 0 HA ILE B 47 9.993 14.042 -8.564 1.00 0.00 H new ATOM 0 HB ILE B 47 8.527 11.538 -7.805 1.00 0.00 H new ATOM 0 HG12 ILE B 47 7.040 13.391 -8.475 1.00 0.00 H new ATOM 0 HG13 ILE B 47 6.853 13.047 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE B 47 8.691 12.231 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.266 11.825 -6.149 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.809 13.528 -5.909 1.00 0.00 H new ATOM 0 HD11 ILE B 47 6.812 15.466 -7.183 1.00 0.00 H new ATOM 0 HD12 ILE B 47 8.232 15.033 -6.202 1.00 0.00 H new ATOM 0 HD13 ILE B 47 8.422 15.382 -7.937 1.00 0.00 H new ATOM 1630 N ASN B 48 11.587 11.595 -9.593 1.00 0.00 N ATOM 1631 CA ASN B 48 12.927 11.020 -9.795 1.00 0.00 C ATOM 1632 C ASN B 48 13.767 11.773 -10.857 1.00 0.00 C ATOM 1633 O ASN B 48 14.877 11.352 -11.197 1.00 0.00 O ATOM 1634 CB ASN B 48 12.751 9.523 -10.114 1.00 0.00 C ATOM 1635 CG ASN B 48 14.006 8.678 -9.939 1.00 0.00 C ATOM 1636 OD1 ASN B 48 14.913 8.982 -9.175 1.00 0.00 O ATOM 1637 ND2 ASN B 48 14.084 7.553 -10.614 1.00 0.00 N ATOM 0 H ASN B 48 10.938 11.318 -10.329 1.00 0.00 H new ATOM 0 HA ASN B 48 13.510 11.135 -8.881 1.00 0.00 H new ATOM 0 HB2 ASN B 48 11.967 9.120 -9.473 1.00 0.00 H new ATOM 0 HB3 ASN B 48 12.404 9.424 -11.143 1.00 0.00 H new ATOM 0 HD21 ASN B 48 14.894 6.944 -10.498 1.00 0.00 H new ATOM 0 HD22 ASN B 48 13.335 7.289 -11.254 1.00 0.00 H new ATOM 1644 N GLY B 49 13.243 12.892 -11.376 1.00 0.00 N ATOM 1645 CA GLY B 49 13.932 13.836 -12.274 1.00 0.00 C ATOM 1646 C GLY B 49 15.187 14.472 -11.664 1.00 0.00 C ATOM 1647 O GLY B 49 16.238 14.478 -12.344 1.00 0.00 O ATOM 1648 OXT GLY B 49 15.107 14.990 -10.527 1.00 0.00 O ATOM 0 H GLY B 49 12.285 13.179 -11.174 1.00 0.00 H new ATOM 0 HA2 GLY B 49 14.210 13.314 -13.190 1.00 0.00 H new ATOM 0 HA3 GLY B 49 13.237 14.627 -12.556 1.00 0.00 H new TER 1652 GLY B 49 HETATM 1653 ZN ZN A 50 -1.830 -0.647 -4.642 1.00 0.00 ZN HETATM 1654 ZN ZN B 150 1.314 2.270 -5.971 1.00 0.00 ZN