USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 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 9 TYR OH : rot 180:sc= 0.683 USER MOD Set 1.2: A 18 LYS NZ :NH3+ 166:sc= 2.1 (180deg=0.383) USER MOD Set 1.3: A 66 TYR OH : rot 167:sc= 0.669 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 1.06 (180deg=-0.156) USER MOD Single : A 10 SER OG : rot -1:sc= 0.741 USER MOD Single : A 13 CYS SG : rot 180:sc= 0.539 USER MOD Single : A 15 TYR OH : rot -122:sc= -0.504 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot -104:sc= 1.02 USER MOD Single : A 21 GLN : amide:sc= 0.505 K(o=0.51,f=-0.0069) USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 1.02! (180deg=0.695!) USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0.619 (180deg=0.236) USER MOD Single : A 28 HIS : no HE2:sc= 0.651 K(o=0.65,f=-2.3!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.00259 USER MOD Single : A 37 CYS SG : rot 76:sc= 0.767 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.27 X(o=0.27,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -0.302 K(o=-0.3,f=-2.9!) USER MOD Single : A 59 SER OG : rot 75:sc= 1.72 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 1.24 (180deg=0.961) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0411 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 3.49 (180deg=3.35) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.04) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 CYS SG : rot -32:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.091 -1.149 -2.496 1.00 0.00 N ATOM 2 CA MET A 1 2.323 -0.712 -1.813 1.00 0.00 C ATOM 3 C MET A 1 3.021 0.333 -2.664 1.00 0.00 C ATOM 4 O MET A 1 3.041 0.168 -3.881 1.00 0.00 O ATOM 5 CB MET A 1 3.289 -1.872 -1.529 1.00 0.00 C ATOM 6 CG MET A 1 2.607 -3.043 -0.817 1.00 0.00 C ATOM 7 SD MET A 1 1.779 -4.232 -1.909 1.00 0.00 S ATOM 8 CE MET A 1 3.212 -5.237 -2.390 1.00 0.00 C ATOM 0 H1 MET A 1 0.262 -0.826 -1.957 1.00 0.00 H new ATOM 0 H2 MET A 1 1.062 -0.743 -3.453 1.00 0.00 H new ATOM 0 H3 MET A 1 1.079 -2.187 -2.560 1.00 0.00 H new ATOM 0 HA MET A 1 2.032 -0.295 -0.849 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.717 -2.222 -2.468 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.115 -1.511 -0.917 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.354 -3.574 -0.227 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.873 -2.644 -0.117 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.891 -6.027 -3.068 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.947 -4.606 -2.890 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.660 -5.682 -1.501 1.00 0.00 H new ATOM 20 N ALA A 2 3.601 1.356 -2.029 1.00 0.00 N ATOM 21 CA ALA A 2 4.129 2.570 -2.663 1.00 0.00 C ATOM 22 C ALA A 2 3.102 3.339 -3.531 1.00 0.00 C ATOM 23 O ALA A 2 1.926 2.982 -3.615 1.00 0.00 O ATOM 24 CB ALA A 2 5.445 2.235 -3.385 1.00 0.00 C ATOM 0 H ALA A 2 3.721 1.362 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 2 4.349 3.292 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.840 3.134 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.169 1.856 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.260 1.477 -4.146 1.00 0.00 H new ATOM 30 N LEU A 3 3.549 4.433 -4.160 1.00 0.00 N ATOM 31 CA LEU A 3 2.727 5.340 -4.970 1.00 0.00 C ATOM 32 C LEU A 3 3.343 5.543 -6.363 1.00 0.00 C ATOM 33 O LEU A 3 4.490 5.946 -6.484 1.00 0.00 O ATOM 34 CB LEU A 3 2.596 6.679 -4.231 1.00 0.00 C ATOM 35 CG LEU A 3 1.353 7.502 -4.575 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.068 6.896 -4.013 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.523 8.895 -3.974 1.00 0.00 C ATOM 0 H LEU A 3 4.527 4.721 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 3 1.738 4.904 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.596 6.484 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.479 7.280 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 3 1.262 7.526 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.780 7.522 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.072 5.895 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.138 6.837 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.647 9.501 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.631 8.814 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.412 9.366 -4.393 1.00 0.00 H new ATOM 49 N ALA A 4 2.570 5.254 -7.403 1.00 0.00 N ATOM 50 CA ALA A 4 3.020 5.089 -8.786 1.00 0.00 C ATOM 51 C ALA A 4 2.942 6.378 -9.646 1.00 0.00 C ATOM 52 O ALA A 4 1.859 6.713 -10.140 1.00 0.00 O ATOM 53 CB ALA A 4 2.202 3.914 -9.349 1.00 0.00 C ATOM 0 H ALA A 4 1.564 5.121 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 4 4.088 4.873 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.489 3.735 -10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.397 3.019 -8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.140 4.155 -9.303 1.00 0.00 H new ATOM 59 N VAL A 5 4.051 7.099 -9.875 1.00 0.00 N ATOM 60 CA VAL A 5 4.075 8.410 -10.553 1.00 0.00 C ATOM 61 C VAL A 5 4.683 8.317 -11.958 1.00 0.00 C ATOM 62 O VAL A 5 5.544 7.492 -12.252 1.00 0.00 O ATOM 63 CB VAL A 5 4.779 9.497 -9.706 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.562 10.934 -10.208 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.327 9.499 -8.240 1.00 0.00 C ATOM 0 H VAL A 5 4.977 6.782 -9.589 1.00 0.00 H new ATOM 0 HA VAL A 5 3.035 8.717 -10.666 1.00 0.00 H new ATOM 0 HB VAL A 5 5.829 9.222 -9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.090 11.631 -9.557 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.945 11.026 -11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.497 11.165 -10.199 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.856 10.283 -7.697 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.254 9.684 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.550 8.532 -7.789 1.00 0.00 H new ATOM 75 N ARG A 6 4.192 9.177 -12.841 1.00 0.00 N ATOM 76 CA ARG A 6 4.483 9.294 -14.274 1.00 0.00 C ATOM 77 C ARG A 6 4.669 10.756 -14.708 1.00 0.00 C ATOM 78 O ARG A 6 4.095 11.654 -14.091 1.00 0.00 O ATOM 79 CB ARG A 6 3.323 8.638 -15.051 1.00 0.00 C ATOM 80 CG ARG A 6 3.771 7.548 -16.031 1.00 0.00 C ATOM 81 CD ARG A 6 4.522 6.364 -15.401 1.00 0.00 C ATOM 82 NE ARG A 6 3.757 5.718 -14.323 1.00 0.00 N ATOM 83 CZ ARG A 6 4.237 4.981 -13.339 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.366 4.337 -13.349 1.00 0.00 N ATOM 85 NH2 ARG A 6 3.566 4.891 -12.242 1.00 0.00 N ATOM 0 H ARG A 6 3.514 9.881 -12.549 1.00 0.00 H new ATOM 0 HA ARG A 6 5.424 8.787 -14.490 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.620 8.206 -14.339 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.785 9.410 -15.602 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.892 7.165 -16.549 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.412 8.003 -16.786 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.746 5.628 -16.173 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.476 6.713 -15.006 1.00 0.00 H new ATOM 0 HE ARG A 6 2.746 5.855 -14.338 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.968 4.376 -14.171 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.650 3.792 -12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.679 5.385 -12.145 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.922 4.326 -11.471 1.00 0.00 H new ATOM 99 N VAL A 7 5.373 10.971 -15.826 1.00 0.00 N ATOM 100 CA VAL A 7 5.654 12.265 -16.482 1.00 0.00 C ATOM 101 C VAL A 7 5.612 12.087 -18.004 1.00 0.00 C ATOM 102 O VAL A 7 6.546 11.507 -18.565 1.00 0.00 O ATOM 103 CB VAL A 7 7.042 12.851 -16.115 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.092 14.321 -16.549 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.450 12.744 -14.646 1.00 0.00 C ATOM 0 H VAL A 7 5.793 10.194 -16.336 1.00 0.00 H new ATOM 0 HA VAL A 7 4.890 12.958 -16.130 1.00 0.00 H new ATOM 0 HB VAL A 7 7.763 12.233 -16.650 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.065 14.742 -16.295 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.937 14.388 -17.626 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.309 14.879 -16.035 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.437 13.186 -14.509 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.726 13.275 -14.028 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.479 11.695 -14.352 1.00 0.00 H new ATOM 115 N VAL A 8 4.556 12.542 -18.680 1.00 0.00 N ATOM 116 CA VAL A 8 4.434 12.464 -20.154 1.00 0.00 C ATOM 117 C VAL A 8 4.962 13.749 -20.805 1.00 0.00 C ATOM 118 O VAL A 8 4.397 14.818 -20.584 1.00 0.00 O ATOM 119 CB VAL A 8 2.983 12.204 -20.608 1.00 0.00 C ATOM 120 CG1 VAL A 8 2.931 11.855 -22.103 1.00 0.00 C ATOM 121 CG2 VAL A 8 2.321 11.058 -19.830 1.00 0.00 C ATOM 0 H VAL A 8 3.753 12.978 -18.227 1.00 0.00 H new ATOM 0 HA VAL A 8 5.038 11.617 -20.479 1.00 0.00 H new ATOM 0 HB VAL A 8 2.438 13.127 -20.411 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.897 11.676 -22.399 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.337 12.683 -22.684 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.522 10.958 -22.288 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.301 10.916 -20.188 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.889 10.140 -19.980 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.302 11.303 -18.768 1.00 0.00 H new ATOM 131 N TYR A 9 6.037 13.676 -21.594 1.00 0.00 N ATOM 132 CA TYR A 9 6.724 14.837 -22.197 1.00 0.00 C ATOM 133 C TYR A 9 7.054 14.601 -23.676 1.00 0.00 C ATOM 134 O TYR A 9 7.269 13.483 -24.131 1.00 0.00 O ATOM 135 CB TYR A 9 8.006 15.113 -21.382 1.00 0.00 C ATOM 136 CG TYR A 9 9.014 16.198 -21.775 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.653 17.390 -22.434 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.355 16.038 -21.376 1.00 0.00 C ATOM 139 CE1 TYR A 9 9.600 18.390 -22.718 1.00 0.00 C ATOM 140 CE2 TYR A 9 11.307 17.047 -21.627 1.00 0.00 C ATOM 141 CZ TYR A 9 10.935 18.217 -22.315 1.00 0.00 C ATOM 142 OH TYR A 9 11.852 19.197 -22.536 1.00 0.00 O ATOM 0 H TYR A 9 6.471 12.787 -21.842 1.00 0.00 H new ATOM 0 HA TYR A 9 6.063 15.703 -22.165 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.686 15.338 -20.365 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.558 14.174 -21.342 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.625 17.539 -22.728 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.658 15.132 -20.872 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.303 19.286 -23.243 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.325 16.922 -21.290 1.00 0.00 H new ATOM 0 HH TYR A 9 12.725 18.912 -22.193 1.00 0.00 H new ATOM 152 N SER A 10 7.191 15.682 -24.427 1.00 0.00 N ATOM 153 CA SER A 10 7.887 15.754 -25.711 1.00 0.00 C ATOM 154 C SER A 10 9.411 15.582 -25.532 1.00 0.00 C ATOM 155 O SER A 10 10.152 16.568 -25.479 1.00 0.00 O ATOM 156 CB SER A 10 7.539 17.092 -26.376 1.00 0.00 C ATOM 157 OG SER A 10 7.909 18.160 -25.527 1.00 0.00 O ATOM 0 H SER A 10 6.801 16.582 -24.147 1.00 0.00 H new ATOM 0 HA SER A 10 7.561 14.937 -26.355 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.056 17.179 -27.331 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.471 17.137 -26.587 1.00 0.00 H new ATOM 0 HG SER A 10 8.294 17.802 -24.700 1.00 0.00 H new ATOM 163 N GLY A 11 9.887 14.337 -25.416 1.00 0.00 N ATOM 164 CA GLY A 11 11.268 13.963 -25.057 1.00 0.00 C ATOM 165 C GLY A 11 12.337 14.166 -26.144 1.00 0.00 C ATOM 166 O GLY A 11 13.201 13.308 -26.324 1.00 0.00 O ATOM 0 H GLY A 11 9.296 13.522 -25.577 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.560 14.539 -24.179 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.273 12.913 -24.766 1.00 0.00 H new ATOM 170 N ALA A 12 12.299 15.301 -26.848 1.00 0.00 N ATOM 171 CA ALA A 12 13.195 15.744 -27.921 1.00 0.00 C ATOM 172 C ALA A 12 14.629 16.057 -27.427 1.00 0.00 C ATOM 173 O ALA A 12 15.114 17.185 -27.501 1.00 0.00 O ATOM 174 CB ALA A 12 12.528 16.946 -28.609 1.00 0.00 C ATOM 0 H ALA A 12 11.575 15.996 -26.665 1.00 0.00 H new ATOM 0 HA ALA A 12 13.336 14.934 -28.637 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.167 17.304 -29.416 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.564 16.643 -29.018 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.379 17.745 -27.882 1.00 0.00 H new ATOM 180 N CYS A 13 15.306 15.028 -26.910 1.00 0.00 N ATOM 181 CA CYS A 13 16.531 15.106 -26.107 1.00 0.00 C ATOM 182 C CYS A 13 16.350 15.980 -24.843 1.00 0.00 C ATOM 183 O CYS A 13 15.230 16.327 -24.467 1.00 0.00 O ATOM 184 CB CYS A 13 17.712 15.500 -27.013 1.00 0.00 C ATOM 185 SG CYS A 13 19.289 14.963 -26.280 1.00 0.00 S ATOM 0 H CYS A 13 14.998 14.065 -27.048 1.00 0.00 H new ATOM 0 HA CYS A 13 16.768 14.124 -25.699 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.589 15.047 -27.997 1.00 0.00 H new ATOM 0 HB3 CYS A 13 17.721 16.580 -27.158 1.00 0.00 H new ATOM 0 HG CYS A 13 20.270 15.304 -27.062 1.00 0.00 H new ATOM 191 N GLY A 14 17.429 16.235 -24.091 1.00 0.00 N ATOM 192 CA GLY A 14 17.482 17.046 -22.860 1.00 0.00 C ATOM 193 C GLY A 14 16.664 16.543 -21.655 1.00 0.00 C ATOM 194 O GLY A 14 16.920 16.950 -20.524 1.00 0.00 O ATOM 0 H GLY A 14 18.345 15.860 -24.338 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.524 17.126 -22.552 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.143 18.053 -23.103 1.00 0.00 H new ATOM 198 N TYR A 15 15.686 15.658 -21.861 1.00 0.00 N ATOM 199 CA TYR A 15 14.729 15.243 -20.842 1.00 0.00 C ATOM 200 C TYR A 15 15.337 14.439 -19.696 1.00 0.00 C ATOM 201 O TYR A 15 14.843 14.538 -18.585 1.00 0.00 O ATOM 202 CB TYR A 15 13.580 14.458 -21.487 1.00 0.00 C ATOM 203 CG TYR A 15 13.893 13.036 -21.903 1.00 0.00 C ATOM 204 CD1 TYR A 15 13.710 11.987 -20.977 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.323 12.754 -23.212 1.00 0.00 C ATOM 206 CE1 TYR A 15 13.970 10.659 -21.356 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.578 11.424 -23.596 1.00 0.00 C ATOM 208 CZ TYR A 15 14.404 10.376 -22.669 1.00 0.00 C ATOM 209 OH TYR A 15 14.664 9.093 -23.031 1.00 0.00 O ATOM 0 H TYR A 15 15.537 15.202 -22.761 1.00 0.00 H new ATOM 0 HA TYR A 15 14.356 16.163 -20.392 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.745 14.434 -20.786 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.242 15.006 -22.367 1.00 0.00 H new ATOM 0 HD1 TYR A 15 13.370 12.205 -19.976 1.00 0.00 H new ATOM 0 HD2 TYR A 15 14.457 13.557 -23.922 1.00 0.00 H new ATOM 0 HE1 TYR A 15 13.838 9.857 -20.645 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.907 11.206 -24.601 1.00 0.00 H new ATOM 0 HH TYR A 15 15.591 9.022 -23.342 1.00 0.00 H new ATOM 219 N LYS A 16 16.397 13.664 -19.940 1.00 0.00 N ATOM 220 CA LYS A 16 17.050 12.792 -18.944 1.00 0.00 C ATOM 221 C LYS A 16 17.473 13.523 -17.655 1.00 0.00 C ATOM 222 O LYS A 16 16.901 13.194 -16.619 1.00 0.00 O ATOM 223 CB LYS A 16 18.207 12.003 -19.592 1.00 0.00 C ATOM 224 CG LYS A 16 17.769 10.925 -20.589 1.00 0.00 C ATOM 225 CD LYS A 16 17.645 9.557 -19.903 1.00 0.00 C ATOM 226 CE LYS A 16 17.179 8.548 -20.948 1.00 0.00 C ATOM 227 NZ LYS A 16 17.101 7.164 -20.416 1.00 0.00 N ATOM 0 H LYS A 16 16.841 13.620 -20.857 1.00 0.00 H new ATOM 0 HA LYS A 16 16.298 12.077 -18.610 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.866 12.705 -20.103 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.794 11.532 -18.803 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.812 11.202 -21.032 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.491 10.863 -21.403 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.603 9.254 -19.481 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.935 9.607 -19.078 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.199 8.845 -21.321 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.863 8.568 -21.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.780 6.521 -21.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.040 6.866 -20.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.428 7.134 -19.624 1.00 0.00 H new ATOM 241 N PRO A 17 18.398 14.507 -17.651 1.00 0.00 N ATOM 242 CA PRO A 17 18.744 15.233 -16.424 1.00 0.00 C ATOM 243 C PRO A 17 17.578 16.082 -15.899 1.00 0.00 C ATOM 244 O PRO A 17 17.405 16.183 -14.691 1.00 0.00 O ATOM 245 CB PRO A 17 19.960 16.093 -16.783 1.00 0.00 C ATOM 246 CG PRO A 17 19.801 16.324 -18.286 1.00 0.00 C ATOM 247 CD PRO A 17 19.188 15.010 -18.767 1.00 0.00 C ATOM 0 HA PRO A 17 18.969 14.542 -15.612 1.00 0.00 H new ATOM 0 HB2 PRO A 17 19.965 17.033 -16.231 1.00 0.00 H new ATOM 0 HB3 PRO A 17 20.895 15.583 -16.552 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.153 17.174 -18.498 1.00 0.00 H new ATOM 0 HG3 PRO A 17 20.758 16.524 -18.768 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.565 15.169 -19.647 1.00 0.00 H new ATOM 0 HD3 PRO A 17 19.963 14.298 -19.050 1.00 0.00 H new ATOM 255 N LYS A 18 16.724 16.623 -16.778 1.00 0.00 N ATOM 256 CA LYS A 18 15.503 17.358 -16.399 1.00 0.00 C ATOM 257 C LYS A 18 14.552 16.496 -15.552 1.00 0.00 C ATOM 258 O LYS A 18 14.113 16.923 -14.488 1.00 0.00 O ATOM 259 CB LYS A 18 14.871 17.892 -17.693 1.00 0.00 C ATOM 260 CG LYS A 18 13.643 18.792 -17.501 1.00 0.00 C ATOM 261 CD LYS A 18 13.241 19.348 -18.875 1.00 0.00 C ATOM 262 CE LYS A 18 11.995 20.233 -18.798 1.00 0.00 C ATOM 263 NZ LYS A 18 11.704 20.834 -20.123 1.00 0.00 N ATOM 0 H LYS A 18 16.861 16.563 -17.787 1.00 0.00 H new ATOM 0 HA LYS A 18 15.742 18.200 -15.749 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.628 18.451 -18.244 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.585 17.044 -18.315 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.821 18.226 -17.064 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.871 19.606 -16.813 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.069 19.924 -19.288 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.055 18.521 -19.560 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.142 19.642 -18.464 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.146 21.021 -18.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.743 21.232 -20.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.391 21.590 -20.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.774 20.102 -20.859 1.00 0.00 H new ATOM 277 N TYR A 19 14.278 15.272 -16.006 1.00 0.00 N ATOM 278 CA TYR A 19 13.581 14.222 -15.270 1.00 0.00 C ATOM 279 C TYR A 19 14.319 13.880 -13.979 1.00 0.00 C ATOM 280 O TYR A 19 13.708 13.942 -12.921 1.00 0.00 O ATOM 281 CB TYR A 19 13.420 12.975 -16.165 1.00 0.00 C ATOM 282 CG TYR A 19 12.200 12.920 -17.075 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.478 14.079 -17.429 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.779 11.665 -17.565 1.00 0.00 C ATOM 285 CE1 TYR A 19 10.328 13.976 -18.235 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.641 11.563 -18.387 1.00 0.00 C ATOM 287 CZ TYR A 19 9.904 12.722 -18.712 1.00 0.00 C ATOM 288 OH TYR A 19 8.801 12.651 -19.498 1.00 0.00 O ATOM 0 H TYR A 19 14.550 14.974 -16.943 1.00 0.00 H new ATOM 0 HA TYR A 19 12.590 14.584 -14.995 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.310 12.891 -16.789 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.399 12.097 -15.519 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.808 15.047 -17.081 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.335 10.776 -17.307 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.768 14.864 -18.488 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.333 10.601 -18.768 1.00 0.00 H new ATOM 0 HH TYR A 19 8.047 12.311 -18.973 1.00 0.00 H new ATOM 298 N LEU A 20 15.609 13.533 -14.043 1.00 0.00 N ATOM 299 CA LEU A 20 16.376 13.120 -12.865 1.00 0.00 C ATOM 300 C LEU A 20 16.443 14.169 -11.760 1.00 0.00 C ATOM 301 O LEU A 20 16.381 13.782 -10.613 1.00 0.00 O ATOM 302 CB LEU A 20 17.809 12.786 -13.234 1.00 0.00 C ATOM 303 CG LEU A 20 17.997 11.490 -14.038 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.433 11.421 -14.548 1.00 0.00 C ATOM 305 CD2 LEU A 20 17.718 10.243 -13.194 1.00 0.00 C ATOM 0 H LEU A 20 16.148 13.531 -14.909 1.00 0.00 H new ATOM 0 HA LEU A 20 15.836 12.250 -12.490 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.220 13.614 -13.811 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.395 12.714 -12.318 1.00 0.00 H new ATOM 0 HG LEU A 20 17.286 11.508 -14.864 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.572 10.503 -15.119 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.634 12.281 -15.187 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.120 11.430 -13.702 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.863 9.351 -13.804 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.401 10.218 -12.345 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.690 10.271 -12.832 1.00 0.00 H new ATOM 317 N GLN A 21 16.585 15.460 -12.050 1.00 0.00 N ATOM 318 CA GLN A 21 16.682 16.502 -11.028 1.00 0.00 C ATOM 319 C GLN A 21 15.357 16.656 -10.271 1.00 0.00 C ATOM 320 O GLN A 21 15.344 16.745 -9.040 1.00 0.00 O ATOM 321 CB GLN A 21 17.134 17.814 -11.697 1.00 0.00 C ATOM 322 CG GLN A 21 17.885 18.743 -10.734 1.00 0.00 C ATOM 323 CD GLN A 21 17.014 19.769 -10.005 1.00 0.00 C ATOM 324 OE1 GLN A 21 17.059 20.955 -10.270 1.00 0.00 O ATOM 325 NE2 GLN A 21 16.182 19.389 -9.064 1.00 0.00 N ATOM 0 H GLN A 21 16.636 15.816 -13.005 1.00 0.00 H new ATOM 0 HA GLN A 21 17.425 16.222 -10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.777 17.581 -12.546 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.262 18.335 -12.091 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.397 18.132 -9.991 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.654 19.275 -11.294 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.114 18.403 -8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.604 20.079 -8.585 1.00 0.00 H new ATOM 334 N LEU A 22 14.239 16.668 -11.004 1.00 0.00 N ATOM 335 CA LEU A 22 12.893 16.642 -10.434 1.00 0.00 C ATOM 336 C LEU A 22 12.672 15.346 -9.630 1.00 0.00 C ATOM 337 O LEU A 22 12.229 15.413 -8.482 1.00 0.00 O ATOM 338 CB LEU A 22 11.887 16.841 -11.590 1.00 0.00 C ATOM 339 CG LEU A 22 10.472 17.339 -11.232 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.654 16.362 -10.391 1.00 0.00 C ATOM 341 CD2 LEU A 22 10.481 18.698 -10.531 1.00 0.00 C ATOM 0 H LEU A 22 14.246 16.696 -12.024 1.00 0.00 H new ATOM 0 HA LEU A 22 12.746 17.450 -9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.323 17.548 -12.296 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.785 15.890 -12.113 1.00 0.00 H new ATOM 0 HG LEU A 22 9.987 17.432 -12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.674 16.791 -10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.533 15.426 -10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.171 16.170 -9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.458 18.997 -10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.052 18.626 -9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.940 19.441 -11.184 1.00 0.00 H new ATOM 353 N LYS A 23 13.033 14.183 -10.199 1.00 0.00 N ATOM 354 CA LYS A 23 12.929 12.852 -9.607 1.00 0.00 C ATOM 355 C LYS A 23 13.720 12.738 -8.320 1.00 0.00 C ATOM 356 O LYS A 23 13.131 12.448 -7.286 1.00 0.00 O ATOM 357 CB LYS A 23 13.486 11.840 -10.604 1.00 0.00 C ATOM 358 CG LYS A 23 12.483 11.305 -11.623 1.00 0.00 C ATOM 359 CD LYS A 23 12.128 9.864 -11.262 1.00 0.00 C ATOM 360 CE LYS A 23 13.296 8.905 -11.501 1.00 0.00 C ATOM 361 NZ LYS A 23 12.996 7.581 -10.919 1.00 0.00 N ATOM 0 H LYS A 23 13.427 14.153 -11.139 1.00 0.00 H new ATOM 0 HA LYS A 23 11.880 12.663 -9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.313 12.303 -11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.899 10.998 -10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.586 11.924 -11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.906 11.348 -12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.829 9.816 -10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.270 9.544 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.482 8.807 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.205 9.309 -11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.605 6.862 -11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.172 7.604 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.999 7.343 -11.093 1.00 0.00 H new ATOM 375 N GLU A 24 15.028 12.989 -8.402 1.00 0.00 N ATOM 376 CA GLU A 24 15.980 12.953 -7.285 1.00 0.00 C ATOM 377 C GLU A 24 15.428 13.626 -6.024 1.00 0.00 C ATOM 378 O GLU A 24 15.521 13.044 -4.954 1.00 0.00 O ATOM 379 CB GLU A 24 17.316 13.553 -7.767 1.00 0.00 C ATOM 380 CG GLU A 24 18.421 13.737 -6.715 1.00 0.00 C ATOM 381 CD GLU A 24 18.475 15.177 -6.190 1.00 0.00 C ATOM 382 OE1 GLU A 24 18.791 16.112 -6.968 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.172 15.406 -4.998 1.00 0.00 O ATOM 0 H GLU A 24 15.474 13.234 -9.286 1.00 0.00 H new ATOM 0 HA GLU A 24 16.152 11.920 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.707 12.915 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.109 14.526 -8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.249 13.053 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.385 13.473 -7.150 1.00 0.00 H new ATOM 390 N LYS A 25 14.764 14.781 -6.145 1.00 0.00 N ATOM 391 CA LYS A 25 14.177 15.519 -5.011 1.00 0.00 C ATOM 392 C LYS A 25 12.930 14.905 -4.367 1.00 0.00 C ATOM 393 O LYS A 25 12.598 15.240 -3.236 1.00 0.00 O ATOM 394 CB LYS A 25 13.868 16.951 -5.486 1.00 0.00 C ATOM 395 CG LYS A 25 14.296 17.988 -4.443 1.00 0.00 C ATOM 396 CD LYS A 25 15.810 18.061 -4.175 1.00 0.00 C ATOM 397 CE LYS A 25 16.611 18.127 -5.480 1.00 0.00 C ATOM 398 NZ LYS A 25 18.061 18.031 -5.232 1.00 0.00 N ATOM 0 H LYS A 25 14.615 15.239 -7.044 1.00 0.00 H new ATOM 0 HA LYS A 25 14.923 15.484 -4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.384 17.144 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.800 17.049 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.953 18.970 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.787 17.767 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.031 18.938 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.121 17.189 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.300 17.317 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.391 19.061 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.568 18.011 -6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.374 18.854 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.266 17.160 -4.702 1.00 0.00 H new ATOM 412 N LEU A 26 12.226 14.051 -5.096 1.00 0.00 N ATOM 413 CA LEU A 26 11.038 13.311 -4.693 1.00 0.00 C ATOM 414 C LEU A 26 11.410 11.923 -4.144 1.00 0.00 C ATOM 415 O LEU A 26 10.969 11.532 -3.071 1.00 0.00 O ATOM 416 CB LEU A 26 10.095 13.262 -5.917 1.00 0.00 C ATOM 417 CG LEU A 26 8.623 13.493 -5.554 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.328 14.928 -5.107 1.00 0.00 C ATOM 419 CD2 LEU A 26 7.703 13.179 -6.736 1.00 0.00 C ATOM 0 H LEU A 26 12.491 13.841 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 26 10.520 13.804 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.407 14.017 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.194 12.293 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 26 8.430 12.818 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.269 15.023 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.924 15.164 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.580 15.619 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.667 13.353 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.958 13.824 -7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.828 12.136 -7.028 1.00 0.00 H new ATOM 431 N GLU A 27 12.278 11.204 -4.850 1.00 0.00 N ATOM 432 CA GLU A 27 12.946 9.979 -4.402 1.00 0.00 C ATOM 433 C GLU A 27 13.881 10.154 -3.191 1.00 0.00 C ATOM 434 O GLU A 27 13.982 9.234 -2.385 1.00 0.00 O ATOM 435 CB GLU A 27 13.680 9.390 -5.616 1.00 0.00 C ATOM 436 CG GLU A 27 12.770 8.339 -6.273 1.00 0.00 C ATOM 437 CD GLU A 27 12.979 8.099 -7.778 1.00 0.00 C ATOM 438 OE1 GLU A 27 13.810 8.759 -8.446 1.00 0.00 O ATOM 439 OE2 GLU A 27 12.274 7.234 -8.347 1.00 0.00 O ATOM 0 H GLU A 27 12.550 11.470 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 27 12.185 9.294 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.926 10.177 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.621 8.936 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.911 7.392 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.734 8.638 -6.115 1.00 0.00 H new ATOM 446 N HIS A 28 14.493 11.330 -3.010 1.00 0.00 N ATOM 447 CA HIS A 28 15.092 11.784 -1.743 1.00 0.00 C ATOM 448 C HIS A 28 14.076 11.734 -0.601 1.00 0.00 C ATOM 449 O HIS A 28 14.346 11.224 0.485 1.00 0.00 O ATOM 450 CB HIS A 28 15.581 13.239 -1.895 1.00 0.00 C ATOM 451 CG HIS A 28 15.869 13.949 -0.588 1.00 0.00 C ATOM 452 ND1 HIS A 28 15.014 14.770 0.124 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.021 13.841 0.139 1.00 0.00 C ATOM 454 CE1 HIS A 28 15.655 15.155 1.238 1.00 0.00 C ATOM 455 NE2 HIS A 28 16.890 14.628 1.287 1.00 0.00 N ATOM 0 H HIS A 28 14.590 12.014 -3.761 1.00 0.00 H new ATOM 0 HA HIS A 28 15.924 11.119 -1.509 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.486 13.242 -2.502 1.00 0.00 H new ATOM 0 HB3 HIS A 28 14.828 13.806 -2.443 1.00 0.00 H new ATOM 0 HD1 HIS A 28 14.067 15.035 -0.148 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.884 13.249 -0.127 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.235 15.802 1.994 1.00 0.00 H new ATOM 463 N GLU A 29 12.910 12.324 -0.852 1.00 0.00 N ATOM 464 CA GLU A 29 11.879 12.544 0.161 1.00 0.00 C ATOM 465 C GLU A 29 11.177 11.246 0.582 1.00 0.00 C ATOM 466 O GLU A 29 10.751 11.082 1.727 1.00 0.00 O ATOM 467 CB GLU A 29 10.824 13.479 -0.448 1.00 0.00 C ATOM 468 CG GLU A 29 10.227 14.484 0.537 1.00 0.00 C ATOM 469 CD GLU A 29 11.173 15.615 0.942 1.00 0.00 C ATOM 470 OE1 GLU A 29 12.394 15.539 0.698 1.00 0.00 O ATOM 471 OE2 GLU A 29 10.640 16.557 1.576 1.00 0.00 O ATOM 0 H GLU A 29 12.650 12.668 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 29 12.356 12.965 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.275 14.025 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.018 12.875 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.331 14.918 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.913 13.951 1.435 1.00 0.00 H new ATOM 478 N PHE A 30 11.001 10.353 -0.395 1.00 0.00 N ATOM 479 CA PHE A 30 10.136 9.171 -0.356 1.00 0.00 C ATOM 480 C PHE A 30 10.826 7.862 -0.808 1.00 0.00 C ATOM 481 O PHE A 30 10.217 7.102 -1.572 1.00 0.00 O ATOM 482 CB PHE A 30 8.907 9.463 -1.240 1.00 0.00 C ATOM 483 CG PHE A 30 8.236 10.800 -1.019 1.00 0.00 C ATOM 484 CD1 PHE A 30 7.863 11.185 0.274 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.053 11.690 -2.091 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.311 12.450 0.500 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.537 12.978 -1.861 1.00 0.00 C ATOM 488 CZ PHE A 30 7.149 13.353 -0.566 1.00 0.00 C ATOM 0 H PHE A 30 11.487 10.441 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 30 9.857 8.996 0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.212 9.400 -2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.170 8.677 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.002 10.503 1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.309 11.384 -3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.008 12.734 1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.440 13.676 -2.679 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.728 14.331 -0.388 1.00 0.00 H new ATOM 498 N PRO A 31 12.076 7.556 -0.407 1.00 0.00 N ATOM 499 CA PRO A 31 12.853 6.494 -1.033 1.00 0.00 C ATOM 500 C PRO A 31 12.196 5.132 -0.841 1.00 0.00 C ATOM 501 O PRO A 31 11.939 4.686 0.273 1.00 0.00 O ATOM 502 CB PRO A 31 14.247 6.540 -0.427 1.00 0.00 C ATOM 503 CG PRO A 31 14.029 7.244 0.914 1.00 0.00 C ATOM 504 CD PRO A 31 12.869 8.197 0.627 1.00 0.00 C ATOM 0 HA PRO A 31 12.907 6.646 -2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.660 5.540 -0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.943 7.090 -1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.781 6.536 1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.921 7.782 1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.275 8.371 1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.234 9.168 0.294 1.00 0.00 H new ATOM 512 N GLY A 32 11.879 4.499 -1.963 1.00 0.00 N ATOM 513 CA GLY A 32 11.046 3.296 -2.075 1.00 0.00 C ATOM 514 C GLY A 32 9.628 3.363 -1.491 1.00 0.00 C ATOM 515 O GLY A 32 8.850 2.438 -1.714 1.00 0.00 O ATOM 0 H GLY A 32 12.211 4.824 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.964 3.040 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.572 2.475 -1.588 1.00 0.00 H new ATOM 519 N CYS A 33 9.240 4.436 -0.795 1.00 0.00 N ATOM 520 CA CYS A 33 7.846 4.747 -0.487 1.00 0.00 C ATOM 521 C CYS A 33 7.056 5.165 -1.736 1.00 0.00 C ATOM 522 O CYS A 33 5.825 5.245 -1.699 1.00 0.00 O ATOM 523 CB CYS A 33 7.746 5.855 0.564 1.00 0.00 C ATOM 524 SG CYS A 33 8.744 5.491 2.035 1.00 0.00 S ATOM 0 H CYS A 33 9.898 5.122 -0.425 1.00 0.00 H new ATOM 0 HA CYS A 33 7.408 3.830 -0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.074 6.799 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.704 5.984 0.856 1.00 0.00 H new ATOM 0 HG CYS A 33 8.625 6.462 2.891 1.00 0.00 H new ATOM 530 N LEU A 34 7.764 5.436 -2.836 1.00 0.00 N ATOM 531 CA LEU A 34 7.258 5.881 -4.120 1.00 0.00 C ATOM 532 C LEU A 34 7.933 5.167 -5.292 1.00 0.00 C ATOM 533 O LEU A 34 9.077 4.725 -5.205 1.00 0.00 O ATOM 534 CB LEU A 34 7.514 7.396 -4.274 1.00 0.00 C ATOM 535 CG LEU A 34 6.212 8.191 -4.255 1.00 0.00 C ATOM 536 CD1 LEU A 34 5.715 8.587 -2.862 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.322 9.447 -5.112 1.00 0.00 C ATOM 0 H LEU A 34 8.779 5.340 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 34 6.193 5.650 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.162 7.740 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.041 7.583 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 34 5.474 7.502 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.785 9.148 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.541 7.689 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.465 9.206 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.379 9.993 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.122 10.080 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.543 9.167 -6.142 1.00 0.00 H new ATOM 549 N ASP A 35 7.221 5.178 -6.411 1.00 0.00 N ATOM 550 CA ASP A 35 7.722 5.101 -7.780 1.00 0.00 C ATOM 551 C ASP A 35 7.517 6.455 -8.452 1.00 0.00 C ATOM 552 O ASP A 35 6.455 7.064 -8.353 1.00 0.00 O ATOM 553 CB ASP A 35 6.878 4.063 -8.517 1.00 0.00 C ATOM 554 CG ASP A 35 6.790 4.177 -10.052 1.00 0.00 C ATOM 555 OD1 ASP A 35 7.820 4.351 -10.732 1.00 0.00 O ATOM 556 OD2 ASP A 35 5.648 4.132 -10.584 1.00 0.00 O ATOM 0 H ASP A 35 6.204 5.246 -6.385 1.00 0.00 H new ATOM 0 HA ASP A 35 8.779 4.834 -7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.272 3.076 -8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.865 4.108 -8.118 1.00 0.00 H new ATOM 561 N ILE A 36 8.495 6.864 -9.237 1.00 0.00 N ATOM 562 CA ILE A 36 8.341 7.847 -10.296 1.00 0.00 C ATOM 563 C ILE A 36 9.096 7.348 -11.526 1.00 0.00 C ATOM 564 O ILE A 36 10.314 7.138 -11.535 1.00 0.00 O ATOM 565 CB ILE A 36 8.892 9.224 -9.918 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.490 9.807 -8.551 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.597 10.276 -11.008 1.00 0.00 C ATOM 568 CD1 ILE A 36 9.685 9.756 -7.600 1.00 0.00 C ATOM 0 H ILE A 36 9.449 6.511 -9.154 1.00 0.00 H new ATOM 0 HA ILE A 36 7.274 7.962 -10.485 1.00 0.00 H new ATOM 0 HB ILE A 36 9.958 9.013 -9.832 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.150 10.836 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.656 9.242 -8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.004 11.240 -10.703 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.059 9.968 -11.946 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.519 10.364 -11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.398 10.169 -6.633 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.005 8.722 -7.472 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.506 10.341 -8.015 1.00 0.00 H new ATOM 580 N CYS A 37 8.347 7.279 -12.604 1.00 0.00 N ATOM 581 CA CYS A 37 8.790 7.095 -13.974 1.00 0.00 C ATOM 582 C CYS A 37 8.334 8.274 -14.839 1.00 0.00 C ATOM 583 O CYS A 37 7.681 9.206 -14.375 1.00 0.00 O ATOM 584 CB CYS A 37 8.236 5.762 -14.475 1.00 0.00 C ATOM 585 SG CYS A 37 9.085 4.375 -13.675 1.00 0.00 S ATOM 0 H CYS A 37 7.332 7.356 -12.544 1.00 0.00 H new ATOM 0 HA CYS A 37 9.878 7.068 -14.032 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.167 5.707 -14.271 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.358 5.695 -15.556 1.00 0.00 H new ATOM 0 HG CYS A 37 8.644 4.239 -12.459 1.00 0.00 H new ATOM 591 N GLY A 38 8.672 8.228 -16.122 1.00 0.00 N ATOM 592 CA GLY A 38 8.169 9.138 -17.145 1.00 0.00 C ATOM 593 C GLY A 38 8.314 8.548 -18.542 1.00 0.00 C ATOM 594 O GLY A 38 9.168 7.696 -18.776 1.00 0.00 O ATOM 0 H GLY A 38 9.324 7.535 -16.491 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.120 9.360 -16.951 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.710 10.082 -17.090 1.00 0.00 H new ATOM 598 N GLU A 39 7.478 9.013 -19.463 1.00 0.00 N ATOM 599 CA GLU A 39 7.177 8.416 -20.760 1.00 0.00 C ATOM 600 C GLU A 39 7.222 9.534 -21.802 1.00 0.00 C ATOM 601 O GLU A 39 6.239 10.187 -22.142 1.00 0.00 O ATOM 602 CB GLU A 39 5.814 7.728 -20.689 1.00 0.00 C ATOM 603 CG GLU A 39 5.859 6.484 -19.788 1.00 0.00 C ATOM 604 CD GLU A 39 4.477 5.848 -19.624 1.00 0.00 C ATOM 605 OE1 GLU A 39 3.753 6.303 -18.710 1.00 0.00 O ATOM 606 OE2 GLU A 39 4.180 4.901 -20.385 1.00 0.00 O ATOM 0 H GLU A 39 6.956 9.877 -19.313 1.00 0.00 H new ATOM 0 HA GLU A 39 7.903 7.653 -21.041 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.071 8.428 -20.308 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.497 7.441 -21.692 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.547 5.753 -20.213 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.251 6.759 -18.809 1.00 0.00 H new ATOM 613 N GLY A 40 8.448 9.813 -22.224 1.00 0.00 N ATOM 614 CA GLY A 40 8.855 10.965 -23.034 1.00 0.00 C ATOM 615 C GLY A 40 8.508 10.884 -24.526 1.00 0.00 C ATOM 616 O GLY A 40 9.312 11.325 -25.345 1.00 0.00 O ATOM 0 H GLY A 40 9.237 9.207 -21.999 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.390 11.860 -22.620 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.933 11.092 -22.937 1.00 0.00 H new ATOM 620 N THR A 41 7.367 10.298 -24.899 1.00 0.00 N ATOM 621 CA THR A 41 6.913 10.053 -26.284 1.00 0.00 C ATOM 622 C THR A 41 6.912 11.337 -27.144 1.00 0.00 C ATOM 623 O THR A 41 6.036 12.193 -26.992 1.00 0.00 O ATOM 624 CB THR A 41 5.520 9.431 -26.289 1.00 0.00 C ATOM 625 OG1 THR A 41 5.500 8.312 -25.433 1.00 0.00 O ATOM 626 CG2 THR A 41 5.075 8.946 -27.672 1.00 0.00 C ATOM 0 H THR A 41 6.694 9.961 -24.211 1.00 0.00 H new ATOM 0 HA THR A 41 7.627 9.360 -26.728 1.00 0.00 H new ATOM 0 HB THR A 41 4.840 10.217 -25.962 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.604 7.914 -25.436 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.076 8.515 -27.602 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.060 9.787 -28.365 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.772 8.190 -28.034 1.00 0.00 H new ATOM 634 N PRO A 42 7.890 11.524 -28.045 1.00 0.00 N ATOM 635 CA PRO A 42 8.228 12.824 -28.616 1.00 0.00 C ATOM 636 C PRO A 42 7.379 13.142 -29.858 1.00 0.00 C ATOM 637 O PRO A 42 7.865 13.067 -30.982 1.00 0.00 O ATOM 638 CB PRO A 42 9.736 12.725 -28.888 1.00 0.00 C ATOM 639 CG PRO A 42 9.930 11.254 -29.262 1.00 0.00 C ATOM 640 CD PRO A 42 8.873 10.528 -28.427 1.00 0.00 C ATOM 0 HA PRO A 42 8.006 13.660 -27.953 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.044 13.389 -29.696 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.322 12.998 -28.010 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.781 11.089 -30.329 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.936 10.909 -29.023 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.409 9.726 -29.002 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.323 10.070 -27.546 1.00 0.00 H new ATOM 648 N GLN A 43 6.102 13.503 -29.660 1.00 0.00 N ATOM 649 CA GLN A 43 5.148 13.682 -30.772 1.00 0.00 C ATOM 650 C GLN A 43 4.373 15.008 -30.842 1.00 0.00 C ATOM 651 O GLN A 43 3.924 15.344 -31.936 1.00 0.00 O ATOM 652 CB GLN A 43 4.174 12.486 -30.816 1.00 0.00 C ATOM 653 CG GLN A 43 4.570 11.457 -31.888 1.00 0.00 C ATOM 654 CD GLN A 43 4.239 11.846 -33.335 1.00 0.00 C ATOM 655 OE1 GLN A 43 4.161 11.000 -34.207 1.00 0.00 O ATOM 656 NE2 GLN A 43 4.024 13.096 -33.689 1.00 0.00 N ATOM 0 H GLN A 43 5.702 13.678 -28.738 1.00 0.00 H new ATOM 0 HA GLN A 43 5.784 13.726 -31.656 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.151 12.001 -29.840 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.165 12.848 -31.016 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.643 11.278 -31.815 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.073 10.514 -31.662 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.078 13.840 -32.993 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.803 13.321 -34.659 1.00 0.00 H new ATOM 665 N VAL A 44 4.203 15.769 -29.753 1.00 0.00 N ATOM 666 CA VAL A 44 3.425 17.028 -29.780 1.00 0.00 C ATOM 667 C VAL A 44 4.095 18.134 -28.967 1.00 0.00 C ATOM 668 O VAL A 44 3.963 18.181 -27.745 1.00 0.00 O ATOM 669 CB VAL A 44 1.954 16.839 -29.335 1.00 0.00 C ATOM 670 CG1 VAL A 44 1.160 18.134 -29.561 1.00 0.00 C ATOM 671 CG2 VAL A 44 1.234 15.733 -30.118 1.00 0.00 C ATOM 0 H VAL A 44 4.592 15.540 -28.838 1.00 0.00 H new ATOM 0 HA VAL A 44 3.407 17.338 -30.825 1.00 0.00 H new ATOM 0 HB VAL A 44 1.994 16.566 -28.280 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.127 17.988 -29.244 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.607 18.941 -28.980 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.181 18.394 -30.619 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.207 15.646 -29.763 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.231 15.981 -31.179 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.751 14.785 -29.968 1.00 0.00 H new ATOM 681 N THR A 45 4.777 19.048 -29.664 1.00 0.00 N ATOM 682 CA THR A 45 5.129 20.421 -29.252 1.00 0.00 C ATOM 683 C THR A 45 5.941 20.606 -27.961 1.00 0.00 C ATOM 684 O THR A 45 7.071 21.082 -28.023 1.00 0.00 O ATOM 685 CB THR A 45 3.861 21.295 -29.222 1.00 0.00 C ATOM 686 OG1 THR A 45 3.140 21.152 -30.422 1.00 0.00 O ATOM 687 CG2 THR A 45 4.152 22.787 -29.091 1.00 0.00 C ATOM 0 H THR A 45 5.125 18.838 -30.599 1.00 0.00 H new ATOM 0 HA THR A 45 5.834 20.741 -30.019 1.00 0.00 H new ATOM 0 HB THR A 45 3.305 20.952 -28.350 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.336 21.711 -30.389 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.213 23.341 -29.076 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.697 22.972 -28.165 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.754 23.116 -29.938 1.00 0.00 H new ATOM 695 N GLY A 46 5.353 20.360 -26.785 1.00 0.00 N ATOM 696 CA GLY A 46 5.847 20.888 -25.502 1.00 0.00 C ATOM 697 C GLY A 46 4.955 20.641 -24.276 1.00 0.00 C ATOM 698 O GLY A 46 5.009 21.413 -23.312 1.00 0.00 O ATOM 0 H GLY A 46 4.515 19.785 -26.693 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.826 20.451 -25.306 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.993 21.963 -25.608 1.00 0.00 H new ATOM 702 N PHE A 47 4.105 19.609 -24.306 1.00 0.00 N ATOM 703 CA PHE A 47 3.383 19.110 -23.123 1.00 0.00 C ATOM 704 C PHE A 47 4.350 18.468 -22.106 1.00 0.00 C ATOM 705 O PHE A 47 5.447 18.068 -22.475 1.00 0.00 O ATOM 706 CB PHE A 47 2.306 18.112 -23.578 1.00 0.00 C ATOM 707 CG PHE A 47 1.305 18.608 -24.616 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.007 19.981 -24.769 1.00 0.00 C ATOM 709 CD2 PHE A 47 0.654 17.669 -25.439 1.00 0.00 C ATOM 710 CE1 PHE A 47 0.101 20.404 -25.757 1.00 0.00 C ATOM 711 CE2 PHE A 47 -0.280 18.091 -26.401 1.00 0.00 C ATOM 712 CZ PHE A 47 -0.548 19.459 -26.569 1.00 0.00 C ATOM 0 H PHE A 47 3.895 19.090 -25.158 1.00 0.00 H new ATOM 0 HA PHE A 47 2.903 19.947 -22.616 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.807 17.232 -23.982 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.751 17.787 -22.698 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.477 20.708 -24.124 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.874 16.617 -25.330 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.096 21.457 -25.892 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.792 17.362 -27.012 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.252 19.784 -27.321 1.00 0.00 H new ATOM 722 N PHE A 48 3.966 18.388 -20.834 1.00 0.00 N ATOM 723 CA PHE A 48 4.756 17.897 -19.693 1.00 0.00 C ATOM 724 C PHE A 48 3.774 17.604 -18.552 1.00 0.00 C ATOM 725 O PHE A 48 3.430 18.491 -17.766 1.00 0.00 O ATOM 726 CB PHE A 48 5.830 18.921 -19.266 1.00 0.00 C ATOM 727 CG PHE A 48 6.945 18.357 -18.406 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.770 18.178 -17.020 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.191 18.068 -18.987 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.835 17.707 -16.229 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.252 17.589 -18.203 1.00 0.00 C ATOM 732 CZ PHE A 48 9.075 17.412 -16.821 1.00 0.00 C ATOM 0 H PHE A 48 3.033 18.683 -20.547 1.00 0.00 H new ATOM 0 HA PHE A 48 5.297 16.992 -19.969 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.269 19.360 -20.162 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.344 19.729 -18.720 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.817 18.402 -16.563 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.334 18.216 -20.047 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.699 17.572 -15.166 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.202 17.357 -18.661 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.891 17.049 -16.214 1.00 0.00 H new ATOM 742 N GLU A 49 3.210 16.403 -18.511 1.00 0.00 N ATOM 743 CA GLU A 49 1.959 16.128 -17.830 1.00 0.00 C ATOM 744 C GLU A 49 2.214 15.124 -16.696 1.00 0.00 C ATOM 745 O GLU A 49 2.650 14.002 -16.968 1.00 0.00 O ATOM 746 CB GLU A 49 0.979 15.614 -18.894 1.00 0.00 C ATOM 747 CG GLU A 49 0.904 16.413 -20.216 1.00 0.00 C ATOM 748 CD GLU A 49 0.441 17.868 -20.053 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.776 18.069 -19.836 1.00 0.00 O ATOM 750 OE2 GLU A 49 1.223 18.824 -20.270 1.00 0.00 O ATOM 0 H GLU A 49 3.619 15.582 -18.958 1.00 0.00 H new ATOM 0 HA GLU A 49 1.527 17.012 -17.361 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.247 14.585 -19.134 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.018 15.590 -18.454 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.888 16.408 -20.686 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.223 15.902 -20.897 1.00 0.00 H new ATOM 757 N VAL A 50 2.017 15.531 -15.429 1.00 0.00 N ATOM 758 CA VAL A 50 2.446 14.708 -14.279 1.00 0.00 C ATOM 759 C VAL A 50 1.241 14.078 -13.611 1.00 0.00 C ATOM 760 O VAL A 50 0.239 14.746 -13.338 1.00 0.00 O ATOM 761 CB VAL A 50 3.364 15.471 -13.292 1.00 0.00 C ATOM 762 CG1 VAL A 50 2.807 15.676 -11.873 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.698 14.751 -13.125 1.00 0.00 C ATOM 0 H VAL A 50 1.570 16.412 -15.175 1.00 0.00 H new ATOM 0 HA VAL A 50 3.073 13.902 -14.660 1.00 0.00 H new ATOM 0 HB VAL A 50 3.458 16.452 -13.758 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.535 16.221 -11.272 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.880 16.246 -11.925 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.611 14.706 -11.415 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.326 15.305 -12.427 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.524 13.747 -12.737 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.199 14.685 -14.091 1.00 0.00 H new ATOM 773 N THR A 51 1.337 12.780 -13.341 1.00 0.00 N ATOM 774 CA THR A 51 0.259 11.984 -12.738 1.00 0.00 C ATOM 775 C THR A 51 0.812 11.058 -11.670 1.00 0.00 C ATOM 776 O THR A 51 1.804 10.373 -11.896 1.00 0.00 O ATOM 777 CB THR A 51 -0.446 11.093 -13.770 1.00 0.00 C ATOM 778 OG1 THR A 51 -0.616 11.763 -14.993 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.819 10.597 -13.359 1.00 0.00 C ATOM 0 H THR A 51 2.178 12.237 -13.536 1.00 0.00 H new ATOM 0 HA THR A 51 -0.447 12.701 -12.319 1.00 0.00 H new ATOM 0 HB THR A 51 0.220 10.235 -13.856 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.066 11.170 -15.631 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.235 9.977 -14.153 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.735 10.009 -12.445 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.476 11.449 -13.183 1.00 0.00 H new ATOM 787 N VAL A 52 0.126 10.980 -10.535 1.00 0.00 N ATOM 788 CA VAL A 52 0.430 10.164 -9.351 1.00 0.00 C ATOM 789 C VAL A 52 -0.734 9.227 -9.063 1.00 0.00 C ATOM 790 O VAL A 52 -1.863 9.683 -8.922 1.00 0.00 O ATOM 791 CB VAL A 52 0.773 11.066 -8.142 1.00 0.00 C ATOM 792 CG1 VAL A 52 -0.197 12.228 -7.892 1.00 0.00 C ATOM 793 CG2 VAL A 52 0.865 10.259 -6.842 1.00 0.00 C ATOM 0 H VAL A 52 -0.725 11.526 -10.402 1.00 0.00 H new ATOM 0 HA VAL A 52 1.310 9.551 -9.545 1.00 0.00 H new ATOM 0 HB VAL A 52 1.736 11.493 -8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.133 12.797 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.218 12.879 -8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.197 11.834 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.108 10.927 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.091 9.773 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.644 9.503 -6.938 1.00 0.00 H new ATOM 803 N ALA A 53 -0.489 7.916 -9.053 1.00 0.00 N ATOM 804 CA ALA A 53 -1.492 6.850 -8.903 1.00 0.00 C ATOM 805 C ALA A 53 -2.806 7.073 -9.704 1.00 0.00 C ATOM 806 O ALA A 53 -3.900 6.748 -9.242 1.00 0.00 O ATOM 807 CB ALA A 53 -1.707 6.609 -7.402 1.00 0.00 C ATOM 0 H ALA A 53 0.457 7.547 -9.154 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.104 5.941 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.448 5.822 -7.262 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.765 6.307 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.061 7.527 -6.933 1.00 0.00 H new ATOM 813 N GLY A 54 -2.708 7.658 -10.907 1.00 0.00 N ATOM 814 CA GLY A 54 -3.866 7.982 -11.752 1.00 0.00 C ATOM 815 C GLY A 54 -4.577 9.295 -11.391 1.00 0.00 C ATOM 816 O GLY A 54 -5.793 9.400 -11.540 1.00 0.00 O ATOM 0 H GLY A 54 -1.815 7.922 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.537 8.036 -12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.585 7.166 -11.688 1.00 0.00 H new ATOM 820 N LYS A 55 -3.833 10.298 -10.909 1.00 0.00 N ATOM 821 CA LYS A 55 -4.298 11.643 -10.528 1.00 0.00 C ATOM 822 C LYS A 55 -3.365 12.698 -11.114 1.00 0.00 C ATOM 823 O LYS A 55 -2.208 12.783 -10.704 1.00 0.00 O ATOM 824 CB LYS A 55 -4.374 11.780 -9.004 1.00 0.00 C ATOM 825 CG LYS A 55 -5.190 10.705 -8.271 1.00 0.00 C ATOM 826 CD LYS A 55 -6.680 10.748 -8.633 1.00 0.00 C ATOM 827 CE LYS A 55 -7.350 9.447 -8.192 1.00 0.00 C ATOM 828 NZ LYS A 55 -8.667 9.289 -8.850 1.00 0.00 N ATOM 0 H LYS A 55 -2.829 10.189 -10.765 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.300 11.794 -10.930 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.359 11.771 -8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.800 12.755 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.789 9.721 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.077 10.839 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.159 11.599 -8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.800 10.885 -9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.710 8.600 -8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.476 9.446 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.107 8.400 -8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.281 10.088 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.539 9.269 -9.882 1.00 0.00 H new ATOM 842 N LEU A 56 -3.807 13.410 -12.151 1.00 0.00 N ATOM 843 CA LEU A 56 -3.029 14.508 -12.717 1.00 0.00 C ATOM 844 C LEU A 56 -2.938 15.646 -11.705 1.00 0.00 C ATOM 845 O LEU A 56 -3.934 16.044 -11.104 1.00 0.00 O ATOM 846 CB LEU A 56 -3.584 14.914 -14.090 1.00 0.00 C ATOM 847 CG LEU A 56 -2.817 16.067 -14.773 1.00 0.00 C ATOM 848 CD1 LEU A 56 -2.785 15.878 -16.293 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.454 17.427 -14.485 1.00 0.00 C ATOM 0 H LEU A 56 -4.700 13.245 -12.615 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.004 14.191 -12.910 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.568 14.044 -14.747 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.628 15.207 -13.974 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.807 16.045 -14.364 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.239 16.703 -16.751 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.289 14.937 -16.532 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.804 15.859 -16.679 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.883 18.209 -14.984 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.479 17.434 -14.855 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.455 17.608 -13.410 1.00 0.00 H new ATOM 861 N VAL A 57 -1.713 16.138 -11.542 1.00 0.00 N ATOM 862 CA VAL A 57 -1.388 17.260 -10.638 1.00 0.00 C ATOM 863 C VAL A 57 -0.796 18.442 -11.406 1.00 0.00 C ATOM 864 O VAL A 57 -0.855 19.576 -10.939 1.00 0.00 O ATOM 865 CB VAL A 57 -0.450 16.789 -9.505 1.00 0.00 C ATOM 866 CG1 VAL A 57 -0.020 17.904 -8.541 1.00 0.00 C ATOM 867 CG2 VAL A 57 -1.139 15.717 -8.650 1.00 0.00 C ATOM 0 H VAL A 57 -0.900 15.770 -12.037 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.315 17.609 -10.182 1.00 0.00 H new ATOM 0 HB VAL A 57 0.434 16.410 -10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.637 17.490 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.511 18.679 -9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.902 18.336 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.465 15.396 -7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.047 16.130 -8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.396 14.862 -9.276 1.00 0.00 H new ATOM 877 N HIS A 58 -0.255 18.179 -12.597 1.00 0.00 N ATOM 878 CA HIS A 58 0.490 19.148 -13.388 1.00 0.00 C ATOM 879 C HIS A 58 0.287 18.971 -14.893 1.00 0.00 C ATOM 880 O HIS A 58 -0.002 17.871 -15.373 1.00 0.00 O ATOM 881 CB HIS A 58 1.957 18.928 -13.067 1.00 0.00 C ATOM 882 CG HIS A 58 2.879 19.940 -13.683 1.00 0.00 C ATOM 883 ND1 HIS A 58 2.801 21.307 -13.547 1.00 0.00 N ATOM 884 CD2 HIS A 58 3.819 19.660 -14.640 1.00 0.00 C ATOM 885 CE1 HIS A 58 3.682 21.829 -14.414 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.328 20.874 -15.101 1.00 0.00 N ATOM 0 H HIS A 58 -0.327 17.265 -13.044 1.00 0.00 H new ATOM 0 HA HIS A 58 0.141 20.150 -13.140 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.087 18.945 -11.985 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.247 17.934 -13.407 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.192 21.823 -12.911 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.113 18.677 -14.977 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.851 22.888 -14.543 1.00 0.00 H new ATOM 894 N SER A 59 0.500 20.056 -15.636 1.00 0.00 N ATOM 895 CA SER A 59 0.279 20.128 -17.071 1.00 0.00 C ATOM 896 C SER A 59 0.980 21.337 -17.713 1.00 0.00 C ATOM 897 O SER A 59 0.521 22.482 -17.580 1.00 0.00 O ATOM 898 CB SER A 59 -1.218 20.331 -17.284 1.00 0.00 C ATOM 899 OG SER A 59 -1.586 20.183 -18.638 1.00 0.00 O ATOM 0 H SER A 59 0.841 20.932 -15.240 1.00 0.00 H new ATOM 0 HA SER A 59 0.671 19.216 -17.522 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.771 19.613 -16.678 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.501 21.325 -16.938 1.00 0.00 H new ATOM 0 HG SER A 59 -1.572 19.233 -18.879 1.00 0.00 H new ATOM 905 N LYS A 60 2.023 21.129 -18.520 1.00 0.00 N ATOM 906 CA LYS A 60 2.454 22.165 -19.468 1.00 0.00 C ATOM 907 C LYS A 60 1.380 22.522 -20.500 1.00 0.00 C ATOM 908 O LYS A 60 1.328 23.688 -20.891 1.00 0.00 O ATOM 909 CB LYS A 60 3.746 21.728 -20.160 1.00 0.00 C ATOM 910 CG LYS A 60 4.995 22.472 -19.668 1.00 0.00 C ATOM 911 CD LYS A 60 4.966 23.985 -19.923 1.00 0.00 C ATOM 912 CE LYS A 60 4.538 24.296 -21.363 1.00 0.00 C ATOM 913 NZ LYS A 60 4.594 25.744 -21.680 1.00 0.00 N ATOM 0 H LYS A 60 2.576 20.272 -18.539 1.00 0.00 H new ATOM 0 HA LYS A 60 2.633 23.073 -18.892 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.887 20.658 -20.004 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.642 21.883 -21.234 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.111 22.297 -18.598 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.873 22.049 -20.157 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.277 24.461 -19.225 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.953 24.407 -19.735 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.182 23.752 -22.054 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.522 23.933 -21.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.295 25.896 -22.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.959 26.264 -21.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.567 26.089 -21.557 1.00 0.00 H new ATOM 927 N LYS A 61 0.518 21.578 -20.903 1.00 0.00 N ATOM 928 CA LYS A 61 -0.623 21.794 -21.817 1.00 0.00 C ATOM 929 C LYS A 61 -1.587 22.863 -21.290 1.00 0.00 C ATOM 930 O LYS A 61 -1.951 23.770 -22.032 1.00 0.00 O ATOM 931 CB LYS A 61 -1.357 20.460 -22.044 1.00 0.00 C ATOM 932 CG LYS A 61 -2.441 20.533 -23.132 1.00 0.00 C ATOM 933 CD LYS A 61 -3.421 19.350 -23.102 1.00 0.00 C ATOM 934 CE LYS A 61 -2.759 17.964 -23.131 1.00 0.00 C ATOM 935 NZ LYS A 61 -2.551 17.406 -21.768 1.00 0.00 N ATOM 0 H LYS A 61 0.595 20.609 -20.594 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.234 22.162 -22.767 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.629 19.696 -22.318 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.815 20.142 -21.107 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.001 21.461 -23.014 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.961 20.572 -24.110 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.033 19.426 -22.203 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.095 19.433 -23.955 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.380 17.280 -23.710 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.799 18.034 -23.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.328 16.393 -21.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.763 17.903 -21.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.417 17.532 -21.206 1.00 0.00 H new ATOM 949 N ARG A 62 -1.996 22.754 -20.016 1.00 0.00 N ATOM 950 CA ARG A 62 -2.938 23.675 -19.353 1.00 0.00 C ATOM 951 C ARG A 62 -2.327 25.030 -18.995 1.00 0.00 C ATOM 952 O ARG A 62 -3.046 25.958 -18.627 1.00 0.00 O ATOM 953 CB ARG A 62 -3.580 22.962 -18.147 1.00 0.00 C ATOM 954 CG ARG A 62 -2.952 23.187 -16.760 1.00 0.00 C ATOM 955 CD ARG A 62 -3.595 24.325 -15.986 1.00 0.00 C ATOM 956 NE ARG A 62 -2.588 25.081 -15.229 1.00 0.00 N ATOM 957 CZ ARG A 62 -2.469 26.389 -15.140 1.00 0.00 C ATOM 958 NH1 ARG A 62 -2.972 27.191 -16.039 1.00 0.00 N ATOM 959 NH2 ARG A 62 -1.835 26.899 -14.126 1.00 0.00 N ATOM 0 H ARG A 62 -1.674 22.006 -19.402 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.721 23.928 -20.068 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.625 23.268 -18.095 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.571 21.891 -18.348 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.035 22.269 -16.178 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.888 23.394 -16.880 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.113 24.992 -16.675 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.345 23.927 -15.303 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.903 24.529 -14.713 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.475 26.808 -16.840 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.862 28.200 -15.941 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.438 26.287 -13.413 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.735 27.911 -14.044 1.00 0.00 H new ATOM 973 N GLY A 63 -1.002 25.134 -19.076 1.00 0.00 N ATOM 974 CA GLY A 63 -0.264 26.361 -18.817 1.00 0.00 C ATOM 975 C GLY A 63 0.208 26.467 -17.381 1.00 0.00 C ATOM 976 O GLY A 63 0.328 27.575 -16.867 1.00 0.00 O ATOM 0 H GLY A 63 -0.402 24.349 -19.329 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.598 26.409 -19.483 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.897 27.217 -19.051 1.00 0.00 H new ATOM 980 N ASP A 64 0.452 25.328 -16.725 1.00 0.00 N ATOM 981 CA ASP A 64 0.916 25.337 -15.339 1.00 0.00 C ATOM 982 C ASP A 64 2.349 25.862 -15.161 1.00 0.00 C ATOM 983 O ASP A 64 2.624 26.577 -14.196 1.00 0.00 O ATOM 984 CB ASP A 64 0.695 23.941 -14.752 1.00 0.00 C ATOM 985 CG ASP A 64 0.381 23.997 -13.263 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.636 24.672 -12.952 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.118 23.331 -12.506 1.00 0.00 O ATOM 0 H ASP A 64 0.337 24.398 -17.129 1.00 0.00 H new ATOM 0 HA ASP A 64 0.326 26.060 -14.776 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.124 23.451 -15.278 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.586 23.334 -14.913 1.00 0.00 H new ATOM 992 N GLY A 65 3.242 25.577 -16.119 1.00 0.00 N ATOM 993 CA GLY A 65 4.663 25.948 -16.042 1.00 0.00 C ATOM 994 C GLY A 65 5.443 25.153 -14.984 1.00 0.00 C ATOM 995 O GLY A 65 4.893 24.709 -13.978 1.00 0.00 O ATOM 0 H GLY A 65 2.998 25.079 -16.975 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.125 25.792 -17.017 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.742 27.012 -15.818 1.00 0.00 H new ATOM 999 N TYR A 66 6.740 24.974 -15.218 1.00 0.00 N ATOM 1000 CA TYR A 66 7.648 24.177 -14.394 1.00 0.00 C ATOM 1001 C TYR A 66 7.806 24.712 -12.958 1.00 0.00 C ATOM 1002 O TYR A 66 7.042 25.562 -12.500 1.00 0.00 O ATOM 1003 CB TYR A 66 8.996 24.089 -15.122 1.00 0.00 C ATOM 1004 CG TYR A 66 8.960 23.524 -16.532 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.262 22.330 -16.806 1.00 0.00 C ATOM 1006 CD2 TYR A 66 9.681 24.167 -17.559 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.274 21.788 -18.103 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.706 23.623 -18.857 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.990 22.437 -19.126 1.00 0.00 C ATOM 1010 OH TYR A 66 9.011 21.892 -20.368 1.00 0.00 O ATOM 0 H TYR A 66 7.208 25.397 -16.020 1.00 0.00 H new ATOM 0 HA TYR A 66 7.219 23.183 -14.268 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.429 25.089 -15.164 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.669 23.475 -14.524 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.717 21.831 -16.018 1.00 0.00 H new ATOM 0 HD2 TYR A 66 10.217 25.081 -17.349 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.735 20.876 -18.314 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.268 24.109 -19.640 1.00 0.00 H new ATOM 0 HH TYR A 66 9.356 22.549 -21.008 1.00 0.00 H new ATOM 1020 N VAL A 67 8.772 24.184 -12.193 1.00 0.00 N ATOM 1021 CA VAL A 67 9.051 24.675 -10.833 1.00 0.00 C ATOM 1022 C VAL A 67 9.831 25.987 -10.827 1.00 0.00 C ATOM 1023 O VAL A 67 10.958 26.130 -10.369 1.00 0.00 O ATOM 1024 CB VAL A 67 9.634 23.647 -9.886 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.582 22.573 -9.575 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.903 22.942 -10.380 1.00 0.00 C ATOM 0 H VAL A 67 9.374 23.417 -12.492 1.00 0.00 H new ATOM 0 HA VAL A 67 8.064 24.888 -10.422 1.00 0.00 H new ATOM 0 HB VAL A 67 9.922 24.217 -9.003 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.006 21.835 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.713 23.039 -9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.280 22.081 -10.500 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.238 22.227 -9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.689 22.417 -11.311 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.686 23.681 -10.552 1.00 0.00 H new ATOM 1036 N ASP A 68 9.101 26.968 -11.311 1.00 0.00 N ATOM 1037 CA ASP A 68 9.401 28.372 -11.507 1.00 0.00 C ATOM 1038 C ASP A 68 9.580 29.113 -10.172 1.00 0.00 C ATOM 1039 O ASP A 68 10.038 30.253 -10.117 1.00 0.00 O ATOM 1040 CB ASP A 68 8.216 28.969 -12.257 1.00 0.00 C ATOM 1041 CG ASP A 68 7.860 28.347 -13.626 1.00 0.00 C ATOM 1042 OD1 ASP A 68 8.734 27.764 -14.307 1.00 0.00 O ATOM 1043 OD2 ASP A 68 6.648 28.397 -13.948 1.00 0.00 O ATOM 0 H ASP A 68 8.149 26.771 -11.620 1.00 0.00 H new ATOM 0 HA ASP A 68 10.336 28.475 -12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.338 28.896 -11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.413 30.030 -12.409 1.00 0.00 H new ATOM 1048 N THR A 69 9.157 28.490 -9.067 1.00 0.00 N ATOM 1049 CA THR A 69 9.400 28.974 -7.708 1.00 0.00 C ATOM 1050 C THR A 69 9.347 27.828 -6.701 1.00 0.00 C ATOM 1051 O THR A 69 8.713 26.796 -6.933 1.00 0.00 O ATOM 1052 CB THR A 69 8.357 30.023 -7.285 1.00 0.00 C ATOM 1053 OG1 THR A 69 7.699 30.634 -8.370 1.00 0.00 O ATOM 1054 CG2 THR A 69 8.965 31.162 -6.472 1.00 0.00 C ATOM 0 H THR A 69 8.627 27.619 -9.095 1.00 0.00 H new ATOM 0 HA THR A 69 10.392 29.425 -7.714 1.00 0.00 H new ATOM 0 HB THR A 69 7.650 29.444 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.050 31.287 -8.034 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.184 31.872 -6.201 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.421 30.760 -5.567 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.725 31.668 -7.067 1.00 0.00 H new ATOM 1062 N GLU A 70 9.875 28.091 -5.509 1.00 0.00 N ATOM 1063 CA GLU A 70 9.776 27.211 -4.334 1.00 0.00 C ATOM 1064 C GLU A 70 8.330 26.834 -4.012 1.00 0.00 C ATOM 1065 O GLU A 70 7.997 25.671 -3.809 1.00 0.00 O ATOM 1066 CB GLU A 70 10.406 27.914 -3.116 1.00 0.00 C ATOM 1067 CG GLU A 70 11.939 27.832 -3.087 1.00 0.00 C ATOM 1068 CD GLU A 70 12.456 26.434 -2.705 1.00 0.00 C ATOM 1069 OE1 GLU A 70 11.648 25.479 -2.738 1.00 0.00 O ATOM 1070 OE2 GLU A 70 13.661 26.327 -2.397 1.00 0.00 O ATOM 0 H GLU A 70 10.400 28.945 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 70 10.312 26.290 -4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.106 28.962 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.009 27.469 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.331 28.104 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.324 28.563 -2.376 1.00 0.00 H new ATOM 1077 N SER A 71 7.419 27.806 -4.060 1.00 0.00 N ATOM 1078 CA SER A 71 5.997 27.540 -3.800 1.00 0.00 C ATOM 1079 C SER A 71 5.366 26.604 -4.834 1.00 0.00 C ATOM 1080 O SER A 71 4.468 25.826 -4.505 1.00 0.00 O ATOM 1081 CB SER A 71 5.220 28.855 -3.753 1.00 0.00 C ATOM 1082 OG SER A 71 4.181 28.777 -2.795 1.00 0.00 O ATOM 0 H SER A 71 7.634 28.780 -4.275 1.00 0.00 H new ATOM 0 HA SER A 71 5.942 27.035 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.894 29.675 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.802 29.074 -4.736 1.00 0.00 H new ATOM 0 HG SER A 71 3.692 29.626 -2.773 1.00 0.00 H new ATOM 1088 N LYS A 72 5.871 26.636 -6.078 1.00 0.00 N ATOM 1089 CA LYS A 72 5.498 25.682 -7.126 1.00 0.00 C ATOM 1090 C LYS A 72 5.991 24.278 -6.780 1.00 0.00 C ATOM 1091 O LYS A 72 5.194 23.350 -6.718 1.00 0.00 O ATOM 1092 CB LYS A 72 5.975 26.134 -8.517 1.00 0.00 C ATOM 1093 CG LYS A 72 5.139 25.468 -9.632 1.00 0.00 C ATOM 1094 CD LYS A 72 4.056 26.395 -10.210 1.00 0.00 C ATOM 1095 CE LYS A 72 4.661 27.519 -11.066 1.00 0.00 C ATOM 1096 NZ LYS A 72 4.771 27.128 -12.490 1.00 0.00 N ATOM 0 H LYS A 72 6.553 27.330 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 72 4.409 25.650 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.897 27.218 -8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.027 25.880 -8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.804 25.150 -10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.666 24.570 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.363 25.811 -10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.478 26.830 -9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.043 28.413 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.648 27.776 -10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.245 27.885 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.325 26.251 -12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.820 26.972 -12.882 1.00 0.00 H new ATOM 1110 N PHE A 73 7.281 24.129 -6.476 1.00 0.00 N ATOM 1111 CA PHE A 73 7.859 22.834 -6.091 1.00 0.00 C ATOM 1112 C PHE A 73 7.183 22.239 -4.845 1.00 0.00 C ATOM 1113 O PHE A 73 6.769 21.077 -4.836 1.00 0.00 O ATOM 1114 CB PHE A 73 9.375 22.984 -5.899 1.00 0.00 C ATOM 1115 CG PHE A 73 10.061 21.716 -5.423 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.837 20.488 -6.081 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.893 21.759 -4.287 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.408 19.305 -5.582 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.469 20.575 -3.794 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.210 19.348 -4.430 1.00 0.00 C ATOM 0 H PHE A 73 7.954 24.896 -6.488 1.00 0.00 H new ATOM 0 HA PHE A 73 7.674 22.125 -6.898 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.822 23.295 -6.843 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.564 23.780 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.225 20.457 -6.970 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.088 22.701 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.231 18.365 -6.083 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.111 20.608 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.629 18.436 -4.031 1.00 0.00 H new ATOM 1130 N ARG A 74 6.979 23.062 -3.814 1.00 0.00 N ATOM 1131 CA ARG A 74 6.333 22.708 -2.548 1.00 0.00 C ATOM 1132 C ARG A 74 4.930 22.157 -2.732 1.00 0.00 C ATOM 1133 O ARG A 74 4.524 21.320 -1.930 1.00 0.00 O ATOM 1134 CB ARG A 74 6.327 23.921 -1.598 1.00 0.00 C ATOM 1135 CG ARG A 74 5.710 23.527 -0.246 1.00 0.00 C ATOM 1136 CD ARG A 74 5.816 24.613 0.815 1.00 0.00 C ATOM 1137 NE ARG A 74 4.877 24.340 1.926 1.00 0.00 N ATOM 1138 CZ ARG A 74 4.507 25.221 2.834 1.00 0.00 C ATOM 1139 NH1 ARG A 74 5.046 26.404 2.869 1.00 0.00 N ATOM 1140 NH2 ARG A 74 3.591 24.953 3.718 1.00 0.00 N ATOM 0 H ARG A 74 7.273 24.038 -3.840 1.00 0.00 H new ATOM 0 HA ARG A 74 6.920 21.905 -2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.344 24.283 -1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.759 24.738 -2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.659 23.278 -0.395 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.202 22.626 0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.836 24.660 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.595 25.585 0.374 1.00 0.00 H new ATOM 0 HE ARG A 74 4.487 23.400 1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.763 26.658 2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.752 27.078 3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.137 24.040 3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.327 25.656 4.408 1.00 0.00 H new ATOM 1154 N LYS A 75 4.202 22.560 -3.774 1.00 0.00 N ATOM 1155 CA LYS A 75 2.905 21.998 -4.157 1.00 0.00 C ATOM 1156 C LYS A 75 2.992 20.487 -4.311 1.00 0.00 C ATOM 1157 O LYS A 75 2.190 19.750 -3.740 1.00 0.00 O ATOM 1158 CB LYS A 75 2.467 22.638 -5.489 1.00 0.00 C ATOM 1159 CG LYS A 75 0.963 22.526 -5.748 1.00 0.00 C ATOM 1160 CD LYS A 75 0.239 23.621 -4.966 1.00 0.00 C ATOM 1161 CE LYS A 75 -1.267 23.548 -5.241 1.00 0.00 C ATOM 1162 NZ LYS A 75 -1.999 24.638 -4.551 1.00 0.00 N ATOM 0 H LYS A 75 4.508 23.310 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 75 2.175 22.213 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.751 23.690 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.006 22.162 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.756 22.625 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.601 21.544 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.429 23.504 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.623 24.600 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.445 23.611 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.652 22.583 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.015 24.559 -4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.848 24.562 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.648 25.558 -4.886 1.00 0.00 H new ATOM 1176 N LEU A 76 4.025 20.045 -5.020 1.00 0.00 N ATOM 1177 CA LEU A 76 4.267 18.625 -5.268 1.00 0.00 C ATOM 1178 C LEU A 76 4.768 17.939 -4.013 1.00 0.00 C ATOM 1179 O LEU A 76 4.216 16.927 -3.590 1.00 0.00 O ATOM 1180 CB LEU A 76 5.261 18.473 -6.441 1.00 0.00 C ATOM 1181 CG LEU A 76 5.313 17.059 -7.052 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.075 16.780 -7.909 1.00 0.00 C ATOM 1183 CD2 LEU A 76 6.546 16.903 -7.948 1.00 0.00 C ATOM 0 H LEU A 76 4.721 20.661 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 76 3.332 18.138 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.993 19.184 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.258 18.742 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 76 5.355 16.355 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.140 15.775 -8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.180 16.859 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.022 17.507 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.564 15.898 -8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.504 17.635 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.448 17.065 -7.358 1.00 0.00 H new ATOM 1195 N VAL A 77 5.772 18.535 -3.376 1.00 0.00 N ATOM 1196 CA VAL A 77 6.353 17.944 -2.161 1.00 0.00 C ATOM 1197 C VAL A 77 5.295 17.753 -1.088 1.00 0.00 C ATOM 1198 O VAL A 77 5.219 16.696 -0.473 1.00 0.00 O ATOM 1199 CB VAL A 77 7.532 18.766 -1.609 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.120 18.153 -0.332 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.661 18.852 -2.631 1.00 0.00 C ATOM 0 H VAL A 77 6.199 19.413 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 77 6.745 16.969 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 77 7.129 19.754 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.948 18.768 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.350 18.108 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.480 17.146 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.482 19.438 -2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.014 17.848 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.294 19.331 -3.539 1.00 0.00 H new ATOM 1211 N THR A 78 4.425 18.743 -0.914 1.00 0.00 N ATOM 1212 CA THR A 78 3.332 18.669 0.047 1.00 0.00 C ATOM 1213 C THR A 78 2.341 17.584 -0.310 1.00 0.00 C ATOM 1214 O THR A 78 1.963 16.813 0.570 1.00 0.00 O ATOM 1215 CB THR A 78 2.620 20.024 0.225 1.00 0.00 C ATOM 1216 OG1 THR A 78 3.556 21.027 0.559 1.00 0.00 O ATOM 1217 CG2 THR A 78 1.576 20.017 1.340 1.00 0.00 C ATOM 0 H THR A 78 4.459 19.619 -1.436 1.00 0.00 H new ATOM 0 HA THR A 78 3.783 18.408 1.004 1.00 0.00 H new ATOM 0 HB THR A 78 2.126 20.218 -0.727 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.092 21.250 -0.230 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.113 21.001 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.812 19.272 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.057 19.773 2.287 1.00 0.00 H new ATOM 1225 N ALA A 79 1.968 17.474 -1.585 1.00 0.00 N ATOM 1226 CA ALA A 79 0.906 16.541 -1.952 1.00 0.00 C ATOM 1227 C ALA A 79 1.370 15.089 -1.949 1.00 0.00 C ATOM 1228 O ALA A 79 0.623 14.180 -1.585 1.00 0.00 O ATOM 1229 CB ALA A 79 0.315 16.958 -3.303 1.00 0.00 C ATOM 0 H ALA A 79 2.371 18.002 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 79 0.126 16.591 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.479 16.265 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.094 17.966 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.096 16.940 -4.063 1.00 0.00 H new ATOM 1235 N ILE A 80 2.643 14.884 -2.268 1.00 0.00 N ATOM 1236 CA ILE A 80 3.194 13.539 -2.356 1.00 0.00 C ATOM 1237 C ILE A 80 3.596 13.061 -0.954 1.00 0.00 C ATOM 1238 O ILE A 80 3.469 11.875 -0.664 1.00 0.00 O ATOM 1239 CB ILE A 80 4.331 13.513 -3.393 1.00 0.00 C ATOM 1240 CG1 ILE A 80 3.891 13.971 -4.810 1.00 0.00 C ATOM 1241 CG2 ILE A 80 4.930 12.106 -3.492 1.00 0.00 C ATOM 1242 CD1 ILE A 80 2.896 13.069 -5.547 1.00 0.00 C ATOM 0 H ILE A 80 3.310 15.629 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 80 2.450 12.827 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 80 5.074 14.226 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.451 14.965 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.783 14.069 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.733 12.103 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.328 11.811 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.156 11.402 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.669 13.498 -6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.331 12.078 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.978 12.988 -4.965 1.00 0.00 H new ATOM 1254 N LYS A 81 3.934 13.981 -0.033 1.00 0.00 N ATOM 1255 CA LYS A 81 4.247 13.650 1.375 1.00 0.00 C ATOM 1256 C LYS A 81 2.991 13.299 2.152 1.00 0.00 C ATOM 1257 O LYS A 81 3.002 12.392 2.976 1.00 0.00 O ATOM 1258 CB LYS A 81 4.952 14.837 2.049 1.00 0.00 C ATOM 1259 CG LYS A 81 5.695 14.472 3.351 1.00 0.00 C ATOM 1260 CD LYS A 81 7.165 14.932 3.392 1.00 0.00 C ATOM 1261 CE LYS A 81 7.335 16.446 3.222 1.00 0.00 C ATOM 1262 NZ LYS A 81 8.757 16.839 3.373 1.00 0.00 N ATOM 0 H LYS A 81 3.999 14.977 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 81 4.905 12.781 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.664 15.270 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.213 15.607 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.164 14.914 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.661 13.391 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.606 14.629 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.720 14.421 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.972 16.749 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.728 16.969 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.832 17.876 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.127 16.465 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.310 16.451 2.582 1.00 0.00 H new ATOM 1276 N ALA A 82 1.902 13.993 1.840 1.00 0.00 N ATOM 1277 CA ALA A 82 0.562 13.621 2.291 1.00 0.00 C ATOM 1278 C ALA A 82 0.184 12.213 1.801 1.00 0.00 C ATOM 1279 O ALA A 82 -0.159 11.346 2.604 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.443 14.691 1.846 1.00 0.00 C ATOM 0 H ALA A 82 1.922 14.835 1.264 1.00 0.00 H new ATOM 0 HA ALA A 82 0.543 13.578 3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.442 14.414 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.168 15.652 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.434 14.768 0.759 1.00 0.00 H new ATOM 1286 N ALA A 83 0.301 11.952 0.494 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.015 10.639 -0.072 1.00 0.00 C ATOM 1288 C ALA A 83 0.917 9.508 0.406 1.00 0.00 C ATOM 1289 O ALA A 83 0.506 8.347 0.458 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.055 10.759 -1.595 1.00 0.00 C ATOM 0 H ALA A 83 0.614 12.638 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.996 10.341 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.289 9.788 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.820 11.480 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.916 11.095 -1.959 1.00 0.00 H new ATOM 1296 N LEU A 84 2.127 9.855 0.850 1.00 0.00 N ATOM 1297 CA LEU A 84 3.051 8.943 1.536 1.00 0.00 C ATOM 1298 C LEU A 84 2.412 8.432 2.831 1.00 0.00 C ATOM 1299 O LEU A 84 2.188 7.233 2.993 1.00 0.00 O ATOM 1300 CB LEU A 84 4.383 9.666 1.821 1.00 0.00 C ATOM 1301 CG LEU A 84 5.622 8.826 2.181 1.00 0.00 C ATOM 1302 CD1 LEU A 84 6.506 9.609 3.154 1.00 0.00 C ATOM 1303 CD2 LEU A 84 5.365 7.457 2.822 1.00 0.00 C ATOM 0 H LEU A 84 2.502 10.797 0.741 1.00 0.00 H new ATOM 0 HA LEU A 84 3.258 8.085 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.631 10.259 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.210 10.366 2.639 1.00 0.00 H new ATOM 0 HG LEU A 84 6.087 8.632 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.383 9.014 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.823 10.542 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.942 9.830 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.317 6.967 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.817 7.589 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.778 6.841 2.141 1.00 0.00 H new ATOM 1315 N ALA A 85 2.067 9.350 3.734 1.00 0.00 N ATOM 1316 CA ALA A 85 1.463 9.022 5.029 1.00 0.00 C ATOM 1317 C ALA A 85 0.120 8.269 4.921 1.00 0.00 C ATOM 1318 O ALA A 85 -0.286 7.570 5.845 1.00 0.00 O ATOM 1319 CB ALA A 85 1.334 10.315 5.838 1.00 0.00 C ATOM 0 H ALA A 85 2.199 10.351 3.588 1.00 0.00 H new ATOM 0 HA ALA A 85 2.119 8.320 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.886 10.095 6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.322 10.752 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.702 11.020 5.298 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.541 8.366 3.768 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.782 7.654 3.454 1.00 0.00 C ATOM 1327 C GLN A 86 -1.509 6.235 2.940 1.00 0.00 C ATOM 1328 O GLN A 86 -2.131 5.264 3.362 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.609 8.514 2.485 1.00 0.00 C ATOM 1330 CG GLN A 86 -4.074 8.068 2.399 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.922 9.116 1.682 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -5.290 10.138 2.228 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.248 8.934 0.422 1.00 0.00 N ATOM 0 H GLN A 86 -0.219 8.959 3.003 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.370 7.509 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.569 9.555 2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.161 8.468 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.138 7.118 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.467 7.901 3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.954 8.087 -0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.795 9.640 -0.070 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.505 6.099 2.080 1.00 0.00 N ATOM 1343 CA CYS A 87 0.056 4.827 1.626 1.00 0.00 C ATOM 1344 C CYS A 87 0.670 4.008 2.770 1.00 0.00 C ATOM 1345 O CYS A 87 0.704 2.784 2.702 1.00 0.00 O ATOM 1346 CB CYS A 87 1.114 5.136 0.566 1.00 0.00 C ATOM 1347 SG CYS A 87 1.497 3.647 -0.401 1.00 0.00 S ATOM 0 H CYS A 87 -0.039 6.904 1.662 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.748 4.216 1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.755 5.924 -0.096 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.019 5.509 1.045 1.00 0.00 H new ATOM 0 HG CYS A 87 1.372 2.596 0.353 1.00 0.00 H new ATOM 1353 N GLN A 88 1.170 4.663 3.817 1.00 0.00 N ATOM 1354 CA GLN A 88 1.678 3.991 5.023 1.00 0.00 C ATOM 1355 C GLN A 88 0.596 3.182 5.775 1.00 0.00 C ATOM 1356 O GLN A 88 0.932 2.222 6.466 1.00 0.00 O ATOM 1357 CB GLN A 88 2.383 5.017 5.930 1.00 0.00 C ATOM 1358 CG GLN A 88 3.121 4.338 7.101 1.00 0.00 C ATOM 1359 CD GLN A 88 4.048 5.265 7.884 1.00 0.00 C ATOM 1360 OE1 GLN A 88 4.119 6.465 7.691 1.00 0.00 O ATOM 1361 NE2 GLN A 88 4.827 4.739 8.805 1.00 0.00 N ATOM 0 H GLN A 88 1.237 5.680 3.857 1.00 0.00 H new ATOM 0 HA GLN A 88 2.408 3.246 4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.094 5.595 5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.648 5.720 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.383 3.919 7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.705 3.504 6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.792 3.737 8.991 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.466 5.334 9.333 1.00 0.00 H new TER 1370 GLN A 88