USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot 120:sc= 0.938 USER MOD Set 1.2: A 60 GLN : amide:sc= 1.21 K(o=2.1,f=0.88) USER MOD Set 2.1: A 54 HIS : no HE2:sc= 0.901 K(o=1.7,f=-5.1!) USER MOD Set 2.2: A 55 SER OG : rot 136:sc= 0.787 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -143:sc= -1.09 (180deg=-3.08!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -0.0608 (180deg=-0.364) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00037 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= -0.0226 (180deg=-0.238) USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= 0.218 (180deg=-0.216) USER MOD Single : A 26 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.5) USER MOD Single : A 40 CYS SG : rot 81:sc= 0.826 USER MOD Single : A 41 THR OG1 : rot 10:sc= 0.931 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0253 (180deg=-0.224) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc=-0.00751 (180deg=-0.143) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0642 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.702 17.243 -23.240 1.00 0.00 N ATOM 2 CA MET A 1 -14.384 16.803 -24.479 1.00 0.00 C ATOM 3 C MET A 1 -15.195 15.542 -24.217 1.00 0.00 C ATOM 4 O MET A 1 -14.685 14.427 -24.334 1.00 0.00 O ATOM 5 CB MET A 1 -13.360 16.541 -25.587 1.00 0.00 C ATOM 6 CG MET A 1 -13.983 16.113 -26.906 1.00 0.00 C ATOM 7 SD MET A 1 -12.756 15.814 -28.192 1.00 0.00 S ATOM 8 CE MET A 1 -13.813 15.276 -29.534 1.00 0.00 C ATOM 0 H1 MET A 1 -13.152 18.104 -23.433 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.411 17.442 -22.506 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.063 16.492 -22.910 1.00 0.00 H new ATOM 0 HA MET A 1 -15.058 17.597 -24.801 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.774 17.445 -25.749 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.668 15.768 -25.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.567 15.206 -26.750 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.676 16.884 -27.243 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.204 15.051 -30.409 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.358 14.382 -29.232 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.521 16.067 -29.779 1.00 0.00 H new ATOM 20 N VAL A 2 -16.458 15.716 -23.858 1.00 0.00 N ATOM 21 CA VAL A 2 -17.326 14.585 -23.573 1.00 0.00 C ATOM 22 C VAL A 2 -17.865 13.974 -24.863 1.00 0.00 C ATOM 23 O VAL A 2 -17.481 12.864 -25.239 1.00 0.00 O ATOM 24 CB VAL A 2 -18.494 14.986 -22.647 1.00 0.00 C ATOM 25 CG1 VAL A 2 -19.424 13.807 -22.398 1.00 0.00 C ATOM 26 CG2 VAL A 2 -17.959 15.528 -21.331 1.00 0.00 C ATOM 0 H VAL A 2 -16.903 16.628 -23.757 1.00 0.00 H new ATOM 0 HA VAL A 2 -16.725 13.838 -23.055 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.068 15.769 -23.143 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.238 14.118 -21.743 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.834 13.460 -23.347 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -18.867 12.998 -21.926 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.793 15.807 -20.687 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.361 14.762 -20.838 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.340 16.404 -21.523 1.00 0.00 H new ATOM 36 N LEU A 3 -18.736 14.700 -25.550 1.00 0.00 N ATOM 37 CA LEU A 3 -19.320 14.207 -26.790 1.00 0.00 C ATOM 38 C LEU A 3 -19.577 15.366 -27.749 1.00 0.00 C ATOM 39 O LEU A 3 -20.206 16.359 -27.386 1.00 0.00 O ATOM 40 CB LEU A 3 -20.627 13.454 -26.485 1.00 0.00 C ATOM 41 CG LEU A 3 -21.044 12.376 -27.501 1.00 0.00 C ATOM 42 CD1 LEU A 3 -22.224 11.578 -26.970 1.00 0.00 C ATOM 43 CD2 LEU A 3 -21.400 12.986 -28.847 1.00 0.00 C ATOM 0 H LEU A 3 -19.053 15.629 -25.271 1.00 0.00 H new ATOM 0 HA LEU A 3 -18.622 13.518 -27.266 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -20.531 12.983 -25.507 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -21.433 14.184 -26.410 1.00 0.00 H new ATOM 0 HG LEU A 3 -20.192 11.711 -27.644 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -22.508 10.819 -27.699 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -21.945 11.095 -26.034 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -23.067 12.247 -26.796 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -21.690 12.196 -29.540 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -22.230 13.682 -28.723 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -20.536 13.519 -29.245 1.00 0.00 H new ATOM 55 N ARG A 4 -19.062 15.248 -28.962 1.00 0.00 N ATOM 56 CA ARG A 4 -19.318 16.227 -30.010 1.00 0.00 C ATOM 57 C ARG A 4 -20.163 15.605 -31.112 1.00 0.00 C ATOM 58 O ARG A 4 -19.709 14.700 -31.815 1.00 0.00 O ATOM 59 CB ARG A 4 -18.004 16.760 -30.593 1.00 0.00 C ATOM 60 CG ARG A 4 -17.508 18.044 -29.943 1.00 0.00 C ATOM 61 CD ARG A 4 -17.321 17.890 -28.443 1.00 0.00 C ATOM 62 NE ARG A 4 -16.887 19.137 -27.818 1.00 0.00 N ATOM 63 CZ ARG A 4 -17.478 19.694 -26.759 1.00 0.00 C ATOM 64 NH1 ARG A 4 -18.537 19.120 -26.197 1.00 0.00 N ATOM 65 NH2 ARG A 4 -17.014 20.838 -26.274 1.00 0.00 N ATOM 0 H ARG A 4 -18.459 14.477 -29.248 1.00 0.00 H new ATOM 0 HA ARG A 4 -19.862 17.063 -29.571 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -17.236 15.993 -30.489 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -18.138 16.935 -31.661 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -16.562 18.338 -30.398 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -18.219 18.847 -30.139 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -18.258 17.565 -27.992 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -16.585 17.110 -28.247 1.00 0.00 H new ATOM 0 HE ARG A 4 -16.079 19.614 -28.218 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -18.904 18.247 -26.575 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -18.982 19.553 -25.388 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -16.209 21.288 -26.710 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -17.462 21.268 -25.465 1.00 0.00 H new ATOM 79 N GLN A 5 -21.396 16.072 -31.243 1.00 0.00 N ATOM 80 CA GLN A 5 -22.298 15.565 -32.266 1.00 0.00 C ATOM 81 C GLN A 5 -21.971 16.179 -33.619 1.00 0.00 C ATOM 82 O GLN A 5 -21.551 17.333 -33.706 1.00 0.00 O ATOM 83 CB GLN A 5 -23.759 15.852 -31.906 1.00 0.00 C ATOM 84 CG GLN A 5 -24.060 17.325 -31.679 1.00 0.00 C ATOM 85 CD GLN A 5 -25.540 17.605 -31.499 1.00 0.00 C ATOM 86 OE1 GLN A 5 -26.297 16.759 -31.021 1.00 0.00 O ATOM 87 NE2 GLN A 5 -25.961 18.802 -31.874 1.00 0.00 N ATOM 0 H GLN A 5 -21.795 16.802 -30.653 1.00 0.00 H new ATOM 0 HA GLN A 5 -22.161 14.485 -32.322 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.400 15.479 -32.705 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.017 15.296 -31.005 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.521 17.669 -30.797 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -23.687 17.901 -32.525 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -25.302 19.475 -32.266 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -26.945 19.052 -31.771 1.00 0.00 H new ATOM 96 N LEU A 6 -22.166 15.404 -34.670 1.00 0.00 N ATOM 97 CA LEU A 6 -21.905 15.869 -36.020 1.00 0.00 C ATOM 98 C LEU A 6 -23.212 16.228 -36.714 1.00 0.00 C ATOM 99 O LEU A 6 -23.395 15.958 -37.902 1.00 0.00 O ATOM 100 CB LEU A 6 -21.146 14.808 -36.831 1.00 0.00 C ATOM 101 CG LEU A 6 -19.671 14.590 -36.454 1.00 0.00 C ATOM 102 CD1 LEU A 6 -18.924 15.915 -36.403 1.00 0.00 C ATOM 103 CD2 LEU A 6 -19.542 13.848 -35.132 1.00 0.00 C ATOM 0 H LEU A 6 -22.506 14.444 -34.614 1.00 0.00 H new ATOM 0 HA LEU A 6 -21.280 16.760 -35.958 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -21.670 13.858 -36.727 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.193 15.084 -37.884 1.00 0.00 H new ATOM 0 HG LEU A 6 -19.219 13.971 -37.229 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.883 15.736 -36.134 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -18.969 16.396 -37.380 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -19.384 16.564 -35.658 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.487 13.710 -34.894 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -20.020 14.427 -34.342 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -20.026 12.875 -35.212 1.00 0.00 H new ATOM 115 N SER A 7 -24.115 16.850 -35.968 1.00 0.00 N ATOM 116 CA SER A 7 -25.419 17.236 -36.494 1.00 0.00 C ATOM 117 C SER A 7 -25.271 18.416 -37.454 1.00 0.00 C ATOM 118 O SER A 7 -26.118 18.643 -38.320 1.00 0.00 O ATOM 119 CB SER A 7 -26.362 17.593 -35.335 1.00 0.00 C ATOM 120 OG SER A 7 -27.668 17.898 -35.795 1.00 0.00 O ATOM 0 H SER A 7 -23.967 17.100 -34.990 1.00 0.00 H new ATOM 0 HA SER A 7 -25.846 16.398 -37.045 1.00 0.00 H new ATOM 0 HB2 SER A 7 -26.409 16.759 -34.634 1.00 0.00 H new ATOM 0 HB3 SER A 7 -25.960 18.446 -34.789 1.00 0.00 H new ATOM 0 HG SER A 7 -28.241 18.119 -35.031 1.00 0.00 H new ATOM 126 N ARG A 8 -24.175 19.147 -37.296 1.00 0.00 N ATOM 127 CA ARG A 8 -23.880 20.305 -38.133 1.00 0.00 C ATOM 128 C ARG A 8 -23.463 19.889 -39.538 1.00 0.00 C ATOM 129 O ARG A 8 -23.450 20.710 -40.457 1.00 0.00 O ATOM 130 CB ARG A 8 -22.777 21.144 -37.492 1.00 0.00 C ATOM 131 CG ARG A 8 -21.515 20.356 -37.175 1.00 0.00 C ATOM 132 CD ARG A 8 -20.497 21.206 -36.434 1.00 0.00 C ATOM 133 NE ARG A 8 -21.047 21.775 -35.204 1.00 0.00 N ATOM 134 CZ ARG A 8 -20.425 21.761 -34.025 1.00 0.00 C ATOM 135 NH1 ARG A 8 -19.237 21.182 -33.898 1.00 0.00 N ATOM 136 NH2 ARG A 8 -20.994 22.329 -32.970 1.00 0.00 N ATOM 0 H ARG A 8 -23.467 18.956 -36.587 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.791 20.898 -38.215 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.523 21.966 -38.161 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -23.158 21.588 -36.572 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -21.771 19.485 -36.572 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -21.075 19.984 -38.100 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.624 20.599 -36.193 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.155 22.011 -37.084 1.00 0.00 H new ATOM 0 HE ARG A 8 -21.968 22.212 -35.251 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.794 20.744 -34.706 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.767 21.175 -32.993 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.906 22.776 -33.061 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.519 22.319 -32.067 1.00 0.00 H new ATOM 150 N LYS A 9 -23.122 18.615 -39.700 1.00 0.00 N ATOM 151 CA LYS A 9 -22.719 18.080 -41.000 1.00 0.00 C ATOM 152 C LYS A 9 -23.922 17.947 -41.931 1.00 0.00 C ATOM 153 O LYS A 9 -24.336 16.844 -42.285 1.00 0.00 O ATOM 154 CB LYS A 9 -22.019 16.727 -40.839 1.00 0.00 C ATOM 155 CG LYS A 9 -20.642 16.826 -40.199 1.00 0.00 C ATOM 156 CD LYS A 9 -19.931 15.476 -40.134 1.00 0.00 C ATOM 157 CE LYS A 9 -19.318 15.065 -41.470 1.00 0.00 C ATOM 158 NZ LYS A 9 -20.333 14.618 -42.461 1.00 0.00 N ATOM 0 H LYS A 9 -23.116 17.929 -38.945 1.00 0.00 H new ATOM 0 HA LYS A 9 -22.015 18.782 -41.446 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.646 16.073 -40.233 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -21.922 16.258 -41.818 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -20.031 17.528 -40.766 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -20.741 17.230 -39.192 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.147 15.520 -39.378 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -20.640 14.712 -39.815 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.761 15.906 -41.882 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.602 14.260 -41.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.948 13.830 -43.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -21.190 14.303 -41.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -20.572 15.408 -43.094 1.00 0.00 H new ATOM 172 N ALA A 10 -24.462 19.090 -42.316 1.00 0.00 N ATOM 173 CA ALA A 10 -25.624 19.169 -43.189 1.00 0.00 C ATOM 174 C ALA A 10 -25.815 20.609 -43.640 1.00 0.00 C ATOM 175 O ALA A 10 -26.243 20.876 -44.763 1.00 0.00 O ATOM 176 CB ALA A 10 -26.874 18.667 -42.477 1.00 0.00 C ATOM 0 H ALA A 10 -24.103 20.001 -42.029 1.00 0.00 H new ATOM 0 HA ALA A 10 -25.457 18.534 -44.059 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.729 18.736 -43.150 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -26.730 17.629 -42.178 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -27.059 19.277 -41.592 1.00 0.00 H new ATOM 182 N SER A 11 -25.494 21.537 -42.746 1.00 0.00 N ATOM 183 CA SER A 11 -25.566 22.956 -43.044 1.00 0.00 C ATOM 184 C SER A 11 -24.492 23.703 -42.259 1.00 0.00 C ATOM 185 O SER A 11 -24.760 24.726 -41.625 1.00 0.00 O ATOM 186 CB SER A 11 -26.952 23.496 -42.691 1.00 0.00 C ATOM 187 OG SER A 11 -27.971 22.748 -43.338 1.00 0.00 O ATOM 0 H SER A 11 -25.178 21.325 -41.800 1.00 0.00 H new ATOM 0 HA SER A 11 -25.394 23.107 -44.110 1.00 0.00 H new ATOM 0 HB2 SER A 11 -27.097 23.457 -41.611 1.00 0.00 H new ATOM 0 HB3 SER A 11 -27.023 24.543 -42.984 1.00 0.00 H new ATOM 0 HG SER A 11 -28.848 23.112 -43.095 1.00 0.00 H new ATOM 193 N VAL A 12 -23.275 23.178 -42.301 1.00 0.00 N ATOM 194 CA VAL A 12 -22.176 23.743 -41.534 1.00 0.00 C ATOM 195 C VAL A 12 -21.670 25.033 -42.176 1.00 0.00 C ATOM 196 O VAL A 12 -21.591 25.150 -43.402 1.00 0.00 O ATOM 197 CB VAL A 12 -21.018 22.730 -41.373 1.00 0.00 C ATOM 198 CG1 VAL A 12 -20.395 22.389 -42.715 1.00 0.00 C ATOM 199 CG2 VAL A 12 -19.967 23.244 -40.403 1.00 0.00 C ATOM 0 H VAL A 12 -23.025 22.361 -42.859 1.00 0.00 H new ATOM 0 HA VAL A 12 -22.558 23.977 -40.540 1.00 0.00 H new ATOM 0 HB VAL A 12 -21.439 21.815 -40.957 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.584 21.675 -42.569 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -21.151 21.951 -43.366 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -20.002 23.296 -43.174 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -19.167 22.510 -40.311 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -19.557 24.183 -40.775 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -20.422 23.408 -39.426 1.00 0.00 H new ATOM 209 N LYS A 13 -21.356 26.007 -41.340 1.00 0.00 N ATOM 210 CA LYS A 13 -20.889 27.303 -41.811 1.00 0.00 C ATOM 211 C LYS A 13 -19.478 27.584 -41.318 1.00 0.00 C ATOM 212 O LYS A 13 -18.842 28.553 -41.732 1.00 0.00 O ATOM 213 CB LYS A 13 -21.845 28.405 -41.350 1.00 0.00 C ATOM 214 CG LYS A 13 -22.001 28.483 -39.842 1.00 0.00 C ATOM 215 CD LYS A 13 -23.118 29.428 -39.450 1.00 0.00 C ATOM 216 CE LYS A 13 -23.293 29.486 -37.944 1.00 0.00 C ATOM 217 NZ LYS A 13 -24.515 30.235 -37.559 1.00 0.00 N ATOM 0 H LYS A 13 -21.416 25.926 -40.325 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.869 27.286 -42.901 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.485 29.365 -41.720 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -22.824 28.237 -41.800 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.207 27.489 -39.444 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -21.065 28.818 -39.395 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.902 30.426 -39.831 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.050 29.104 -39.914 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.347 28.473 -37.545 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.420 29.959 -37.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.599 30.252 -36.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.453 31.209 -37.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.351 29.769 -37.967 1.00 0.00 H new ATOM 231 N VAL A 14 -18.990 26.732 -40.431 1.00 0.00 N ATOM 232 CA VAL A 14 -17.647 26.870 -39.907 1.00 0.00 C ATOM 233 C VAL A 14 -16.705 25.918 -40.630 1.00 0.00 C ATOM 234 O VAL A 14 -17.107 24.837 -41.065 1.00 0.00 O ATOM 235 CB VAL A 14 -17.593 26.612 -38.385 1.00 0.00 C ATOM 236 CG1 VAL A 14 -18.406 27.655 -37.636 1.00 0.00 C ATOM 237 CG2 VAL A 14 -18.084 25.213 -38.047 1.00 0.00 C ATOM 0 H VAL A 14 -19.508 25.936 -40.060 1.00 0.00 H new ATOM 0 HA VAL A 14 -17.330 27.899 -40.079 1.00 0.00 H new ATOM 0 HB VAL A 14 -16.552 26.690 -38.070 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.355 27.456 -36.566 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.002 28.647 -37.840 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.444 27.612 -37.964 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -18.034 25.061 -36.969 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -19.115 25.098 -38.383 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.455 24.476 -38.547 1.00 0.00 H new ATOM 247 N SER A 15 -15.467 26.332 -40.782 1.00 0.00 N ATOM 248 CA SER A 15 -14.477 25.526 -41.473 1.00 0.00 C ATOM 249 C SER A 15 -13.476 24.936 -40.485 1.00 0.00 C ATOM 250 O SER A 15 -12.623 25.642 -39.951 1.00 0.00 O ATOM 251 CB SER A 15 -13.767 26.372 -42.528 1.00 0.00 C ATOM 252 OG SER A 15 -14.704 26.925 -43.441 1.00 0.00 O ATOM 0 H SER A 15 -15.118 27.226 -40.436 1.00 0.00 H new ATOM 0 HA SER A 15 -14.981 24.697 -41.970 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.208 27.172 -42.044 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.044 25.759 -43.067 1.00 0.00 H new ATOM 0 HG SER A 15 -14.231 27.465 -44.108 1.00 0.00 H new ATOM 258 N LYS A 16 -13.604 23.641 -40.234 1.00 0.00 N ATOM 259 CA LYS A 16 -12.719 22.941 -39.318 1.00 0.00 C ATOM 260 C LYS A 16 -11.977 21.835 -40.046 1.00 0.00 C ATOM 261 O LYS A 16 -12.492 21.243 -40.997 1.00 0.00 O ATOM 262 CB LYS A 16 -13.499 22.341 -38.144 1.00 0.00 C ATOM 263 CG LYS A 16 -13.588 23.248 -36.926 1.00 0.00 C ATOM 264 CD LYS A 16 -14.478 24.453 -37.171 1.00 0.00 C ATOM 265 CE LYS A 16 -14.466 25.397 -35.981 1.00 0.00 C ATOM 266 NZ LYS A 16 -14.755 24.688 -34.707 1.00 0.00 N ATOM 0 H LYS A 16 -14.320 23.050 -40.657 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.005 23.666 -38.928 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.508 22.100 -38.478 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.028 21.403 -37.851 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.974 22.680 -36.080 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.588 23.586 -36.654 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.140 24.983 -38.062 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.498 24.121 -37.365 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.493 25.883 -35.913 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.205 26.184 -36.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.988 25.382 -33.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.560 24.044 -34.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.919 24.141 -34.417 1.00 0.00 H new ATOM 280 N THR A 17 -10.764 21.576 -39.604 1.00 0.00 N ATOM 281 CA THR A 17 -9.966 20.502 -40.138 1.00 0.00 C ATOM 282 C THR A 17 -10.123 19.262 -39.273 1.00 0.00 C ATOM 283 O THR A 17 -11.017 19.191 -38.429 1.00 0.00 O ATOM 284 CB THR A 17 -8.485 20.901 -40.182 1.00 0.00 C ATOM 285 OG1 THR A 17 -8.057 21.322 -38.881 1.00 0.00 O ATOM 286 CG2 THR A 17 -8.249 22.013 -41.189 1.00 0.00 C ATOM 0 H THR A 17 -10.307 22.107 -38.863 1.00 0.00 H new ATOM 0 HA THR A 17 -10.308 20.291 -41.151 1.00 0.00 H new ATOM 0 HB THR A 17 -7.905 20.032 -40.492 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.111 21.574 -38.914 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.191 22.276 -41.199 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.549 21.675 -42.181 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.837 22.887 -40.910 1.00 0.00 H new ATOM 294 N TRP A 18 -9.245 18.291 -39.464 1.00 0.00 N ATOM 295 CA TRP A 18 -9.257 17.093 -38.643 1.00 0.00 C ATOM 296 C TRP A 18 -8.418 17.287 -37.382 1.00 0.00 C ATOM 297 O TRP A 18 -7.912 16.321 -36.809 1.00 0.00 O ATOM 298 CB TRP A 18 -8.766 15.885 -39.443 1.00 0.00 C ATOM 299 CG TRP A 18 -9.825 15.266 -40.304 1.00 0.00 C ATOM 300 CD1 TRP A 18 -10.397 14.037 -40.137 1.00 0.00 C ATOM 301 CD2 TRP A 18 -10.446 15.842 -41.460 1.00 0.00 C ATOM 302 NE1 TRP A 18 -11.330 13.813 -41.119 1.00 0.00 N ATOM 303 CE2 TRP A 18 -11.379 14.905 -41.943 1.00 0.00 C ATOM 304 CE3 TRP A 18 -10.302 17.056 -42.134 1.00 0.00 C ATOM 305 CZ2 TRP A 18 -12.165 15.148 -43.066 1.00 0.00 C ATOM 306 CZ3 TRP A 18 -11.084 17.296 -43.248 1.00 0.00 C ATOM 307 CH2 TRP A 18 -12.005 16.345 -43.705 1.00 0.00 C ATOM 0 H TRP A 18 -8.517 18.309 -40.178 1.00 0.00 H new ATOM 0 HA TRP A 18 -10.285 16.903 -38.336 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -7.931 16.192 -40.073 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.385 15.133 -38.752 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.151 13.342 -39.347 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -11.895 12.970 -41.218 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.592 17.794 -41.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -12.876 14.416 -43.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.983 18.233 -43.775 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.600 16.562 -44.580 1.00 0.00 H new ATOM 318 N SER A 19 -8.272 18.554 -36.976 1.00 0.00 N ATOM 319 CA SER A 19 -7.606 18.927 -35.727 1.00 0.00 C ATOM 320 C SER A 19 -6.090 18.738 -35.814 1.00 0.00 C ATOM 321 O SER A 19 -5.343 19.710 -35.894 1.00 0.00 O ATOM 322 CB SER A 19 -8.188 18.140 -34.543 1.00 0.00 C ATOM 323 OG SER A 19 -7.640 18.570 -33.309 1.00 0.00 O ATOM 0 H SER A 19 -8.616 19.352 -37.510 1.00 0.00 H new ATOM 0 HA SER A 19 -7.793 19.988 -35.561 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.271 18.261 -34.522 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.989 17.077 -34.679 1.00 0.00 H new ATOM 0 HG SER A 19 -8.033 18.050 -32.577 1.00 0.00 H new ATOM 329 N GLY A 20 -5.640 17.489 -35.810 1.00 0.00 N ATOM 330 CA GLY A 20 -4.216 17.216 -35.826 1.00 0.00 C ATOM 331 C GLY A 20 -3.766 16.582 -37.118 1.00 0.00 C ATOM 332 O GLY A 20 -2.755 15.873 -37.152 1.00 0.00 O ATOM 0 H GLY A 20 -6.236 16.661 -35.796 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.669 18.146 -35.671 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.966 16.557 -34.995 1.00 0.00 H new ATOM 336 N THR A 21 -4.497 16.861 -38.186 1.00 0.00 N ATOM 337 CA THR A 21 -4.202 16.286 -39.487 1.00 0.00 C ATOM 338 C THR A 21 -2.986 16.961 -40.113 1.00 0.00 C ATOM 339 O THR A 21 -2.390 16.448 -41.062 1.00 0.00 O ATOM 340 CB THR A 21 -5.427 16.369 -40.427 1.00 0.00 C ATOM 341 OG1 THR A 21 -5.109 15.872 -41.732 1.00 0.00 O ATOM 342 CG2 THR A 21 -5.956 17.793 -40.530 1.00 0.00 C ATOM 0 H THR A 21 -5.303 17.486 -38.176 1.00 0.00 H new ATOM 0 HA THR A 21 -3.968 15.231 -39.342 1.00 0.00 H new ATOM 0 HB THR A 21 -6.207 15.744 -39.993 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.900 15.934 -42.307 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.817 17.814 -41.199 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.256 18.142 -39.542 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.175 18.444 -40.923 1.00 0.00 H new ATOM 350 N LYS A 22 -2.587 18.092 -39.539 1.00 0.00 N ATOM 351 CA LYS A 22 -1.352 18.758 -39.927 1.00 0.00 C ATOM 352 C LYS A 22 -0.157 18.043 -39.286 1.00 0.00 C ATOM 353 O LYS A 22 0.875 18.651 -38.999 1.00 0.00 O ATOM 354 CB LYS A 22 -1.392 20.230 -39.500 1.00 0.00 C ATOM 355 CG LYS A 22 -0.311 21.088 -40.136 1.00 0.00 C ATOM 356 CD LYS A 22 -0.372 22.526 -39.650 1.00 0.00 C ATOM 357 CE LYS A 22 -0.080 22.637 -38.162 1.00 0.00 C ATOM 358 NZ LYS A 22 1.284 22.155 -37.825 1.00 0.00 N ATOM 0 H LYS A 22 -3.105 18.567 -38.800 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.245 18.717 -41.011 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.367 20.645 -39.754 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.295 20.286 -38.416 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.668 20.668 -39.906 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.421 21.066 -41.220 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.347 23.128 -40.206 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.360 22.937 -39.857 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.185 23.676 -37.848 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.817 22.059 -37.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.526 22.446 -36.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.312 21.118 -37.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.971 22.563 -38.491 1.00 0.00 H new ATOM 372 N LYS A 23 -0.337 16.744 -39.033 1.00 0.00 N ATOM 373 CA LYS A 23 0.712 15.876 -38.506 1.00 0.00 C ATOM 374 C LYS A 23 1.108 16.292 -37.095 1.00 0.00 C ATOM 375 O LYS A 23 2.241 16.084 -36.670 1.00 0.00 O ATOM 376 CB LYS A 23 1.936 15.876 -39.430 1.00 0.00 C ATOM 377 CG LYS A 23 1.609 15.553 -40.882 1.00 0.00 C ATOM 378 CD LYS A 23 0.979 14.178 -41.029 1.00 0.00 C ATOM 379 CE LYS A 23 0.573 13.902 -42.468 1.00 0.00 C ATOM 380 NZ LYS A 23 -0.505 14.816 -42.931 1.00 0.00 N ATOM 0 H LYS A 23 -1.223 16.264 -39.190 1.00 0.00 H new ATOM 0 HA LYS A 23 0.315 14.862 -38.462 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.415 16.854 -39.384 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.659 15.149 -39.060 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.929 16.308 -41.278 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.520 15.600 -41.478 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.684 13.416 -40.696 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.104 14.107 -40.383 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.442 14.010 -43.116 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.235 12.869 -42.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.195 14.281 -43.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.982 15.235 -42.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.092 15.572 -43.514 1.00 0.00 H new ATOM 394 N ARG A 24 0.165 16.873 -36.369 1.00 0.00 N ATOM 395 CA ARG A 24 0.429 17.310 -35.010 1.00 0.00 C ATOM 396 C ARG A 24 0.135 16.184 -34.028 1.00 0.00 C ATOM 397 O ARG A 24 1.051 15.599 -33.452 1.00 0.00 O ATOM 398 CB ARG A 24 -0.402 18.552 -34.671 1.00 0.00 C ATOM 399 CG ARG A 24 -0.156 19.088 -33.269 1.00 0.00 C ATOM 400 CD ARG A 24 1.285 19.533 -33.078 1.00 0.00 C ATOM 401 NE ARG A 24 1.562 19.886 -31.685 1.00 0.00 N ATOM 402 CZ ARG A 24 2.720 20.385 -31.250 1.00 0.00 C ATOM 403 NH1 ARG A 24 3.697 20.649 -32.108 1.00 0.00 N ATOM 404 NH2 ARG A 24 2.894 20.632 -29.957 1.00 0.00 N ATOM 0 H ARG A 24 -0.784 17.051 -36.697 1.00 0.00 H new ATOM 0 HA ARG A 24 1.483 17.574 -34.930 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.179 19.336 -35.395 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.460 18.311 -34.778 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.824 19.928 -33.079 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.398 18.317 -32.538 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.957 18.734 -33.392 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.489 20.391 -33.718 1.00 0.00 H new ATOM 0 HE ARG A 24 0.820 19.741 -31.001 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.564 20.470 -33.103 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.581 21.031 -31.772 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.142 20.440 -29.295 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.780 21.014 -29.625 1.00 0.00 H new ATOM 418 N ALA A 25 -1.139 15.872 -33.846 1.00 0.00 N ATOM 419 CA ALA A 25 -1.526 14.781 -32.968 1.00 0.00 C ATOM 420 C ALA A 25 -1.335 13.440 -33.662 1.00 0.00 C ATOM 421 O ALA A 25 -1.008 12.441 -33.023 1.00 0.00 O ATOM 422 CB ALA A 25 -2.970 14.944 -32.518 1.00 0.00 C ATOM 0 H ALA A 25 -1.918 16.356 -34.292 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.884 14.808 -32.087 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.242 14.118 -31.861 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.079 15.886 -31.980 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.625 14.945 -33.389 1.00 0.00 H new ATOM 428 N GLN A 26 -1.509 13.433 -34.981 1.00 0.00 N ATOM 429 CA GLN A 26 -1.465 12.198 -35.755 1.00 0.00 C ATOM 430 C GLN A 26 -0.074 11.576 -35.798 1.00 0.00 C ATOM 431 O GLN A 26 0.051 10.364 -35.958 1.00 0.00 O ATOM 432 CB GLN A 26 -1.981 12.423 -37.174 1.00 0.00 C ATOM 433 CG GLN A 26 -3.493 12.535 -37.249 1.00 0.00 C ATOM 434 CD GLN A 26 -4.002 12.610 -38.672 1.00 0.00 C ATOM 435 OE1 GLN A 26 -3.384 12.083 -39.597 1.00 0.00 O ATOM 436 NE2 GLN A 26 -5.140 13.256 -38.856 1.00 0.00 N ATOM 0 H GLN A 26 -1.682 14.271 -35.536 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.119 11.493 -35.242 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.535 13.333 -37.576 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.652 11.600 -37.808 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.942 11.676 -36.751 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.815 13.423 -36.705 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.621 13.679 -38.062 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.538 13.332 -39.792 1.00 0.00 H new ATOM 445 N ARG A 27 0.973 12.379 -35.639 1.00 0.00 N ATOM 446 CA ARG A 27 2.329 11.832 -35.658 1.00 0.00 C ATOM 447 C ARG A 27 2.559 10.958 -34.427 1.00 0.00 C ATOM 448 O ARG A 27 3.488 10.154 -34.382 1.00 0.00 O ATOM 449 CB ARG A 27 3.384 12.939 -35.749 1.00 0.00 C ATOM 450 CG ARG A 27 3.454 13.848 -34.534 1.00 0.00 C ATOM 451 CD ARG A 27 4.504 14.929 -34.726 1.00 0.00 C ATOM 452 NE ARG A 27 4.588 15.826 -33.575 1.00 0.00 N ATOM 453 CZ ARG A 27 5.055 17.071 -33.640 1.00 0.00 C ATOM 454 NH1 ARG A 27 5.463 17.573 -34.798 1.00 0.00 N ATOM 455 NH2 ARG A 27 5.115 17.814 -32.542 1.00 0.00 N ATOM 0 H ARG A 27 0.915 13.388 -35.499 1.00 0.00 H new ATOM 0 HA ARG A 27 2.432 11.216 -36.551 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.361 12.480 -35.900 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.178 13.547 -36.630 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.481 14.307 -34.362 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.690 13.259 -33.647 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.475 14.464 -34.894 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.269 15.508 -35.619 1.00 0.00 H new ATOM 0 HE ARG A 27 4.271 15.478 -32.670 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.420 17.005 -35.644 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.820 18.527 -34.843 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.804 17.431 -31.649 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.473 18.768 -32.591 1.00 0.00 H new ATOM 469 N ILE A 28 1.694 11.126 -33.433 1.00 0.00 N ATOM 470 CA ILE A 28 1.701 10.278 -32.254 1.00 0.00 C ATOM 471 C ILE A 28 0.560 9.267 -32.336 1.00 0.00 C ATOM 472 O ILE A 28 0.758 8.074 -32.129 1.00 0.00 O ATOM 473 CB ILE A 28 1.545 11.105 -30.957 1.00 0.00 C ATOM 474 CG1 ILE A 28 2.663 12.145 -30.836 1.00 0.00 C ATOM 475 CG2 ILE A 28 1.528 10.192 -29.738 1.00 0.00 C ATOM 476 CD1 ILE A 28 4.049 11.543 -30.771 1.00 0.00 C ATOM 0 H ILE A 28 0.975 11.849 -33.424 1.00 0.00 H new ATOM 0 HA ILE A 28 2.662 9.764 -32.224 1.00 0.00 H new ATOM 0 HB ILE A 28 0.593 11.634 -31.004 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.610 12.823 -31.688 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.494 12.744 -29.941 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.418 10.793 -28.835 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.692 9.497 -29.816 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.462 9.632 -29.689 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.788 12.340 -30.686 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.121 10.888 -29.903 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.238 10.967 -31.677 1.00 0.00 H new ATOM 488 N LEU A 29 -0.630 9.765 -32.664 1.00 0.00 N ATOM 489 CA LEU A 29 -1.834 8.953 -32.743 1.00 0.00 C ATOM 490 C LEU A 29 -1.637 7.746 -33.655 1.00 0.00 C ATOM 491 O LEU A 29 -1.936 6.613 -33.273 1.00 0.00 O ATOM 492 CB LEU A 29 -2.979 9.814 -33.271 1.00 0.00 C ATOM 493 CG LEU A 29 -4.381 9.305 -32.962 1.00 0.00 C ATOM 494 CD1 LEU A 29 -4.623 9.321 -31.463 1.00 0.00 C ATOM 495 CD2 LEU A 29 -5.413 10.155 -33.681 1.00 0.00 C ATOM 0 H LEU A 29 -0.783 10.749 -32.883 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.066 8.581 -31.745 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.876 10.817 -32.857 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.874 9.903 -34.352 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.473 8.278 -33.315 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.628 8.955 -31.253 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.893 8.679 -30.970 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.522 10.340 -31.089 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.412 9.784 -33.454 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.327 11.190 -33.350 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.242 10.103 -34.756 1.00 0.00 H new ATOM 507 N ILE A 30 -1.120 7.996 -34.852 1.00 0.00 N ATOM 508 CA ILE A 30 -0.910 6.937 -35.831 1.00 0.00 C ATOM 509 C ILE A 30 0.214 6.010 -35.381 1.00 0.00 C ATOM 510 O ILE A 30 0.115 4.792 -35.512 1.00 0.00 O ATOM 511 CB ILE A 30 -0.584 7.510 -37.230 1.00 0.00 C ATOM 512 CG1 ILE A 30 -1.684 8.480 -37.689 1.00 0.00 C ATOM 513 CG2 ILE A 30 -0.407 6.389 -38.246 1.00 0.00 C ATOM 514 CD1 ILE A 30 -3.063 7.859 -37.780 1.00 0.00 C ATOM 0 H ILE A 30 -0.838 8.924 -35.168 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.839 6.372 -35.903 1.00 0.00 H new ATOM 0 HB ILE A 30 0.354 8.060 -37.159 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.722 9.322 -36.997 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.414 8.882 -38.666 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.178 6.816 -39.223 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.411 5.740 -37.933 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.327 5.808 -38.310 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.780 8.611 -38.111 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.045 7.036 -38.494 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.358 7.483 -36.800 1.00 0.00 H new ATOM 526 N PHE A 31 1.267 6.597 -34.822 1.00 0.00 N ATOM 527 CA PHE A 31 2.409 5.830 -34.334 1.00 0.00 C ATOM 528 C PHE A 31 1.972 4.875 -33.231 1.00 0.00 C ATOM 529 O PHE A 31 2.356 3.708 -33.212 1.00 0.00 O ATOM 530 CB PHE A 31 3.498 6.773 -33.808 1.00 0.00 C ATOM 531 CG PHE A 31 4.760 6.070 -33.387 1.00 0.00 C ATOM 532 CD1 PHE A 31 5.753 5.791 -34.308 1.00 0.00 C ATOM 533 CD2 PHE A 31 4.951 5.689 -32.068 1.00 0.00 C ATOM 534 CE1 PHE A 31 6.913 5.147 -33.924 1.00 0.00 C ATOM 535 CE2 PHE A 31 6.109 5.044 -31.678 1.00 0.00 C ATOM 536 CZ PHE A 31 7.090 4.772 -32.608 1.00 0.00 C ATOM 0 H PHE A 31 1.354 7.605 -34.695 1.00 0.00 H new ATOM 0 HA PHE A 31 2.815 5.250 -35.163 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.740 7.501 -34.582 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.103 7.330 -32.959 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.620 6.080 -35.340 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.185 5.899 -31.336 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.681 4.937 -34.654 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.245 4.753 -30.647 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.995 4.266 -32.307 1.00 0.00 H new ATOM 546 N LEU A 32 1.157 5.383 -32.321 1.00 0.00 N ATOM 547 CA LEU A 32 0.677 4.599 -31.198 1.00 0.00 C ATOM 548 C LEU A 32 -0.267 3.491 -31.647 1.00 0.00 C ATOM 549 O LEU A 32 -0.183 2.373 -31.150 1.00 0.00 O ATOM 550 CB LEU A 32 -0.011 5.503 -30.169 1.00 0.00 C ATOM 551 CG LEU A 32 0.860 5.922 -28.980 1.00 0.00 C ATOM 552 CD1 LEU A 32 2.148 6.579 -29.453 1.00 0.00 C ATOM 553 CD2 LEU A 32 0.088 6.861 -28.068 1.00 0.00 C ATOM 0 H LEU A 32 0.813 6.343 -32.340 1.00 0.00 H new ATOM 0 HA LEU A 32 1.542 4.127 -30.732 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.362 6.402 -30.676 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.893 4.987 -29.789 1.00 0.00 H new ATOM 0 HG LEU A 32 1.125 5.026 -28.418 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.748 6.867 -28.590 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.710 5.876 -30.068 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.910 7.465 -30.041 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.718 7.151 -27.227 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.205 7.750 -28.626 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.803 6.356 -27.696 1.00 0.00 H new ATOM 565 N LEU A 33 -1.148 3.783 -32.599 1.00 0.00 N ATOM 566 CA LEU A 33 -2.141 2.799 -33.009 1.00 0.00 C ATOM 567 C LEU A 33 -1.481 1.608 -33.694 1.00 0.00 C ATOM 568 O LEU A 33 -1.836 0.463 -33.423 1.00 0.00 O ATOM 569 CB LEU A 33 -3.241 3.430 -33.888 1.00 0.00 C ATOM 570 CG LEU A 33 -2.866 3.847 -35.319 1.00 0.00 C ATOM 571 CD1 LEU A 33 -2.984 2.676 -36.288 1.00 0.00 C ATOM 572 CD2 LEU A 33 -3.759 4.990 -35.775 1.00 0.00 C ATOM 0 H LEU A 33 -1.195 4.675 -33.092 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.631 2.429 -32.109 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.066 2.721 -33.952 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.618 4.312 -33.370 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.827 4.176 -35.314 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.712 3.005 -37.291 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.314 1.875 -35.974 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.011 2.309 -36.292 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.488 5.281 -36.790 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.800 4.668 -35.755 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.630 5.841 -35.107 1.00 0.00 H new ATOM 584 N GLU A 34 -0.504 1.876 -34.555 1.00 0.00 N ATOM 585 CA GLU A 34 0.191 0.810 -35.261 1.00 0.00 C ATOM 586 C GLU A 34 1.105 0.040 -34.313 1.00 0.00 C ATOM 587 O GLU A 34 1.235 -1.182 -34.412 1.00 0.00 O ATOM 588 CB GLU A 34 0.994 1.367 -36.440 1.00 0.00 C ATOM 589 CG GLU A 34 2.065 2.373 -36.054 1.00 0.00 C ATOM 590 CD GLU A 34 2.958 2.737 -37.219 1.00 0.00 C ATOM 591 OE1 GLU A 34 3.877 1.952 -37.536 1.00 0.00 O ATOM 592 OE2 GLU A 34 2.749 3.808 -37.828 1.00 0.00 O ATOM 0 H GLU A 34 -0.179 2.817 -34.778 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.559 0.123 -35.652 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.466 0.537 -36.966 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.306 1.839 -37.141 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.591 3.275 -35.667 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.673 1.962 -35.248 1.00 0.00 H new ATOM 599 N PHE A 35 1.719 0.762 -33.384 1.00 0.00 N ATOM 600 CA PHE A 35 2.604 0.156 -32.403 1.00 0.00 C ATOM 601 C PHE A 35 1.822 -0.782 -31.492 1.00 0.00 C ATOM 602 O PHE A 35 2.250 -1.903 -31.230 1.00 0.00 O ATOM 603 CB PHE A 35 3.308 1.238 -31.576 1.00 0.00 C ATOM 604 CG PHE A 35 4.277 0.693 -30.564 1.00 0.00 C ATOM 605 CD1 PHE A 35 5.485 0.150 -30.970 1.00 0.00 C ATOM 606 CD2 PHE A 35 3.981 0.724 -29.211 1.00 0.00 C ATOM 607 CE1 PHE A 35 6.379 -0.355 -30.046 1.00 0.00 C ATOM 608 CE2 PHE A 35 4.872 0.220 -28.283 1.00 0.00 C ATOM 609 CZ PHE A 35 6.071 -0.320 -28.701 1.00 0.00 C ATOM 0 H PHE A 35 1.618 1.773 -33.291 1.00 0.00 H new ATOM 0 HA PHE A 35 3.361 -0.423 -32.931 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.840 1.909 -32.250 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.556 1.835 -31.060 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.731 0.121 -32.021 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.044 1.146 -28.878 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.317 -0.776 -30.375 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.630 0.249 -27.231 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.768 -0.715 -27.976 1.00 0.00 H new ATOM 619 N LEU A 36 0.666 -0.318 -31.029 1.00 0.00 N ATOM 620 CA LEU A 36 -0.196 -1.120 -30.168 1.00 0.00 C ATOM 621 C LEU A 36 -0.683 -2.374 -30.887 1.00 0.00 C ATOM 622 O LEU A 36 -0.773 -3.443 -30.283 1.00 0.00 O ATOM 623 CB LEU A 36 -1.393 -0.297 -29.681 1.00 0.00 C ATOM 624 CG LEU A 36 -1.230 0.360 -28.305 1.00 0.00 C ATOM 625 CD1 LEU A 36 -0.011 1.271 -28.267 1.00 0.00 C ATOM 626 CD2 LEU A 36 -2.487 1.137 -27.940 1.00 0.00 C ATOM 0 H LEU A 36 0.303 0.613 -31.236 1.00 0.00 H new ATOM 0 HA LEU A 36 0.395 -1.427 -29.305 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.597 0.483 -30.414 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.269 -0.945 -29.653 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.077 -0.430 -27.570 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.076 1.721 -27.278 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.885 0.689 -28.481 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.120 2.056 -29.015 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.358 1.598 -26.961 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.665 1.912 -28.686 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.339 0.458 -27.912 1.00 0.00 H new ATOM 638 N LEU A 37 -0.985 -2.241 -32.175 1.00 0.00 N ATOM 639 CA LEU A 37 -1.441 -3.379 -32.971 1.00 0.00 C ATOM 640 C LEU A 37 -0.358 -4.450 -33.041 1.00 0.00 C ATOM 641 O LEU A 37 -0.618 -5.632 -32.809 1.00 0.00 O ATOM 642 CB LEU A 37 -1.818 -2.937 -34.389 1.00 0.00 C ATOM 643 CG LEU A 37 -3.036 -2.015 -34.495 1.00 0.00 C ATOM 644 CD1 LEU A 37 -3.246 -1.577 -35.935 1.00 0.00 C ATOM 645 CD2 LEU A 37 -4.285 -2.704 -33.964 1.00 0.00 C ATOM 0 H LEU A 37 -0.923 -1.362 -32.689 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.324 -3.794 -32.485 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.961 -2.429 -34.831 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.006 -3.827 -34.989 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.848 -1.132 -33.885 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.116 -0.922 -35.993 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.364 -1.041 -36.284 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.409 -2.454 -36.562 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.137 -2.029 -34.050 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.477 -3.607 -34.544 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.137 -2.970 -32.917 1.00 0.00 H new ATOM 657 N ASP A 38 0.858 -4.022 -33.348 1.00 0.00 N ATOM 658 CA ASP A 38 1.990 -4.932 -33.473 1.00 0.00 C ATOM 659 C ASP A 38 2.374 -5.515 -32.124 1.00 0.00 C ATOM 660 O ASP A 38 2.607 -6.716 -31.994 1.00 0.00 O ATOM 661 CB ASP A 38 3.189 -4.195 -34.056 1.00 0.00 C ATOM 662 CG ASP A 38 4.380 -5.105 -34.261 1.00 0.00 C ATOM 663 OD1 ASP A 38 4.344 -5.946 -35.183 1.00 0.00 O ATOM 664 OD2 ASP A 38 5.365 -4.981 -33.505 1.00 0.00 O ATOM 0 H ASP A 38 1.088 -3.043 -33.516 1.00 0.00 H new ATOM 0 HA ASP A 38 1.694 -5.745 -34.136 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.909 -3.747 -35.009 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.469 -3.378 -33.391 1.00 0.00 H new ATOM 669 N PHE A 39 2.446 -4.642 -31.132 1.00 0.00 N ATOM 670 CA PHE A 39 2.815 -5.027 -29.770 1.00 0.00 C ATOM 671 C PHE A 39 1.913 -6.143 -29.245 1.00 0.00 C ATOM 672 O PHE A 39 2.390 -7.104 -28.642 1.00 0.00 O ATOM 673 CB PHE A 39 2.737 -3.809 -28.840 1.00 0.00 C ATOM 674 CG PHE A 39 3.143 -4.096 -27.421 1.00 0.00 C ATOM 675 CD1 PHE A 39 2.187 -4.368 -26.453 1.00 0.00 C ATOM 676 CD2 PHE A 39 4.479 -4.091 -27.055 1.00 0.00 C ATOM 677 CE1 PHE A 39 2.558 -4.633 -25.149 1.00 0.00 C ATOM 678 CE2 PHE A 39 4.855 -4.353 -25.751 1.00 0.00 C ATOM 679 CZ PHE A 39 3.893 -4.625 -24.797 1.00 0.00 C ATOM 0 H PHE A 39 2.252 -3.647 -31.243 1.00 0.00 H new ATOM 0 HA PHE A 39 3.839 -5.401 -29.791 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.376 -3.020 -29.237 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.717 -3.426 -28.845 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.141 -4.373 -26.722 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.235 -3.880 -27.797 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.804 -4.846 -24.405 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.900 -4.345 -25.478 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.185 -4.831 -23.778 1.00 0.00 H new ATOM 689 N CYS A 40 0.613 -6.011 -29.472 1.00 0.00 N ATOM 690 CA CYS A 40 -0.341 -7.005 -29.004 1.00 0.00 C ATOM 691 C CYS A 40 -0.327 -8.237 -29.903 1.00 0.00 C ATOM 692 O CYS A 40 0.019 -9.333 -29.462 1.00 0.00 O ATOM 693 CB CYS A 40 -1.744 -6.407 -28.940 1.00 0.00 C ATOM 694 SG CYS A 40 -1.852 -4.925 -27.912 1.00 0.00 S ATOM 0 H CYS A 40 0.197 -5.228 -29.976 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.047 -7.313 -28.001 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.072 -6.163 -29.950 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.433 -7.158 -28.554 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.439 -3.896 -28.590 1.00 0.00 H new ATOM 700 N THR A 41 -0.688 -8.058 -31.166 1.00 0.00 N ATOM 701 CA THR A 41 -0.729 -9.172 -32.096 1.00 0.00 C ATOM 702 C THR A 41 0.559 -9.258 -32.904 1.00 0.00 C ATOM 703 O THR A 41 0.832 -8.418 -33.764 1.00 0.00 O ATOM 704 CB THR A 41 -1.934 -9.073 -33.046 1.00 0.00 C ATOM 705 OG1 THR A 41 -1.989 -7.769 -33.644 1.00 0.00 O ATOM 706 CG2 THR A 41 -3.233 -9.354 -32.304 1.00 0.00 C ATOM 0 H THR A 41 -0.954 -7.158 -31.566 1.00 0.00 H new ATOM 0 HA THR A 41 -0.835 -10.080 -31.502 1.00 0.00 H new ATOM 0 HB THR A 41 -1.811 -9.822 -33.828 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.166 -7.279 -33.437 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.071 -9.278 -32.997 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.201 -10.358 -31.882 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.358 -8.627 -31.502 1.00 0.00 H new ATOM 714 N GLY A 42 1.344 -10.278 -32.614 1.00 0.00 N ATOM 715 CA GLY A 42 2.602 -10.475 -33.295 1.00 0.00 C ATOM 716 C GLY A 42 2.872 -11.940 -33.532 1.00 0.00 C ATOM 717 O GLY A 42 3.963 -12.436 -33.257 1.00 0.00 O ATOM 0 H GLY A 42 1.129 -10.983 -31.909 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.589 -9.946 -34.248 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.410 -10.045 -32.703 1.00 0.00 H new ATOM 721 N GLU A 43 1.864 -12.634 -34.034 1.00 0.00 N ATOM 722 CA GLU A 43 1.949 -14.056 -34.295 1.00 0.00 C ATOM 723 C GLU A 43 2.917 -14.329 -35.439 1.00 0.00 C ATOM 724 O GLU A 43 3.637 -15.329 -35.439 1.00 0.00 O ATOM 725 CB GLU A 43 0.564 -14.589 -34.648 1.00 0.00 C ATOM 726 CG GLU A 43 -0.513 -14.179 -33.660 1.00 0.00 C ATOM 727 CD GLU A 43 -1.887 -14.648 -34.080 1.00 0.00 C ATOM 728 OE1 GLU A 43 -2.512 -13.981 -34.933 1.00 0.00 O ATOM 729 OE2 GLU A 43 -2.348 -15.685 -33.561 1.00 0.00 O ATOM 0 H GLU A 43 0.961 -12.223 -34.272 1.00 0.00 H new ATOM 0 HA GLU A 43 2.318 -14.561 -33.402 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.289 -14.234 -35.641 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.604 -15.677 -34.699 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.277 -14.588 -32.678 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.517 -13.094 -33.560 1.00 0.00 H new ATOM 736 N ASP A 44 2.933 -13.418 -36.405 1.00 0.00 N ATOM 737 CA ASP A 44 3.801 -13.535 -37.573 1.00 0.00 C ATOM 738 C ASP A 44 5.270 -13.501 -37.171 1.00 0.00 C ATOM 739 O ASP A 44 6.117 -14.132 -37.805 1.00 0.00 O ATOM 740 CB ASP A 44 3.504 -12.407 -38.564 1.00 0.00 C ATOM 741 CG ASP A 44 4.440 -12.410 -39.756 1.00 0.00 C ATOM 742 OD1 ASP A 44 5.359 -11.565 -39.799 1.00 0.00 O ATOM 743 OD2 ASP A 44 4.261 -13.257 -40.656 1.00 0.00 O ATOM 0 H ASP A 44 2.349 -12.582 -36.402 1.00 0.00 H new ATOM 0 HA ASP A 44 3.600 -14.495 -38.049 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.476 -12.499 -38.915 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.581 -11.449 -38.050 1.00 0.00 H new ATOM 748 N SER A 45 5.565 -12.779 -36.101 1.00 0.00 N ATOM 749 CA SER A 45 6.930 -12.641 -35.625 1.00 0.00 C ATOM 750 C SER A 45 7.067 -13.169 -34.199 1.00 0.00 C ATOM 751 O SER A 45 7.804 -12.611 -33.386 1.00 0.00 O ATOM 752 CB SER A 45 7.360 -11.172 -35.694 1.00 0.00 C ATOM 753 OG SER A 45 7.252 -10.675 -37.021 1.00 0.00 O ATOM 0 H SER A 45 4.873 -12.278 -35.544 1.00 0.00 H new ATOM 0 HA SER A 45 7.582 -13.234 -36.267 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.739 -10.575 -35.026 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.388 -11.073 -35.347 1.00 0.00 H new ATOM 0 HG SER A 45 7.530 -9.735 -37.042 1.00 0.00 H new ATOM 759 N VAL A 46 6.357 -14.250 -33.899 1.00 0.00 N ATOM 760 CA VAL A 46 6.437 -14.862 -32.579 1.00 0.00 C ATOM 761 C VAL A 46 7.748 -15.631 -32.443 1.00 0.00 C ATOM 762 O VAL A 46 8.293 -15.778 -31.348 1.00 0.00 O ATOM 763 CB VAL A 46 5.235 -15.796 -32.301 1.00 0.00 C ATOM 764 CG1 VAL A 46 5.223 -16.986 -33.251 1.00 0.00 C ATOM 765 CG2 VAL A 46 5.238 -16.260 -30.854 1.00 0.00 C ATOM 0 H VAL A 46 5.724 -14.718 -34.547 1.00 0.00 H new ATOM 0 HA VAL A 46 6.405 -14.063 -31.838 1.00 0.00 H new ATOM 0 HB VAL A 46 4.324 -15.225 -32.477 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.366 -17.621 -33.028 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.153 -16.630 -34.279 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.142 -17.560 -33.127 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.385 -16.915 -30.680 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.160 -16.803 -30.648 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.171 -15.395 -30.194 1.00 0.00 H new ATOM 775 N ASP A 47 8.254 -16.098 -33.572 1.00 0.00 N ATOM 776 CA ASP A 47 9.545 -16.761 -33.619 1.00 0.00 C ATOM 777 C ASP A 47 10.655 -15.717 -33.549 1.00 0.00 C ATOM 778 O ASP A 47 10.550 -14.648 -34.157 1.00 0.00 O ATOM 779 CB ASP A 47 9.663 -17.594 -34.898 1.00 0.00 C ATOM 780 CG ASP A 47 11.006 -18.272 -35.041 1.00 0.00 C ATOM 781 OD1 ASP A 47 11.227 -19.317 -34.393 1.00 0.00 O ATOM 782 OD2 ASP A 47 11.844 -17.772 -35.812 1.00 0.00 O ATOM 0 H ASP A 47 7.785 -16.029 -34.475 1.00 0.00 H new ATOM 0 HA ASP A 47 9.640 -17.433 -32.766 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.878 -18.350 -34.906 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.494 -16.950 -35.761 1.00 0.00 H new ATOM 787 N GLY A 48 11.708 -16.020 -32.804 1.00 0.00 N ATOM 788 CA GLY A 48 12.758 -15.046 -32.570 1.00 0.00 C ATOM 789 C GLY A 48 13.805 -15.018 -33.667 1.00 0.00 C ATOM 790 O GLY A 48 14.777 -14.266 -33.576 1.00 0.00 O ATOM 0 H GLY A 48 11.856 -16.924 -32.356 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.312 -14.056 -32.478 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.243 -15.267 -31.619 1.00 0.00 H new ATOM 794 N LYS A 49 13.604 -15.832 -34.703 1.00 0.00 N ATOM 795 CA LYS A 49 14.548 -15.928 -35.814 1.00 0.00 C ATOM 796 C LYS A 49 15.938 -16.283 -35.294 1.00 0.00 C ATOM 797 O LYS A 49 16.923 -15.617 -35.612 1.00 0.00 O ATOM 798 CB LYS A 49 14.594 -14.615 -36.609 1.00 0.00 C ATOM 799 CG LYS A 49 13.241 -14.154 -37.126 1.00 0.00 C ATOM 800 CD LYS A 49 13.372 -12.873 -37.931 1.00 0.00 C ATOM 801 CE LYS A 49 12.021 -12.364 -38.409 1.00 0.00 C ATOM 802 NZ LYS A 49 11.121 -12.021 -37.276 1.00 0.00 N ATOM 0 H LYS A 49 12.789 -16.438 -34.795 1.00 0.00 H new ATOM 0 HA LYS A 49 14.209 -16.718 -36.484 1.00 0.00 H new ATOM 0 HB2 LYS A 49 15.014 -13.834 -35.975 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.271 -14.738 -37.454 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.800 -14.934 -37.747 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.563 -13.993 -36.288 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.853 -12.108 -37.321 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.019 -13.049 -38.791 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.166 -11.484 -39.035 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.547 -13.123 -39.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.316 -11.464 -37.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.771 -12.895 -36.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.646 -11.463 -36.572 1.00 0.00 H new ATOM 816 N LYS A 50 15.997 -17.337 -34.486 1.00 0.00 N ATOM 817 CA LYS A 50 17.230 -17.764 -33.832 1.00 0.00 C ATOM 818 C LYS A 50 18.377 -17.954 -34.824 1.00 0.00 C ATOM 819 O LYS A 50 19.459 -17.398 -34.637 1.00 0.00 O ATOM 820 CB LYS A 50 16.992 -19.064 -33.074 1.00 0.00 C ATOM 821 CG LYS A 50 18.211 -19.539 -32.311 1.00 0.00 C ATOM 822 CD LYS A 50 18.062 -20.983 -31.872 1.00 0.00 C ATOM 823 CE LYS A 50 19.294 -21.469 -31.125 1.00 0.00 C ATOM 824 NZ LYS A 50 20.498 -21.501 -31.997 1.00 0.00 N ATOM 0 H LYS A 50 15.190 -17.920 -34.266 1.00 0.00 H new ATOM 0 HA LYS A 50 17.519 -16.973 -33.140 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.166 -18.925 -32.377 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.688 -19.838 -33.779 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.097 -19.437 -32.938 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.365 -18.906 -31.437 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.185 -21.081 -31.232 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.892 -21.614 -32.745 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.481 -20.817 -30.272 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.107 -22.467 -30.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.260 -22.023 -31.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.265 -21.974 -32.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.813 -20.529 -32.190 1.00 0.00 H new ATOM 838 N ARG A 51 18.138 -18.735 -35.873 1.00 0.00 N ATOM 839 CA ARG A 51 19.169 -19.016 -36.878 1.00 0.00 C ATOM 840 C ARG A 51 19.654 -17.740 -37.577 1.00 0.00 C ATOM 841 O ARG A 51 20.733 -17.721 -38.168 1.00 0.00 O ATOM 842 CB ARG A 51 18.666 -20.033 -37.920 1.00 0.00 C ATOM 843 CG ARG A 51 17.699 -19.479 -38.968 1.00 0.00 C ATOM 844 CD ARG A 51 16.390 -18.985 -38.364 1.00 0.00 C ATOM 845 NE ARG A 51 15.716 -20.006 -37.564 1.00 0.00 N ATOM 846 CZ ARG A 51 14.516 -19.840 -37.008 1.00 0.00 C ATOM 847 NH1 ARG A 51 13.824 -18.734 -37.241 1.00 0.00 N ATOM 848 NH2 ARG A 51 13.998 -20.795 -36.248 1.00 0.00 N ATOM 0 H ARG A 51 17.241 -19.186 -36.053 1.00 0.00 H new ATOM 0 HA ARG A 51 20.017 -19.448 -36.346 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.529 -20.456 -38.435 1.00 0.00 H new ATOM 0 HB3 ARG A 51 18.175 -20.852 -37.395 1.00 0.00 H new ATOM 0 HG2 ARG A 51 18.180 -18.659 -39.501 1.00 0.00 H new ATOM 0 HG3 ARG A 51 17.484 -20.255 -39.703 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.589 -18.113 -37.740 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.726 -18.659 -39.164 1.00 0.00 H new ATOM 0 HE ARG A 51 16.192 -20.897 -37.423 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.210 -18.009 -37.846 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.906 -18.608 -36.815 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.518 -21.658 -36.088 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.080 -20.667 -35.823 1.00 0.00 H new ATOM 862 N GLN A 52 18.861 -16.678 -37.503 1.00 0.00 N ATOM 863 CA GLN A 52 19.217 -15.409 -38.114 1.00 0.00 C ATOM 864 C GLN A 52 19.701 -14.420 -37.060 1.00 0.00 C ATOM 865 O GLN A 52 19.979 -13.262 -37.360 1.00 0.00 O ATOM 866 CB GLN A 52 18.011 -14.820 -38.839 1.00 0.00 C ATOM 867 CG GLN A 52 17.565 -15.610 -40.058 1.00 0.00 C ATOM 868 CD GLN A 52 16.330 -15.017 -40.707 1.00 0.00 C ATOM 869 OE1 GLN A 52 16.099 -13.810 -40.644 1.00 0.00 O ATOM 870 NE2 GLN A 52 15.528 -15.857 -41.341 1.00 0.00 N ATOM 0 H GLN A 52 17.962 -16.674 -37.022 1.00 0.00 H new ATOM 0 HA GLN A 52 20.021 -15.590 -38.827 1.00 0.00 H new ATOM 0 HB2 GLN A 52 17.178 -14.754 -38.139 1.00 0.00 H new ATOM 0 HB3 GLN A 52 18.249 -13.802 -39.148 1.00 0.00 H new ATOM 0 HG2 GLN A 52 18.376 -15.640 -40.785 1.00 0.00 H new ATOM 0 HG3 GLN A 52 17.360 -16.640 -39.766 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.753 -16.851 -41.372 1.00 0.00 H new ATOM 0 HE22 GLN A 52 14.685 -15.510 -41.799 1.00 0.00 H new ATOM 879 N ARG A 53 19.787 -14.905 -35.820 1.00 0.00 N ATOM 880 CA ARG A 53 20.112 -14.077 -34.665 1.00 0.00 C ATOM 881 C ARG A 53 19.242 -12.823 -34.638 1.00 0.00 C ATOM 882 O ARG A 53 19.728 -11.713 -34.407 1.00 0.00 O ATOM 883 CB ARG A 53 21.602 -13.734 -34.652 1.00 0.00 C ATOM 884 CG ARG A 53 22.492 -14.955 -34.475 1.00 0.00 C ATOM 885 CD ARG A 53 23.949 -14.574 -34.273 1.00 0.00 C ATOM 886 NE ARG A 53 24.806 -15.754 -34.134 1.00 0.00 N ATOM 887 CZ ARG A 53 25.755 -15.887 -33.206 1.00 0.00 C ATOM 888 NH1 ARG A 53 25.995 -14.904 -32.348 1.00 0.00 N ATOM 889 NH2 ARG A 53 26.471 -17.005 -33.140 1.00 0.00 N ATOM 0 H ARG A 53 19.632 -15.887 -35.591 1.00 0.00 H new ATOM 0 HA ARG A 53 19.897 -14.643 -33.758 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.862 -13.234 -35.585 1.00 0.00 H new ATOM 0 HB3 ARG A 53 21.799 -13.027 -33.846 1.00 0.00 H new ATOM 0 HG2 ARG A 53 22.147 -15.534 -33.618 1.00 0.00 H new ATOM 0 HG3 ARG A 53 22.404 -15.598 -35.351 1.00 0.00 H new ATOM 0 HD2 ARG A 53 24.289 -13.976 -35.118 1.00 0.00 H new ATOM 0 HD3 ARG A 53 24.042 -13.951 -33.384 1.00 0.00 H new ATOM 0 HE ARG A 53 24.668 -16.524 -34.789 1.00 0.00 H new ATOM 0 HH11 ARG A 53 25.453 -14.041 -32.396 1.00 0.00 H new ATOM 0 HH12 ARG A 53 26.722 -15.011 -31.640 1.00 0.00 H new ATOM 0 HH21 ARG A 53 26.295 -17.763 -33.800 1.00 0.00 H new ATOM 0 HH22 ARG A 53 27.196 -17.105 -32.430 1.00 0.00 H new ATOM 903 N HIS A 54 17.947 -13.038 -34.890 1.00 0.00 N ATOM 904 CA HIS A 54 16.924 -11.989 -34.895 1.00 0.00 C ATOM 905 C HIS A 54 17.002 -11.128 -36.152 1.00 0.00 C ATOM 906 O HIS A 54 16.088 -11.132 -36.975 1.00 0.00 O ATOM 907 CB HIS A 54 17.011 -11.105 -33.644 1.00 0.00 C ATOM 908 CG HIS A 54 15.844 -10.182 -33.482 1.00 0.00 C ATOM 909 ND1 HIS A 54 15.838 -8.881 -33.938 1.00 0.00 N ATOM 910 CD2 HIS A 54 14.634 -10.382 -32.909 1.00 0.00 C ATOM 911 CE1 HIS A 54 14.676 -8.324 -33.654 1.00 0.00 C ATOM 912 NE2 HIS A 54 13.930 -9.213 -33.030 1.00 0.00 N ATOM 0 H HIS A 54 17.574 -13.964 -35.100 1.00 0.00 H new ATOM 0 HA HIS A 54 15.960 -12.497 -34.889 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.085 -11.742 -32.763 1.00 0.00 H new ATOM 0 HB3 HIS A 54 17.927 -10.515 -33.688 1.00 0.00 H new ATOM 0 HD1 HIS A 54 16.611 -8.421 -34.419 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.288 -11.293 -32.443 1.00 0.00 H new ATOM 0 HE1 HIS A 54 14.386 -7.311 -33.892 1.00 0.00 H new ATOM 921 N SER A 55 18.091 -10.403 -36.300 1.00 0.00 N ATOM 922 CA SER A 55 18.230 -9.451 -37.389 1.00 0.00 C ATOM 923 C SER A 55 19.350 -9.860 -38.342 1.00 0.00 C ATOM 924 O SER A 55 20.532 -9.719 -38.021 1.00 0.00 O ATOM 925 CB SER A 55 18.499 -8.056 -36.823 1.00 0.00 C ATOM 926 OG SER A 55 17.490 -7.679 -35.899 1.00 0.00 O ATOM 0 H SER A 55 18.898 -10.453 -35.678 1.00 0.00 H new ATOM 0 HA SER A 55 17.299 -9.439 -37.955 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.472 -8.040 -36.331 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.541 -7.332 -37.636 1.00 0.00 H new ATOM 0 HG SER A 55 17.905 -7.272 -35.110 1.00 0.00 H new ATOM 932 N GLY A 56 18.968 -10.368 -39.510 1.00 0.00 N ATOM 933 CA GLY A 56 19.937 -10.744 -40.522 1.00 0.00 C ATOM 934 C GLY A 56 20.677 -12.014 -40.170 1.00 0.00 C ATOM 935 O GLY A 56 20.231 -13.114 -40.500 1.00 0.00 O ATOM 0 H GLY A 56 17.996 -10.527 -39.774 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.428 -10.876 -41.477 1.00 0.00 H new ATOM 0 HA3 GLY A 56 20.654 -9.934 -40.653 1.00 0.00 H new ATOM 939 N LEU A 57 21.813 -11.858 -39.507 1.00 0.00 N ATOM 940 CA LEU A 57 22.611 -12.993 -39.062 1.00 0.00 C ATOM 941 C LEU A 57 23.674 -12.541 -38.069 1.00 0.00 C ATOM 942 O LEU A 57 24.027 -13.295 -37.164 1.00 0.00 O ATOM 943 CB LEU A 57 23.280 -13.728 -40.237 1.00 0.00 C ATOM 944 CG LEU A 57 24.284 -12.911 -41.054 1.00 0.00 C ATOM 945 CD1 LEU A 57 25.268 -13.831 -41.747 1.00 0.00 C ATOM 946 CD2 LEU A 57 23.568 -12.051 -42.083 1.00 0.00 C ATOM 0 H LEU A 57 22.206 -10.949 -39.263 1.00 0.00 H new ATOM 0 HA LEU A 57 21.929 -13.690 -38.576 1.00 0.00 H new ATOM 0 HB2 LEU A 57 23.790 -14.608 -39.846 1.00 0.00 H new ATOM 0 HB3 LEU A 57 22.499 -14.084 -40.909 1.00 0.00 H new ATOM 0 HG LEU A 57 24.827 -12.257 -40.371 1.00 0.00 H new ATOM 0 HD11 LEU A 57 25.976 -13.237 -42.325 1.00 0.00 H new ATOM 0 HD12 LEU A 57 25.807 -14.415 -41.001 1.00 0.00 H new ATOM 0 HD13 LEU A 57 24.729 -14.504 -42.414 1.00 0.00 H new ATOM 0 HD21 LEU A 57 24.301 -11.479 -42.652 1.00 0.00 H new ATOM 0 HD22 LEU A 57 23.001 -12.690 -42.760 1.00 0.00 H new ATOM 0 HD23 LEU A 57 22.888 -11.367 -41.576 1.00 0.00 H new ATOM 958 N THR A 58 24.177 -11.312 -38.269 1.00 0.00 N ATOM 959 CA THR A 58 25.179 -10.683 -37.401 1.00 0.00 C ATOM 960 C THR A 58 26.250 -11.681 -36.948 1.00 0.00 C ATOM 961 O THR A 58 26.237 -12.188 -35.822 1.00 0.00 O ATOM 962 CB THR A 58 24.542 -9.925 -36.195 1.00 0.00 C ATOM 963 OG1 THR A 58 25.563 -9.296 -35.407 1.00 0.00 O ATOM 964 CG2 THR A 58 23.698 -10.828 -35.303 1.00 0.00 C ATOM 0 H THR A 58 23.893 -10.721 -39.050 1.00 0.00 H new ATOM 0 HA THR A 58 25.678 -9.927 -38.008 1.00 0.00 H new ATOM 0 HB THR A 58 23.877 -9.173 -36.620 1.00 0.00 H new ATOM 0 HG1 THR A 58 25.412 -8.328 -35.389 1.00 0.00 H new ATOM 0 HG21 THR A 58 23.282 -10.243 -34.483 1.00 0.00 H new ATOM 0 HG22 THR A 58 22.886 -11.261 -35.888 1.00 0.00 H new ATOM 0 HG23 THR A 58 24.321 -11.626 -34.900 1.00 0.00 H new ATOM 972 N GLU A 59 27.182 -11.955 -37.852 1.00 0.00 N ATOM 973 CA GLU A 59 28.255 -12.911 -37.598 1.00 0.00 C ATOM 974 C GLU A 59 29.299 -12.359 -36.621 1.00 0.00 C ATOM 975 O GLU A 59 30.498 -12.358 -36.902 1.00 0.00 O ATOM 976 CB GLU A 59 28.919 -13.328 -38.917 1.00 0.00 C ATOM 977 CG GLU A 59 29.336 -12.157 -39.797 1.00 0.00 C ATOM 978 CD GLU A 59 30.100 -12.594 -41.030 1.00 0.00 C ATOM 979 OE1 GLU A 59 29.460 -13.043 -42.008 1.00 0.00 O ATOM 980 OE2 GLU A 59 31.345 -12.486 -41.032 1.00 0.00 O ATOM 0 H GLU A 59 27.217 -11.525 -38.776 1.00 0.00 H new ATOM 0 HA GLU A 59 27.808 -13.788 -37.130 1.00 0.00 H new ATOM 0 HB2 GLU A 59 29.798 -13.933 -38.694 1.00 0.00 H new ATOM 0 HB3 GLU A 59 28.229 -13.961 -39.475 1.00 0.00 H new ATOM 0 HG2 GLU A 59 28.448 -11.603 -40.102 1.00 0.00 H new ATOM 0 HG3 GLU A 59 29.954 -11.473 -39.215 1.00 0.00 H new ATOM 987 N GLN A 60 28.837 -11.915 -35.460 1.00 0.00 N ATOM 988 CA GLN A 60 29.722 -11.450 -34.401 1.00 0.00 C ATOM 989 C GLN A 60 30.110 -12.625 -33.509 1.00 0.00 C ATOM 990 O GLN A 60 30.147 -12.527 -32.282 1.00 0.00 O ATOM 991 CB GLN A 60 29.049 -10.343 -33.583 1.00 0.00 C ATOM 992 CG GLN A 60 27.736 -10.761 -32.940 1.00 0.00 C ATOM 993 CD GLN A 60 27.121 -9.657 -32.107 1.00 0.00 C ATOM 994 OE1 GLN A 60 27.410 -9.526 -30.916 1.00 0.00 O ATOM 995 NE2 GLN A 60 26.259 -8.865 -32.721 1.00 0.00 N ATOM 0 H GLN A 60 27.845 -11.867 -35.227 1.00 0.00 H new ATOM 0 HA GLN A 60 30.625 -11.032 -34.847 1.00 0.00 H new ATOM 0 HB2 GLN A 60 29.735 -10.014 -32.803 1.00 0.00 H new ATOM 0 HB3 GLN A 60 28.868 -9.486 -34.231 1.00 0.00 H new ATOM 0 HG2 GLN A 60 27.033 -11.059 -33.718 1.00 0.00 H new ATOM 0 HG3 GLN A 60 27.905 -11.635 -32.311 1.00 0.00 H new ATOM 0 HE21 GLN A 60 26.048 -9.009 -33.709 1.00 0.00 H new ATOM 0 HE22 GLN A 60 25.804 -8.110 -32.207 1.00 0.00 H new ATOM 1004 N THR A 61 30.405 -13.732 -34.159 1.00 0.00 N ATOM 1005 CA THR A 61 30.712 -14.978 -33.485 1.00 0.00 C ATOM 1006 C THR A 61 32.001 -15.555 -34.060 1.00 0.00 C ATOM 1007 O THR A 61 32.463 -15.109 -35.113 1.00 0.00 O ATOM 1008 CB THR A 61 29.551 -15.987 -33.657 1.00 0.00 C ATOM 1009 OG1 THR A 61 29.835 -17.217 -32.975 1.00 0.00 O ATOM 1010 CG2 THR A 61 29.288 -16.269 -35.132 1.00 0.00 C ATOM 0 H THR A 61 30.439 -13.793 -35.177 1.00 0.00 H new ATOM 0 HA THR A 61 30.842 -14.787 -32.420 1.00 0.00 H new ATOM 0 HB THR A 61 28.659 -15.538 -33.219 1.00 0.00 H new ATOM 0 HG1 THR A 61 29.087 -17.838 -33.096 1.00 0.00 H new ATOM 0 HG21 THR A 61 28.468 -16.981 -35.226 1.00 0.00 H new ATOM 0 HG22 THR A 61 29.023 -15.341 -35.638 1.00 0.00 H new ATOM 0 HG23 THR A 61 30.185 -16.687 -35.588 1.00 0.00 H new ATOM 1018 N TYR A 62 32.585 -16.522 -33.375 1.00 0.00 N ATOM 1019 CA TYR A 62 33.806 -17.143 -33.850 1.00 0.00 C ATOM 1020 C TYR A 62 33.670 -18.657 -33.875 1.00 0.00 C ATOM 1021 O TYR A 62 33.211 -19.271 -32.910 1.00 0.00 O ATOM 1022 CB TYR A 62 34.998 -16.746 -32.975 1.00 0.00 C ATOM 1023 CG TYR A 62 36.313 -17.297 -33.478 1.00 0.00 C ATOM 1024 CD1 TYR A 62 36.941 -16.730 -34.577 1.00 0.00 C ATOM 1025 CD2 TYR A 62 36.921 -18.386 -32.864 1.00 0.00 C ATOM 1026 CE1 TYR A 62 38.134 -17.231 -35.052 1.00 0.00 C ATOM 1027 CE2 TYR A 62 38.119 -18.891 -33.333 1.00 0.00 C ATOM 1028 CZ TYR A 62 38.721 -18.309 -34.428 1.00 0.00 C ATOM 1029 OH TYR A 62 39.912 -18.809 -34.906 1.00 0.00 O ATOM 0 H TYR A 62 32.234 -16.892 -32.492 1.00 0.00 H new ATOM 0 HA TYR A 62 33.982 -16.788 -34.866 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.061 -15.659 -32.928 1.00 0.00 H new ATOM 0 HB3 TYR A 62 34.828 -17.099 -31.958 1.00 0.00 H new ATOM 0 HD1 TYR A 62 36.488 -15.882 -35.069 1.00 0.00 H new ATOM 0 HD2 TYR A 62 36.450 -18.845 -32.007 1.00 0.00 H new ATOM 0 HE1 TYR A 62 38.607 -16.779 -35.911 1.00 0.00 H new ATOM 0 HE2 TYR A 62 38.581 -19.736 -32.845 1.00 0.00 H new ATOM 0 HH TYR A 62 40.193 -19.568 -34.354 1.00 0.00 H new ATOM 1039 N SER A 63 34.066 -19.244 -34.988 1.00 0.00 N ATOM 1040 CA SER A 63 34.110 -20.682 -35.125 1.00 0.00 C ATOM 1041 C SER A 63 35.544 -21.112 -35.403 1.00 0.00 C ATOM 1042 O SER A 63 36.194 -20.583 -36.308 1.00 0.00 O ATOM 1043 CB SER A 63 33.181 -21.139 -36.257 1.00 0.00 C ATOM 1044 OG SER A 63 33.192 -22.550 -36.399 1.00 0.00 O ATOM 0 H SER A 63 34.365 -18.736 -35.820 1.00 0.00 H new ATOM 0 HA SER A 63 33.768 -21.146 -34.200 1.00 0.00 H new ATOM 0 HB2 SER A 63 32.165 -20.800 -36.055 1.00 0.00 H new ATOM 0 HB3 SER A 63 33.491 -20.675 -37.193 1.00 0.00 H new ATOM 0 HG SER A 63 32.590 -22.810 -37.127 1.00 0.00 H new ATOM 1050 N ALA A 64 36.043 -22.049 -34.606 1.00 0.00 N ATOM 1051 CA ALA A 64 37.396 -22.558 -34.778 1.00 0.00 C ATOM 1052 C ALA A 64 37.448 -23.496 -35.971 1.00 0.00 C ATOM 1053 O ALA A 64 38.518 -23.784 -36.514 1.00 0.00 O ATOM 1054 CB ALA A 64 37.868 -23.263 -33.517 1.00 0.00 C ATOM 0 H ALA A 64 35.529 -22.472 -33.833 1.00 0.00 H new ATOM 0 HA ALA A 64 38.066 -21.719 -34.964 1.00 0.00 H new ATOM 0 HB1 ALA A 64 38.881 -23.636 -33.666 1.00 0.00 H new ATOM 0 HB2 ALA A 64 37.859 -22.561 -32.683 1.00 0.00 H new ATOM 0 HB3 ALA A 64 37.203 -24.098 -33.296 1.00 0.00 H new ATOM 1060 N LEU A 65 36.278 -23.973 -36.366 1.00 0.00 N ATOM 1061 CA LEU A 65 36.139 -24.800 -37.551 1.00 0.00 C ATOM 1062 C LEU A 65 35.148 -24.154 -38.511 1.00 0.00 C ATOM 1063 O LEU A 65 33.969 -24.521 -38.537 1.00 0.00 O ATOM 1064 CB LEU A 65 35.667 -26.218 -37.196 1.00 0.00 C ATOM 1065 CG LEU A 65 36.688 -27.112 -36.492 1.00 0.00 C ATOM 1066 CD1 LEU A 65 36.904 -26.686 -35.049 1.00 0.00 C ATOM 1067 CD2 LEU A 65 36.248 -28.564 -36.555 1.00 0.00 C ATOM 0 H LEU A 65 35.401 -23.798 -35.875 1.00 0.00 H new ATOM 0 HA LEU A 65 37.117 -24.880 -38.025 1.00 0.00 H new ATOM 0 HB2 LEU A 65 34.786 -26.137 -36.559 1.00 0.00 H new ATOM 0 HB3 LEU A 65 35.352 -26.714 -38.114 1.00 0.00 H new ATOM 0 HG LEU A 65 37.639 -27.006 -37.014 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.636 -27.344 -34.581 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.270 -25.660 -35.024 1.00 0.00 H new ATOM 0 HD13 LEU A 65 35.961 -26.748 -34.506 1.00 0.00 H new ATOM 0 HD21 LEU A 65 36.984 -29.189 -36.050 1.00 0.00 H new ATOM 0 HD22 LEU A 65 35.281 -28.673 -36.064 1.00 0.00 H new ATOM 0 HD23 LEU A 65 36.163 -28.873 -37.597 1.00 0.00 H new ATOM 1079 N PRO A 66 35.604 -23.164 -39.297 1.00 0.00 N ATOM 1080 CA PRO A 66 34.757 -22.464 -40.261 1.00 0.00 C ATOM 1081 C PRO A 66 34.390 -23.369 -41.427 1.00 0.00 C ATOM 1082 O PRO A 66 35.122 -23.441 -42.419 1.00 0.00 O ATOM 1083 CB PRO A 66 35.625 -21.288 -40.740 1.00 0.00 C ATOM 1084 CG PRO A 66 36.800 -21.250 -39.818 1.00 0.00 C ATOM 1085 CD PRO A 66 36.979 -22.654 -39.323 1.00 0.00 C ATOM 0 HA PRO A 66 33.813 -22.140 -39.823 1.00 0.00 H new ATOM 0 HB2 PRO A 66 35.942 -21.431 -41.773 1.00 0.00 H new ATOM 0 HB3 PRO A 66 35.069 -20.351 -40.704 1.00 0.00 H new ATOM 0 HG2 PRO A 66 37.693 -20.902 -40.337 1.00 0.00 H new ATOM 0 HG3 PRO A 66 36.625 -20.563 -38.990 1.00 0.00 H new ATOM 0 HD2 PRO A 66 37.616 -23.239 -39.987 1.00 0.00 H new ATOM 0 HD3 PRO A 66 37.439 -22.680 -38.335 1.00 0.00 H new ATOM 1093 N GLU A 67 33.264 -24.064 -41.287 1.00 0.00 N ATOM 1094 CA GLU A 67 32.811 -25.041 -42.267 1.00 0.00 C ATOM 1095 C GLU A 67 33.884 -26.113 -42.487 1.00 0.00 C ATOM 1096 O GLU A 67 34.601 -26.095 -43.492 1.00 0.00 O ATOM 1097 CB GLU A 67 32.453 -24.352 -43.583 1.00 0.00 C ATOM 1098 CG GLU A 67 31.668 -25.238 -44.529 1.00 0.00 C ATOM 1099 CD GLU A 67 30.338 -25.665 -43.947 1.00 0.00 C ATOM 1100 OE1 GLU A 67 30.168 -26.868 -43.660 1.00 0.00 O ATOM 1101 OE2 GLU A 67 29.460 -24.796 -43.768 1.00 0.00 O ATOM 0 H GLU A 67 32.639 -23.963 -40.487 1.00 0.00 H new ATOM 0 HA GLU A 67 31.914 -25.529 -41.884 1.00 0.00 H new ATOM 0 HB2 GLU A 67 31.871 -23.455 -43.369 1.00 0.00 H new ATOM 0 HB3 GLU A 67 33.369 -24.027 -44.076 1.00 0.00 H new ATOM 0 HG2 GLU A 67 31.498 -24.706 -45.465 1.00 0.00 H new ATOM 0 HG3 GLU A 67 32.258 -26.123 -44.768 1.00 0.00 H new ATOM 1108 N PRO A 68 34.011 -27.058 -41.542 1.00 0.00 N ATOM 1109 CA PRO A 68 35.041 -28.099 -41.594 1.00 0.00 C ATOM 1110 C PRO A 68 34.708 -29.205 -42.592 1.00 0.00 C ATOM 1111 O PRO A 68 34.453 -30.349 -42.210 1.00 0.00 O ATOM 1112 CB PRO A 68 35.051 -28.647 -40.168 1.00 0.00 C ATOM 1113 CG PRO A 68 33.663 -28.433 -39.669 1.00 0.00 C ATOM 1114 CD PRO A 68 33.155 -27.188 -40.348 1.00 0.00 C ATOM 0 HA PRO A 68 36.003 -27.707 -41.925 1.00 0.00 H new ATOM 0 HB2 PRO A 68 35.319 -29.703 -40.152 1.00 0.00 H new ATOM 0 HB3 PRO A 68 35.779 -28.124 -39.548 1.00 0.00 H new ATOM 0 HG2 PRO A 68 33.030 -29.289 -39.903 1.00 0.00 H new ATOM 0 HG3 PRO A 68 33.653 -28.316 -38.585 1.00 0.00 H new ATOM 0 HD2 PRO A 68 32.103 -27.282 -40.619 1.00 0.00 H new ATOM 0 HD3 PRO A 68 33.240 -26.316 -39.699 1.00 0.00 H new ATOM 1122 N LYS A 69 34.710 -28.860 -43.869 1.00 0.00 N ATOM 1123 CA LYS A 69 34.420 -29.824 -44.917 1.00 0.00 C ATOM 1124 C LYS A 69 35.685 -30.574 -45.330 1.00 0.00 C ATOM 1125 O LYS A 69 35.702 -31.805 -45.353 1.00 0.00 O ATOM 1126 CB LYS A 69 33.773 -29.134 -46.128 1.00 0.00 C ATOM 1127 CG LYS A 69 34.560 -27.952 -46.682 1.00 0.00 C ATOM 1128 CD LYS A 69 33.904 -27.370 -47.926 1.00 0.00 C ATOM 1129 CE LYS A 69 32.527 -26.801 -47.625 1.00 0.00 C ATOM 1130 NZ LYS A 69 31.865 -26.258 -48.839 1.00 0.00 N ATOM 0 H LYS A 69 34.910 -27.918 -44.205 1.00 0.00 H new ATOM 0 HA LYS A 69 33.710 -30.551 -44.522 1.00 0.00 H new ATOM 0 HB2 LYS A 69 33.642 -29.870 -46.921 1.00 0.00 H new ATOM 0 HB3 LYS A 69 32.778 -28.790 -45.845 1.00 0.00 H new ATOM 0 HG2 LYS A 69 34.641 -27.179 -45.918 1.00 0.00 H new ATOM 0 HG3 LYS A 69 35.575 -28.271 -46.921 1.00 0.00 H new ATOM 0 HD2 LYS A 69 34.539 -26.586 -48.339 1.00 0.00 H new ATOM 0 HD3 LYS A 69 33.818 -28.145 -48.688 1.00 0.00 H new ATOM 0 HE2 LYS A 69 31.901 -27.580 -47.190 1.00 0.00 H new ATOM 0 HE3 LYS A 69 32.617 -26.011 -46.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.929 -25.881 -48.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 32.448 -25.496 -49.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 31.754 -27.016 -49.542 1.00 0.00 H new ATOM 1144 N ALA A 70 36.739 -29.822 -45.627 1.00 0.00 N ATOM 1145 CA ALA A 70 38.017 -30.380 -46.062 1.00 0.00 C ATOM 1146 C ALA A 70 39.008 -29.255 -46.326 1.00 0.00 C ATOM 1147 O ALA A 70 38.643 -28.222 -46.887 1.00 0.00 O ATOM 1148 CB ALA A 70 37.845 -31.221 -47.320 1.00 0.00 C ATOM 0 H ALA A 70 36.732 -28.803 -45.573 1.00 0.00 H new ATOM 0 HA ALA A 70 38.398 -31.023 -45.269 1.00 0.00 H new ATOM 0 HB1 ALA A 70 38.811 -31.625 -47.623 1.00 0.00 H new ATOM 0 HB2 ALA A 70 37.156 -32.041 -47.118 1.00 0.00 H new ATOM 0 HB3 ALA A 70 37.444 -30.600 -48.121 1.00 0.00 H new ATOM 1154 N THR A 71 40.250 -29.443 -45.914 1.00 0.00 N ATOM 1155 CA THR A 71 41.287 -28.457 -46.162 1.00 0.00 C ATOM 1156 C THR A 71 42.642 -29.147 -46.354 1.00 0.00 C ATOM 1157 O THR A 71 43.050 -29.323 -47.520 1.00 0.00 O ATOM 1158 CB THR A 71 41.340 -27.380 -45.041 1.00 0.00 C ATOM 1159 OG1 THR A 71 42.391 -26.438 -45.288 1.00 0.00 O ATOM 1160 CG2 THR A 71 41.521 -27.992 -43.659 1.00 0.00 C ATOM 1161 OXT THR A 71 43.276 -29.556 -45.355 1.00 0.00 O ATOM 0 H THR A 71 40.565 -30.270 -45.406 1.00 0.00 H new ATOM 0 HA THR A 71 41.041 -27.931 -47.085 1.00 0.00 H new ATOM 0 HB THR A 71 40.379 -26.867 -45.058 1.00 0.00 H new ATOM 0 HG1 THR A 71 42.406 -25.769 -44.572 1.00 0.00 H new ATOM 0 HG21 THR A 71 41.552 -27.199 -42.911 1.00 0.00 H new ATOM 0 HG22 THR A 71 40.687 -28.660 -43.445 1.00 0.00 H new ATOM 0 HG23 THR A 71 42.454 -28.555 -43.630 1.00 0.00 H new TER 1169 THR A 71