USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 624 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 20 GLN :FLIP amide:sc= -3.44! C(o=-36!,f=-35!) USER MOD Set 1.2: A 21 ASN : amide:sc= -14.8! C(o=-35!,f=-38!) USER MOD Set 1.3: B 20 GLN :FLIP amide:sc= -5.42! C(o=-36!,f=-35!) USER MOD Set 1.4: B 21 ASN : amide:sc= -11.6! C(o=-35!,f=-41!) USER MOD Single : A 1 GLY N :NH3+ -177:sc= -9.1! (180deg=-9.41!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 57:sc= 0.848 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 92:sc= 0.332 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.63) USER MOD Single : A 26 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.74) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc=-0.00435 (180deg=-0.167) USER MOD Single : A 33 LYS NZ :NH3+ -136:sc= -0.43 (180deg=-2.35!) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= -0.452 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= -0.71! X(o=-0.71!,f=-1) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.382 -2.901 -13.359 1.00 0.00 N ATOM 2 CA GLY A 1 15.130 -2.901 -14.604 1.00 0.00 C ATOM 3 C GLY A 1 15.411 -4.329 -15.075 1.00 0.00 C ATOM 4 O GLY A 1 15.869 -5.165 -14.297 1.00 0.00 O ATOM 0 H1 GLY A 1 14.160 -1.922 -13.087 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.498 -3.434 -13.485 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.952 -3.347 -12.612 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.569 -2.366 -15.370 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.071 -2.368 -14.467 1.00 0.00 H new ATOM 8 N ALA A 2 15.125 -4.566 -16.347 1.00 0.00 N ATOM 9 CA ALA A 2 15.341 -5.879 -16.931 1.00 0.00 C ATOM 10 C ALA A 2 14.563 -6.924 -16.128 1.00 0.00 C ATOM 11 O ALA A 2 14.070 -6.634 -15.039 1.00 0.00 O ATOM 12 CB ALA A 2 16.841 -6.177 -16.977 1.00 0.00 C ATOM 0 H ALA A 2 14.745 -3.871 -16.990 1.00 0.00 H new ATOM 0 HA ALA A 2 14.971 -5.909 -17.956 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.003 -7.162 -17.415 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.343 -5.423 -17.583 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.247 -6.159 -15.966 1.00 0.00 H new ATOM 18 N GLY A 3 14.479 -8.118 -16.696 1.00 0.00 N ATOM 19 CA GLY A 3 13.770 -9.207 -16.047 1.00 0.00 C ATOM 20 C GLY A 3 13.053 -10.085 -17.075 1.00 0.00 C ATOM 21 O GLY A 3 13.676 -10.927 -17.719 1.00 0.00 O ATOM 0 H GLY A 3 14.890 -8.355 -17.599 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.472 -9.812 -15.474 1.00 0.00 H new ATOM 0 HA3 GLY A 3 13.045 -8.803 -15.340 1.00 0.00 H new ATOM 25 N SER A 4 11.753 -9.858 -17.195 1.00 0.00 N ATOM 26 CA SER A 4 10.945 -10.617 -18.134 1.00 0.00 C ATOM 27 C SER A 4 10.475 -11.921 -17.485 1.00 0.00 C ATOM 28 O SER A 4 10.976 -12.996 -17.810 1.00 0.00 O ATOM 29 CB SER A 4 11.724 -10.914 -19.417 1.00 0.00 C ATOM 30 OG SER A 4 10.886 -10.885 -20.569 1.00 0.00 O ATOM 0 H SER A 4 11.240 -9.159 -16.658 1.00 0.00 H new ATOM 0 HA SER A 4 10.075 -10.016 -18.400 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.524 -10.183 -19.532 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.196 -11.893 -19.336 1.00 0.00 H new ATOM 0 HG SER A 4 11.421 -11.078 -21.367 1.00 0.00 H new ATOM 36 N SER A 5 9.519 -11.782 -16.578 1.00 0.00 N ATOM 37 CA SER A 5 8.976 -12.935 -15.881 1.00 0.00 C ATOM 38 C SER A 5 7.909 -12.487 -14.880 1.00 0.00 C ATOM 39 O SER A 5 8.228 -11.891 -13.852 1.00 0.00 O ATOM 40 CB SER A 5 10.080 -13.716 -15.165 1.00 0.00 C ATOM 41 OG SER A 5 10.495 -14.858 -15.909 1.00 0.00 O ATOM 0 H SER A 5 9.107 -10.888 -16.310 1.00 0.00 H new ATOM 0 HA SER A 5 8.519 -13.596 -16.618 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.936 -13.062 -14.997 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.723 -14.032 -14.185 1.00 0.00 H new ATOM 0 HG SER A 5 10.791 -14.578 -16.800 1.00 0.00 H new ATOM 47 N SER A 6 6.664 -12.790 -15.216 1.00 0.00 N ATOM 48 CA SER A 6 5.548 -12.426 -14.359 1.00 0.00 C ATOM 49 C SER A 6 5.453 -10.903 -14.243 1.00 0.00 C ATOM 50 O SER A 6 4.758 -10.386 -13.370 1.00 0.00 O ATOM 51 CB SER A 6 5.689 -13.056 -12.972 1.00 0.00 C ATOM 52 OG SER A 6 4.762 -14.119 -12.772 1.00 0.00 O ATOM 0 H SER A 6 6.403 -13.283 -16.070 1.00 0.00 H new ATOM 0 HA SER A 6 4.632 -12.808 -14.810 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.704 -13.432 -12.846 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.535 -12.292 -12.210 1.00 0.00 H new ATOM 0 HG SER A 6 4.885 -14.496 -11.876 1.00 0.00 H new ATOM 58 N LEU A 7 6.161 -10.228 -15.137 1.00 0.00 N ATOM 59 CA LEU A 7 6.165 -8.775 -15.146 1.00 0.00 C ATOM 60 C LEU A 7 4.729 -8.265 -15.001 1.00 0.00 C ATOM 61 O LEU A 7 4.502 -7.189 -14.450 1.00 0.00 O ATOM 62 CB LEU A 7 6.882 -8.249 -16.391 1.00 0.00 C ATOM 63 CG LEU A 7 6.874 -6.731 -16.578 1.00 0.00 C ATOM 64 CD1 LEU A 7 8.062 -6.084 -15.862 1.00 0.00 C ATOM 65 CD2 LEU A 7 6.829 -6.361 -18.062 1.00 0.00 C ATOM 0 H LEU A 7 6.736 -10.661 -15.860 1.00 0.00 H new ATOM 0 HA LEU A 7 6.728 -8.390 -14.296 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.918 -8.586 -16.359 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.426 -8.706 -17.269 1.00 0.00 H new ATOM 0 HG LEU A 7 5.967 -6.336 -16.120 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.033 -5.005 -16.011 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.009 -6.305 -14.796 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.992 -6.481 -16.269 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.824 -5.276 -18.166 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.705 -6.770 -18.566 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.926 -6.773 -18.512 1.00 0.00 H new ATOM 77 N GLU A 8 3.798 -9.061 -15.506 1.00 0.00 N ATOM 78 CA GLU A 8 2.392 -8.703 -15.439 1.00 0.00 C ATOM 79 C GLU A 8 1.857 -8.912 -14.021 1.00 0.00 C ATOM 80 O GLU A 8 1.089 -8.095 -13.517 1.00 0.00 O ATOM 81 CB GLU A 8 1.574 -9.502 -16.457 1.00 0.00 C ATOM 82 CG GLU A 8 1.205 -10.880 -15.903 1.00 0.00 C ATOM 83 CD GLU A 8 0.463 -11.712 -16.951 1.00 0.00 C ATOM 84 OE1 GLU A 8 -0.675 -11.380 -17.314 1.00 0.00 O ATOM 85 OE2 GLU A 8 1.112 -12.735 -17.394 1.00 0.00 O ATOM 0 H GLU A 8 3.990 -9.952 -15.963 1.00 0.00 H new ATOM 0 HA GLU A 8 2.294 -7.647 -15.691 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.667 -8.953 -16.711 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.145 -9.617 -17.378 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.108 -11.404 -15.591 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.581 -10.764 -15.017 1.00 0.00 H new ATOM 93 N ALA A 9 2.285 -10.011 -13.418 1.00 0.00 N ATOM 94 CA ALA A 9 1.859 -10.338 -12.067 1.00 0.00 C ATOM 95 C ALA A 9 2.435 -9.309 -11.093 1.00 0.00 C ATOM 96 O ALA A 9 1.724 -8.807 -10.223 1.00 0.00 O ATOM 97 CB ALA A 9 2.288 -11.767 -11.728 1.00 0.00 C ATOM 0 H ALA A 9 2.922 -10.687 -13.840 1.00 0.00 H new ATOM 0 HA ALA A 9 0.773 -10.297 -11.986 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.969 -12.012 -10.715 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.829 -12.461 -12.431 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.373 -11.847 -11.796 1.00 0.00 H new ATOM 103 N VAL A 10 3.717 -9.025 -11.270 1.00 0.00 N ATOM 104 CA VAL A 10 4.396 -8.065 -10.417 1.00 0.00 C ATOM 105 C VAL A 10 3.902 -6.656 -10.749 1.00 0.00 C ATOM 106 O VAL A 10 3.715 -5.833 -9.854 1.00 0.00 O ATOM 107 CB VAL A 10 5.912 -8.217 -10.562 1.00 0.00 C ATOM 108 CG1 VAL A 10 6.453 -7.294 -11.656 1.00 0.00 C ATOM 109 CG2 VAL A 10 6.619 -7.962 -9.230 1.00 0.00 C ATOM 0 H VAL A 10 4.304 -9.443 -11.992 1.00 0.00 H new ATOM 0 HA VAL A 10 4.163 -8.253 -9.369 1.00 0.00 H new ATOM 0 HB VAL A 10 6.119 -9.245 -10.859 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.532 -7.421 -11.739 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.984 -7.544 -12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.228 -6.258 -11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.695 -8.077 -9.361 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.401 -6.950 -8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.266 -8.678 -8.488 1.00 0.00 H new ATOM 119 N ARG A 11 3.705 -6.420 -12.038 1.00 0.00 N ATOM 120 CA ARG A 11 3.236 -5.124 -12.498 1.00 0.00 C ATOM 121 C ARG A 11 1.854 -4.822 -11.916 1.00 0.00 C ATOM 122 O ARG A 11 1.528 -3.666 -11.648 1.00 0.00 O ATOM 123 CB ARG A 11 3.159 -5.078 -14.026 1.00 0.00 C ATOM 124 CG ARG A 11 2.373 -3.853 -14.498 1.00 0.00 C ATOM 125 CD ARG A 11 2.333 -3.783 -16.026 1.00 0.00 C ATOM 126 NE ARG A 11 2.633 -2.406 -16.478 1.00 0.00 N ATOM 127 CZ ARG A 11 1.789 -1.362 -16.337 1.00 0.00 C ATOM 128 NH1 ARG A 11 0.582 -1.531 -15.755 1.00 0.00 N ATOM 129 NH2 ARG A 11 2.160 -0.175 -16.778 1.00 0.00 N ATOM 0 H ARG A 11 3.862 -7.104 -12.778 1.00 0.00 H new ATOM 0 HA ARG A 11 3.949 -4.373 -12.158 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.165 -5.052 -14.444 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.683 -5.985 -14.397 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.357 -3.895 -14.106 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.831 -2.947 -14.101 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.057 -4.479 -16.449 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.350 -4.087 -16.387 1.00 0.00 H new ATOM 0 HE ARG A 11 3.534 -2.235 -16.924 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.303 -2.452 -15.418 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.050 -0.737 -15.652 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.073 -0.057 -17.218 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.534 0.624 -16.679 1.00 0.00 H new ATOM 142 N ARG A 12 1.078 -5.881 -11.736 1.00 0.00 N ATOM 143 CA ARG A 12 -0.261 -5.743 -11.190 1.00 0.00 C ATOM 144 C ARG A 12 -0.202 -5.610 -9.667 1.00 0.00 C ATOM 145 O ARG A 12 -1.027 -4.921 -9.068 1.00 0.00 O ATOM 146 CB ARG A 12 -1.132 -6.947 -11.556 1.00 0.00 C ATOM 147 CG ARG A 12 -2.614 -6.639 -11.337 1.00 0.00 C ATOM 148 CD ARG A 12 -3.326 -7.817 -10.669 1.00 0.00 C ATOM 149 NE ARG A 12 -4.660 -7.394 -10.186 1.00 0.00 N ATOM 150 CZ ARG A 12 -5.728 -7.197 -10.988 1.00 0.00 C ATOM 151 NH1 ARG A 12 -5.627 -7.383 -12.321 1.00 0.00 N ATOM 152 NH2 ARG A 12 -6.872 -6.819 -10.448 1.00 0.00 N ATOM 0 H ARG A 12 1.351 -6.838 -11.959 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.703 -4.844 -11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.964 -7.219 -12.598 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.843 -7.807 -10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.716 -5.749 -10.717 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.088 -6.418 -12.293 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.430 -8.639 -11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.729 -8.188 -9.836 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.780 -7.242 -9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.739 -7.675 -12.729 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.439 -7.232 -12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.939 -6.680 -9.440 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.689 -6.666 -11.039 1.00 0.00 H new ATOM 165 N LYS A 13 0.780 -6.280 -9.084 1.00 0.00 N ATOM 166 CA LYS A 13 0.957 -6.245 -7.642 1.00 0.00 C ATOM 167 C LYS A 13 1.499 -4.874 -7.232 1.00 0.00 C ATOM 168 O LYS A 13 1.176 -4.371 -6.157 1.00 0.00 O ATOM 169 CB LYS A 13 1.830 -7.414 -7.180 1.00 0.00 C ATOM 170 CG LYS A 13 1.106 -8.258 -6.130 1.00 0.00 C ATOM 171 CD LYS A 13 0.433 -9.473 -6.772 1.00 0.00 C ATOM 172 CE LYS A 13 -0.896 -9.791 -6.084 1.00 0.00 C ATOM 173 NZ LYS A 13 -2.023 -9.180 -6.824 1.00 0.00 N ATOM 0 H LYS A 13 1.462 -6.851 -9.584 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.001 -6.374 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.092 -8.037 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.763 -7.034 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.816 -8.589 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.358 -7.650 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.261 -9.281 -7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.095 -10.336 -6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.033 -10.871 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.881 -9.417 -5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.917 -9.406 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.898 -8.148 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.047 -9.556 -7.793 1.00 0.00 H new ATOM 186 N ILE A 14 2.313 -4.308 -8.111 1.00 0.00 N ATOM 187 CA ILE A 14 2.903 -3.005 -7.854 1.00 0.00 C ATOM 188 C ILE A 14 1.847 -1.920 -8.074 1.00 0.00 C ATOM 189 O ILE A 14 1.682 -1.031 -7.241 1.00 0.00 O ATOM 190 CB ILE A 14 4.166 -2.814 -8.695 1.00 0.00 C ATOM 191 CG1 ILE A 14 5.077 -1.748 -8.082 1.00 0.00 C ATOM 192 CG2 ILE A 14 3.814 -2.498 -10.150 1.00 0.00 C ATOM 193 CD1 ILE A 14 4.431 -0.363 -8.160 1.00 0.00 C ATOM 0 H ILE A 14 2.578 -4.728 -9.002 1.00 0.00 H new ATOM 0 HA ILE A 14 3.226 -2.930 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 14 4.721 -3.752 -8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.286 -1.998 -7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.033 -1.737 -8.605 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.730 -2.367 -10.726 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.235 -3.320 -10.571 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.225 -1.582 -10.191 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.099 0.376 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.246 -0.106 -9.203 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.487 -0.371 -7.615 1.00 0.00 H new ATOM 205 N ARG A 15 1.159 -2.029 -9.201 1.00 0.00 N ATOM 206 CA ARG A 15 0.123 -1.068 -9.542 1.00 0.00 C ATOM 207 C ARG A 15 -1.015 -1.130 -8.521 1.00 0.00 C ATOM 208 O ARG A 15 -1.544 -0.098 -8.113 1.00 0.00 O ATOM 209 CB ARG A 15 -0.439 -1.337 -10.939 1.00 0.00 C ATOM 210 CG ARG A 15 -1.106 -0.084 -11.511 1.00 0.00 C ATOM 211 CD ARG A 15 -2.309 -0.453 -12.382 1.00 0.00 C ATOM 212 NE ARG A 15 -3.502 0.305 -11.945 1.00 0.00 N ATOM 213 CZ ARG A 15 -3.649 1.639 -12.096 1.00 0.00 C ATOM 214 NH1 ARG A 15 -2.677 2.374 -12.677 1.00 0.00 N ATOM 215 NH2 ARG A 15 -4.758 2.213 -11.668 1.00 0.00 N ATOM 0 H ARG A 15 1.298 -2.768 -9.890 1.00 0.00 H new ATOM 0 HA ARG A 15 0.574 -0.076 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.363 -1.661 -11.602 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.163 -2.150 -10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.427 0.565 -10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.384 0.479 -12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.092 -0.234 -13.428 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.503 -1.523 -12.314 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.261 -0.212 -11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.824 1.922 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.796 3.381 -12.787 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.488 1.650 -11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.885 3.219 -11.774 1.00 0.00 H new ATOM 228 N SER A 16 -1.357 -2.351 -8.137 1.00 0.00 N ATOM 229 CA SER A 16 -2.422 -2.561 -7.172 1.00 0.00 C ATOM 230 C SER A 16 -1.997 -2.035 -5.800 1.00 0.00 C ATOM 231 O SER A 16 -2.678 -1.195 -5.215 1.00 0.00 O ATOM 232 CB SER A 16 -2.798 -4.042 -7.079 1.00 0.00 C ATOM 233 OG SER A 16 -3.634 -4.449 -8.159 1.00 0.00 O ATOM 0 H SER A 16 -0.915 -3.205 -8.477 1.00 0.00 H new ATOM 0 HA SER A 16 -3.301 -2.011 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.891 -4.647 -7.075 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.310 -4.228 -6.135 1.00 0.00 H new ATOM 0 HG SER A 16 -3.079 -4.785 -8.893 1.00 0.00 H new ATOM 239 N LEU A 17 -0.872 -2.551 -5.327 1.00 0.00 N ATOM 240 CA LEU A 17 -0.347 -2.143 -4.035 1.00 0.00 C ATOM 241 C LEU A 17 -0.221 -0.619 -3.998 1.00 0.00 C ATOM 242 O LEU A 17 -0.486 0.005 -2.972 1.00 0.00 O ATOM 243 CB LEU A 17 0.962 -2.876 -3.732 1.00 0.00 C ATOM 244 CG LEU A 17 0.838 -4.369 -3.419 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.214 -5.035 -3.374 1.00 0.00 C ATOM 246 CD2 LEU A 17 0.048 -4.595 -2.128 1.00 0.00 C ATOM 0 H LEU A 17 -0.310 -3.248 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.035 -2.426 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.628 -2.758 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.442 -2.386 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 17 0.278 -4.842 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.098 -6.095 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.706 -4.920 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.821 -4.565 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.025 -5.664 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.559 -4.106 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.953 -4.177 -2.236 1.00 0.00 H new ATOM 258 N GLN A 18 0.184 -0.063 -5.131 1.00 0.00 N ATOM 259 CA GLN A 18 0.349 1.376 -5.241 1.00 0.00 C ATOM 260 C GLN A 18 -0.981 2.084 -4.978 1.00 0.00 C ATOM 261 O GLN A 18 -1.049 3.006 -4.167 1.00 0.00 O ATOM 262 CB GLN A 18 0.914 1.760 -6.610 1.00 0.00 C ATOM 263 CG GLN A 18 1.015 3.280 -6.755 1.00 0.00 C ATOM 264 CD GLN A 18 0.250 3.765 -7.988 1.00 0.00 C ATOM 265 OE1 GLN A 18 -0.739 4.474 -7.898 1.00 0.00 O ATOM 266 NE2 GLN A 18 0.762 3.346 -9.142 1.00 0.00 N ATOM 0 H GLN A 18 0.403 -0.584 -5.980 1.00 0.00 H new ATOM 0 HA GLN A 18 1.065 1.699 -4.486 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.900 1.313 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.276 1.358 -7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.616 3.761 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.062 3.573 -6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.593 2.754 -9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.324 3.617 -10.022 1.00 0.00 H new ATOM 275 N GLU A 19 -2.008 1.627 -5.681 1.00 0.00 N ATOM 276 CA GLU A 19 -3.332 2.205 -5.533 1.00 0.00 C ATOM 277 C GLU A 19 -3.806 2.085 -4.083 1.00 0.00 C ATOM 278 O GLU A 19 -4.419 3.008 -3.548 1.00 0.00 O ATOM 279 CB GLU A 19 -4.327 1.547 -6.491 1.00 0.00 C ATOM 280 CG GLU A 19 -3.974 1.857 -7.947 1.00 0.00 C ATOM 281 CD GLU A 19 -4.694 3.118 -8.429 1.00 0.00 C ATOM 282 OE1 GLU A 19 -4.064 4.177 -8.565 1.00 0.00 O ATOM 283 OE2 GLU A 19 -5.953 2.970 -8.667 1.00 0.00 O ATOM 0 H GLU A 19 -1.949 0.863 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.276 3.263 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.328 0.468 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.335 1.901 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.896 1.990 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.249 1.013 -8.579 1.00 0.00 H new ATOM 291 N GLN A 20 -3.504 0.940 -3.489 1.00 0.00 N ATOM 292 CA GLN A 20 -3.891 0.688 -2.111 1.00 0.00 C ATOM 293 C GLN A 20 -3.088 1.580 -1.162 1.00 0.00 C ATOM 294 O GLN A 20 -3.589 1.987 -0.115 1.00 0.00 O ATOM 295 CB GLN A 20 -3.716 -0.790 -1.754 1.00 0.00 C ATOM 296 CG GLN A 20 -3.950 -1.025 -0.261 1.00 0.00 C ATOM 297 CD GLN A 20 -4.046 -2.520 0.051 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.421 -2.881 1.168 1.00 0.00 O flip ATOM 299 NE2 GLN A 20 -4.647 -3.294 -0.675 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.996 0.177 -3.936 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.948 0.932 -2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.414 -1.393 -2.334 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.712 -1.117 -2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.136 -0.582 0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.868 -0.525 0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.105 -2.950 -1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.691 -4.285 -0.438 1.00 0.00 H new ATOM 308 N ASN A 21 -1.856 1.856 -1.562 1.00 0.00 N ATOM 309 CA ASN A 21 -0.979 2.692 -0.760 1.00 0.00 C ATOM 310 C ASN A 21 -1.568 4.101 -0.668 1.00 0.00 C ATOM 311 O ASN A 21 -1.641 4.678 0.416 1.00 0.00 O ATOM 312 CB ASN A 21 0.410 2.801 -1.394 1.00 0.00 C ATOM 313 CG ASN A 21 1.395 1.841 -0.725 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.580 2.106 -0.612 1.00 0.00 O ATOM 315 ND2 ASN A 21 0.840 0.713 -0.291 1.00 0.00 N ATOM 0 H ASN A 21 -1.444 1.516 -2.431 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.891 2.238 0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.346 2.578 -2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.776 3.824 -1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.414 0.006 0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.160 0.555 -0.418 1.00 0.00 H new ATOM 322 N TYR A 22 -1.974 4.615 -1.820 1.00 0.00 N ATOM 323 CA TYR A 22 -2.555 5.945 -1.883 1.00 0.00 C ATOM 324 C TYR A 22 -3.992 5.941 -1.358 1.00 0.00 C ATOM 325 O TYR A 22 -4.497 6.971 -0.912 1.00 0.00 O ATOM 326 CB TYR A 22 -2.567 6.331 -3.363 1.00 0.00 C ATOM 327 CG TYR A 22 -2.147 7.777 -3.633 1.00 0.00 C ATOM 328 CD1 TYR A 22 -0.823 8.146 -3.509 1.00 0.00 C ATOM 329 CD2 TYR A 22 -3.093 8.713 -4.001 1.00 0.00 C ATOM 330 CE1 TYR A 22 -0.429 9.508 -3.763 1.00 0.00 C ATOM 331 CE2 TYR A 22 -2.698 10.074 -4.255 1.00 0.00 C ATOM 332 CZ TYR A 22 -1.385 10.404 -4.123 1.00 0.00 C ATOM 333 OH TYR A 22 -1.013 11.690 -4.363 1.00 0.00 O ATOM 0 H TYR A 22 -1.912 4.134 -2.717 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.981 6.643 -1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.900 5.662 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.570 6.175 -3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.083 7.414 -3.222 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.129 8.424 -4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.604 9.810 -3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.428 10.816 -4.544 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.801 12.217 -4.612 1.00 0.00 H new ATOM 343 N HIS A 23 -4.611 4.771 -1.427 1.00 0.00 N ATOM 344 CA HIS A 23 -5.979 4.620 -0.964 1.00 0.00 C ATOM 345 C HIS A 23 -6.004 4.598 0.565 1.00 0.00 C ATOM 346 O HIS A 23 -6.850 5.240 1.186 1.00 0.00 O ATOM 347 CB HIS A 23 -6.629 3.382 -1.586 1.00 0.00 C ATOM 348 CG HIS A 23 -7.375 3.659 -2.870 1.00 0.00 C ATOM 349 ND1 HIS A 23 -8.150 4.790 -3.057 1.00 0.00 N ATOM 350 CD2 HIS A 23 -7.454 2.942 -4.027 1.00 0.00 C ATOM 351 CE1 HIS A 23 -8.669 4.744 -4.276 1.00 0.00 C ATOM 352 NE2 HIS A 23 -8.237 3.598 -4.875 1.00 0.00 N ATOM 0 H HIS A 23 -4.189 3.919 -1.797 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.573 5.474 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.857 2.638 -1.780 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.319 2.945 -0.864 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.963 2.000 -4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.320 5.484 -4.717 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -8.476 3.295 -5.819 1.00 0.00 H new ATOM 360 N LEU A 24 -5.067 3.851 1.130 1.00 0.00 N ATOM 361 CA LEU A 24 -4.970 3.736 2.575 1.00 0.00 C ATOM 362 C LEU A 24 -4.273 4.977 3.135 1.00 0.00 C ATOM 363 O LEU A 24 -4.516 5.369 4.276 1.00 0.00 O ATOM 364 CB LEU A 24 -4.292 2.421 2.964 1.00 0.00 C ATOM 365 CG LEU A 24 -5.169 1.169 2.898 1.00 0.00 C ATOM 366 CD1 LEU A 24 -6.071 1.196 1.662 1.00 0.00 C ATOM 367 CD2 LEU A 24 -4.317 -0.100 2.957 1.00 0.00 C ATOM 0 H LEU A 24 -4.367 3.319 0.612 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.964 3.699 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.431 2.272 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.909 2.519 3.980 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.820 1.161 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.684 0.295 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.717 2.073 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.456 1.239 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.964 -0.976 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.625 -0.113 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.753 -0.117 3.890 1.00 0.00 H new ATOM 379 N GLU A 25 -3.419 5.562 2.308 1.00 0.00 N ATOM 380 CA GLU A 25 -2.685 6.750 2.706 1.00 0.00 C ATOM 381 C GLU A 25 -3.635 7.942 2.838 1.00 0.00 C ATOM 382 O GLU A 25 -3.585 8.674 3.826 1.00 0.00 O ATOM 383 CB GLU A 25 -1.558 7.055 1.718 1.00 0.00 C ATOM 384 CG GLU A 25 -0.953 8.435 1.985 1.00 0.00 C ATOM 385 CD GLU A 25 0.108 8.781 0.938 1.00 0.00 C ATOM 386 OE1 GLU A 25 1.225 8.245 0.987 1.00 0.00 O ATOM 387 OE2 GLU A 25 -0.262 9.639 0.048 1.00 0.00 O ATOM 0 H GLU A 25 -3.219 5.234 1.363 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.230 6.563 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.783 6.293 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.942 7.013 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.740 9.189 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.507 8.454 2.980 1.00 0.00 H new ATOM 395 N ASN A 26 -4.480 8.100 1.830 1.00 0.00 N ATOM 396 CA ASN A 26 -5.440 9.190 1.821 1.00 0.00 C ATOM 397 C ASN A 26 -6.591 8.858 2.772 1.00 0.00 C ATOM 398 O ASN A 26 -7.184 9.753 3.371 1.00 0.00 O ATOM 399 CB ASN A 26 -6.027 9.396 0.423 1.00 0.00 C ATOM 400 CG ASN A 26 -5.013 10.070 -0.503 1.00 0.00 C ATOM 401 OD1 ASN A 26 -4.418 11.086 -0.181 1.00 0.00 O ATOM 402 ND2 ASN A 26 -4.849 9.451 -1.669 1.00 0.00 N ATOM 0 H ASN A 26 -4.520 7.491 1.013 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.922 10.097 2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.324 8.435 0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.927 10.007 0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.194 9.823 -2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.378 8.604 -1.876 1.00 0.00 H new ATOM 409 N GLU A 27 -6.873 7.568 2.881 1.00 0.00 N ATOM 410 CA GLU A 27 -7.942 7.106 3.750 1.00 0.00 C ATOM 411 C GLU A 27 -7.563 7.317 5.217 1.00 0.00 C ATOM 412 O GLU A 27 -8.259 8.023 5.946 1.00 0.00 O ATOM 413 CB GLU A 27 -8.276 5.638 3.476 1.00 0.00 C ATOM 414 CG GLU A 27 -9.365 5.137 4.426 1.00 0.00 C ATOM 415 CD GLU A 27 -10.726 5.095 3.728 1.00 0.00 C ATOM 416 OE1 GLU A 27 -11.575 5.965 3.974 1.00 0.00 O ATOM 417 OE2 GLU A 27 -10.886 4.117 2.903 1.00 0.00 O ATOM 0 H GLU A 27 -6.380 6.828 2.382 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.835 7.694 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.608 5.523 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.379 5.030 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.107 4.142 4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.420 5.789 5.298 1.00 0.00 H new ATOM 425 N VAL A 28 -6.461 6.693 5.606 1.00 0.00 N ATOM 426 CA VAL A 28 -5.982 6.804 6.973 1.00 0.00 C ATOM 427 C VAL A 28 -5.786 8.280 7.322 1.00 0.00 C ATOM 428 O VAL A 28 -6.302 8.757 8.332 1.00 0.00 O ATOM 429 CB VAL A 28 -4.708 5.974 7.150 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.462 6.819 6.882 1.00 0.00 C ATOM 431 CG2 VAL A 28 -4.654 5.343 8.543 1.00 0.00 C ATOM 0 H VAL A 28 -5.886 6.109 4.999 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.717 6.400 7.669 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.729 5.167 6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.571 6.205 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.493 7.199 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.433 7.656 7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.739 4.759 8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.667 6.128 9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.517 4.692 8.681 1.00 0.00 H new ATOM 441 N ALA A 29 -5.039 8.964 6.468 1.00 0.00 N ATOM 442 CA ALA A 29 -4.769 10.376 6.673 1.00 0.00 C ATOM 443 C ALA A 29 -6.075 11.096 7.017 1.00 0.00 C ATOM 444 O ALA A 29 -6.226 11.623 8.118 1.00 0.00 O ATOM 445 CB ALA A 29 -4.095 10.954 5.427 1.00 0.00 C ATOM 0 H ALA A 29 -4.612 8.566 5.632 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.084 10.518 7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.893 12.014 5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.158 10.429 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.754 10.832 4.567 1.00 0.00 H new ATOM 451 N ARG A 30 -6.985 11.095 6.054 1.00 0.00 N ATOM 452 CA ARG A 30 -8.273 11.742 6.241 1.00 0.00 C ATOM 453 C ARG A 30 -8.974 11.178 7.479 1.00 0.00 C ATOM 454 O ARG A 30 -9.823 11.843 8.072 1.00 0.00 O ATOM 455 CB ARG A 30 -9.171 11.543 5.019 1.00 0.00 C ATOM 456 CG ARG A 30 -10.481 12.319 5.170 1.00 0.00 C ATOM 457 CD ARG A 30 -11.688 11.411 4.921 1.00 0.00 C ATOM 458 NE ARG A 30 -12.931 12.214 4.909 1.00 0.00 N ATOM 459 CZ ARG A 30 -13.353 12.941 3.853 1.00 0.00 C ATOM 460 NH1 ARG A 30 -12.634 12.971 2.711 1.00 0.00 N ATOM 461 NH2 ARG A 30 -14.480 13.621 3.953 1.00 0.00 N ATOM 0 H ARG A 30 -6.856 10.657 5.142 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.093 12.809 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.649 11.875 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.385 10.482 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.542 12.745 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.497 13.152 4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.572 10.891 3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.746 10.648 5.697 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.505 12.218 5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.765 12.442 2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.960 13.523 1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.018 13.592 4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.813 14.175 3.164 1.00 0.00 H new ATOM 474 N LEU A 31 -8.594 9.959 7.832 1.00 0.00 N ATOM 475 CA LEU A 31 -9.176 9.300 8.988 1.00 0.00 C ATOM 476 C LEU A 31 -8.696 9.996 10.263 1.00 0.00 C ATOM 477 O LEU A 31 -9.501 10.522 11.029 1.00 0.00 O ATOM 478 CB LEU A 31 -8.877 7.800 8.956 1.00 0.00 C ATOM 479 CG LEU A 31 -9.768 6.919 9.834 1.00 0.00 C ATOM 480 CD1 LEU A 31 -11.187 7.485 9.916 1.00 0.00 C ATOM 481 CD2 LEU A 31 -9.757 5.469 9.346 1.00 0.00 C ATOM 0 H LEU A 31 -7.890 9.411 7.338 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.262 9.386 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.961 7.455 7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.841 7.650 9.259 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.361 6.921 10.845 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.800 6.840 10.546 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.155 8.487 10.345 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.618 7.532 8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.398 4.864 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.126 5.427 8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.739 5.081 9.381 1.00 0.00 H new ATOM 493 N LYS A 32 -7.384 9.976 10.452 1.00 0.00 N ATOM 494 CA LYS A 32 -6.787 10.598 11.621 1.00 0.00 C ATOM 495 C LYS A 32 -7.333 12.019 11.772 1.00 0.00 C ATOM 496 O LYS A 32 -7.493 12.511 12.888 1.00 0.00 O ATOM 497 CB LYS A 32 -5.260 10.532 11.542 1.00 0.00 C ATOM 498 CG LYS A 32 -4.773 9.082 11.553 1.00 0.00 C ATOM 499 CD LYS A 32 -3.886 8.792 10.341 1.00 0.00 C ATOM 500 CE LYS A 32 -3.022 7.551 10.578 1.00 0.00 C ATOM 501 NZ LYS A 32 -1.921 7.858 11.518 1.00 0.00 N ATOM 0 H LYS A 32 -6.718 9.539 9.815 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.061 10.053 12.524 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.917 11.028 10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.825 11.072 12.383 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.216 8.889 12.470 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.629 8.407 11.551 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.508 8.643 9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.247 9.652 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.636 6.744 10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.612 7.200 9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.191 7.120 11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.505 8.780 11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.292 7.890 12.489 1.00 0.00 H new ATOM 514 N LYS A 33 -7.606 12.639 10.633 1.00 0.00 N ATOM 515 CA LYS A 33 -8.131 13.993 10.624 1.00 0.00 C ATOM 516 C LYS A 33 -9.631 13.955 10.925 1.00 0.00 C ATOM 517 O LYS A 33 -10.176 14.895 11.502 1.00 0.00 O ATOM 518 CB LYS A 33 -7.785 14.694 9.309 1.00 0.00 C ATOM 519 CG LYS A 33 -8.192 16.169 9.350 1.00 0.00 C ATOM 520 CD LYS A 33 -7.010 17.052 9.755 1.00 0.00 C ATOM 521 CE LYS A 33 -7.057 17.380 11.249 1.00 0.00 C ATOM 522 NZ LYS A 33 -6.144 16.491 12.002 1.00 0.00 N ATOM 0 H LYS A 33 -7.473 12.227 9.709 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.663 14.588 11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.714 14.614 9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.292 14.196 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.561 16.476 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.011 16.305 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.075 16.544 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.026 17.975 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.775 18.421 11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.075 17.265 11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.620 16.152 12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.883 15.678 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.286 17.017 12.265 1.00 0.00 H new ATOM 535 N LEU A 34 -10.256 12.860 10.520 1.00 0.00 N ATOM 536 CA LEU A 34 -11.682 12.687 10.738 1.00 0.00 C ATOM 537 C LEU A 34 -11.923 12.247 12.184 1.00 0.00 C ATOM 538 O LEU A 34 -12.736 12.841 12.890 1.00 0.00 O ATOM 539 CB LEU A 34 -12.272 11.732 9.699 1.00 0.00 C ATOM 540 CG LEU A 34 -13.771 11.450 9.821 1.00 0.00 C ATOM 541 CD1 LEU A 34 -14.456 11.522 8.455 1.00 0.00 C ATOM 542 CD2 LEU A 34 -14.021 10.110 10.518 1.00 0.00 C ATOM 0 H LEU A 34 -9.801 12.083 10.042 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.205 13.633 10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.079 12.142 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.738 10.784 9.762 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.215 12.226 10.444 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.520 11.318 8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.321 12.518 8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.015 10.782 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.094 9.933 10.592 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.560 9.308 9.941 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.587 10.133 11.518 1.00 0.00 H new ATOM 554 N VAL A 35 -11.200 11.210 12.581 1.00 0.00 N ATOM 555 CA VAL A 35 -11.325 10.684 13.930 1.00 0.00 C ATOM 556 C VAL A 35 -11.064 11.806 14.936 1.00 0.00 C ATOM 557 O VAL A 35 -11.918 12.111 15.767 1.00 0.00 O ATOM 558 CB VAL A 35 -10.390 9.487 14.113 1.00 0.00 C ATOM 559 CG1 VAL A 35 -10.815 8.318 13.221 1.00 0.00 C ATOM 560 CG2 VAL A 35 -8.936 9.880 13.845 1.00 0.00 C ATOM 0 H VAL A 35 -10.526 10.720 11.993 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.337 10.319 14.106 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.463 9.161 15.151 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.134 7.480 13.370 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.829 8.012 13.480 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.785 8.628 12.176 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.293 9.011 13.982 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.840 10.244 12.822 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.637 10.665 14.539 1.00 0.00 H new ATOM 570 N GLY A 36 -9.879 12.389 14.830 1.00 0.00 N ATOM 571 CA GLY A 36 -9.494 13.471 15.721 1.00 0.00 C ATOM 572 C GLY A 36 -10.142 13.304 17.097 1.00 0.00 C ATOM 573 O GLY A 36 -10.571 14.282 17.707 1.00 0.00 O ATOM 0 H GLY A 36 -9.172 12.133 14.141 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.409 13.492 15.826 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.791 14.426 15.289 1.00 0.00 H new ATOM 577 N GLU A 37 -10.193 12.059 17.545 1.00 0.00 N ATOM 578 CA GLU A 37 -10.781 11.752 18.837 1.00 0.00 C ATOM 579 C GLU A 37 -9.875 12.251 19.965 1.00 0.00 C ATOM 580 O GLU A 37 -8.930 12.999 19.721 1.00 0.00 O ATOM 581 CB GLU A 37 -11.052 10.252 18.974 1.00 0.00 C ATOM 582 CG GLU A 37 -9.745 9.455 18.959 1.00 0.00 C ATOM 583 CD GLU A 37 -9.134 9.379 20.360 1.00 0.00 C ATOM 584 OE1 GLU A 37 -9.856 9.148 21.340 1.00 0.00 O ATOM 585 OE2 GLU A 37 -7.859 9.570 20.409 1.00 0.00 O ATOM 0 H GLU A 37 -9.836 11.250 17.036 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.738 12.269 18.911 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.589 10.059 19.903 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.695 9.919 18.159 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.933 8.449 18.585 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.037 9.923 18.274 1.00 0.00 H new ATOM 593 N ARG A 38 -10.196 11.816 21.175 1.00 0.00 N ATOM 594 CA ARG A 38 -9.423 12.209 22.340 1.00 0.00 C ATOM 595 C ARG A 38 -9.138 13.712 22.306 1.00 0.00 C ATOM 596 O ARG A 38 -9.909 14.480 21.733 1.00 0.00 O ATOM 597 CB ARG A 38 -8.097 11.448 22.404 1.00 0.00 C ATOM 598 CG ARG A 38 -7.261 11.903 23.602 1.00 0.00 C ATOM 599 CD ARG A 38 -7.820 11.336 24.909 1.00 0.00 C ATOM 600 NE ARG A 38 -7.706 12.344 25.987 1.00 0.00 N ATOM 601 CZ ARG A 38 -7.826 12.062 27.302 1.00 0.00 C ATOM 602 NH1 ARG A 38 -8.065 10.798 27.712 1.00 0.00 N ATOM 603 NH2 ARG A 38 -7.706 13.040 28.179 1.00 0.00 N ATOM 0 H ARG A 38 -10.981 11.195 21.373 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.012 11.967 23.225 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.291 10.378 22.477 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.537 11.609 21.483 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.228 11.579 23.473 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.250 12.992 23.649 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.864 11.051 24.775 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.276 10.433 25.185 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.526 13.312 25.720 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.156 10.048 27.027 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.154 10.593 28.707 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.525 13.992 27.860 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.794 12.844 29.176 1.00 0.00 H new TER 616 ARG A 38 ATOM 617 N GLY B 1 12.019 -3.208 -26.655 1.00 0.00 N ATOM 618 CA GLY B 1 11.461 -1.971 -27.174 1.00 0.00 C ATOM 619 C GLY B 1 10.067 -1.714 -26.598 1.00 0.00 C ATOM 620 O GLY B 1 9.879 -0.796 -25.801 1.00 0.00 O ATOM 0 H1 GLY B 1 12.965 -3.359 -27.061 1.00 0.00 H new ATOM 0 H2 GLY B 1 12.092 -3.148 -25.619 1.00 0.00 H new ATOM 0 H3 GLY B 1 11.400 -4.003 -26.913 1.00 0.00 H new ATOM 0 HA2 GLY B 1 12.120 -1.139 -26.926 1.00 0.00 H new ATOM 0 HA3 GLY B 1 11.406 -2.021 -28.261 1.00 0.00 H new ATOM 624 N ALA B 2 9.124 -2.542 -27.024 1.00 0.00 N ATOM 625 CA ALA B 2 7.752 -2.416 -26.561 1.00 0.00 C ATOM 626 C ALA B 2 7.491 -3.453 -25.467 1.00 0.00 C ATOM 627 O ALA B 2 6.596 -4.286 -25.597 1.00 0.00 O ATOM 628 CB ALA B 2 6.797 -2.567 -27.747 1.00 0.00 C ATOM 0 H ALA B 2 9.283 -3.303 -27.685 1.00 0.00 H new ATOM 0 HA ALA B 2 7.582 -1.430 -26.129 1.00 0.00 H new ATOM 0 HB1 ALA B 2 5.768 -2.473 -27.400 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.005 -1.790 -28.483 1.00 0.00 H new ATOM 0 HB3 ALA B 2 6.937 -3.546 -28.205 1.00 0.00 H new ATOM 634 N GLY B 3 8.289 -3.367 -24.413 1.00 0.00 N ATOM 635 CA GLY B 3 8.156 -4.287 -23.296 1.00 0.00 C ATOM 636 C GLY B 3 9.101 -3.907 -22.155 1.00 0.00 C ATOM 637 O GLY B 3 9.834 -2.924 -22.254 1.00 0.00 O ATOM 0 H GLY B 3 9.030 -2.674 -24.309 1.00 0.00 H new ATOM 0 HA2 GLY B 3 7.127 -4.282 -22.937 1.00 0.00 H new ATOM 0 HA3 GLY B 3 8.372 -5.302 -23.629 1.00 0.00 H new ATOM 641 N SER B 4 9.054 -4.705 -21.099 1.00 0.00 N ATOM 642 CA SER B 4 9.898 -4.464 -19.941 1.00 0.00 C ATOM 643 C SER B 4 9.296 -3.354 -19.077 1.00 0.00 C ATOM 644 O SER B 4 8.846 -2.333 -19.595 1.00 0.00 O ATOM 645 CB SER B 4 11.321 -4.094 -20.363 1.00 0.00 C ATOM 646 OG SER B 4 12.298 -4.627 -19.473 1.00 0.00 O ATOM 0 H SER B 4 8.445 -5.519 -21.021 1.00 0.00 H new ATOM 0 HA SER B 4 9.949 -5.384 -19.358 1.00 0.00 H new ATOM 0 HB2 SER B 4 11.508 -4.465 -21.371 1.00 0.00 H new ATOM 0 HB3 SER B 4 11.418 -3.009 -20.400 1.00 0.00 H new ATOM 0 HG SER B 4 13.193 -4.370 -19.778 1.00 0.00 H new ATOM 652 N SER B 5 9.306 -3.591 -17.773 1.00 0.00 N ATOM 653 CA SER B 5 8.767 -2.624 -16.832 1.00 0.00 C ATOM 654 C SER B 5 9.587 -2.637 -15.540 1.00 0.00 C ATOM 655 O SER B 5 9.036 -2.492 -14.450 1.00 0.00 O ATOM 656 CB SER B 5 7.295 -2.912 -16.529 1.00 0.00 C ATOM 657 OG SER B 5 6.455 -1.814 -16.872 1.00 0.00 O ATOM 0 H SER B 5 9.679 -4.439 -17.346 1.00 0.00 H new ATOM 0 HA SER B 5 8.830 -1.635 -17.285 1.00 0.00 H new ATOM 0 HB2 SER B 5 6.978 -3.797 -17.080 1.00 0.00 H new ATOM 0 HB3 SER B 5 7.181 -3.139 -15.469 1.00 0.00 H new ATOM 0 HG SER B 5 5.524 -2.038 -16.665 1.00 0.00 H new ATOM 663 N SER B 6 10.890 -2.812 -15.706 1.00 0.00 N ATOM 664 CA SER B 6 11.791 -2.846 -14.567 1.00 0.00 C ATOM 665 C SER B 6 11.320 -3.896 -13.558 1.00 0.00 C ATOM 666 O SER B 6 10.355 -3.672 -12.829 1.00 0.00 O ATOM 667 CB SER B 6 11.886 -1.473 -13.898 1.00 0.00 C ATOM 668 OG SER B 6 11.121 -0.489 -14.589 1.00 0.00 O ATOM 0 H SER B 6 11.343 -2.932 -16.612 1.00 0.00 H new ATOM 0 HA SER B 6 12.785 -3.115 -14.925 1.00 0.00 H new ATOM 0 HB2 SER B 6 11.537 -1.546 -12.868 1.00 0.00 H new ATOM 0 HB3 SER B 6 12.929 -1.160 -13.859 1.00 0.00 H new ATOM 0 HG SER B 6 11.206 0.373 -14.130 1.00 0.00 H new ATOM 674 N LEU B 7 12.024 -5.018 -13.548 1.00 0.00 N ATOM 675 CA LEU B 7 11.690 -6.103 -12.641 1.00 0.00 C ATOM 676 C LEU B 7 12.241 -5.786 -11.249 1.00 0.00 C ATOM 677 O LEU B 7 11.575 -6.030 -10.244 1.00 0.00 O ATOM 678 CB LEU B 7 12.175 -7.441 -13.204 1.00 0.00 C ATOM 679 CG LEU B 7 11.428 -8.684 -12.715 1.00 0.00 C ATOM 680 CD1 LEU B 7 10.061 -8.804 -13.392 1.00 0.00 C ATOM 681 CD2 LEU B 7 12.276 -9.943 -12.908 1.00 0.00 C ATOM 0 H LEU B 7 12.824 -5.199 -14.154 1.00 0.00 H new ATOM 0 HA LEU B 7 10.609 -6.198 -12.543 1.00 0.00 H new ATOM 0 HB2 LEU B 7 12.104 -7.403 -14.291 1.00 0.00 H new ATOM 0 HB3 LEU B 7 13.231 -7.555 -12.958 1.00 0.00 H new ATOM 0 HG LEU B 7 11.249 -8.577 -11.645 1.00 0.00 H new ATOM 0 HD11 LEU B 7 9.551 -9.696 -13.027 1.00 0.00 H new ATOM 0 HD12 LEU B 7 9.462 -7.923 -13.161 1.00 0.00 H new ATOM 0 HD13 LEU B 7 10.195 -8.879 -14.471 1.00 0.00 H new ATOM 0 HD21 LEU B 7 11.723 -10.812 -12.553 1.00 0.00 H new ATOM 0 HD22 LEU B 7 12.507 -10.067 -13.966 1.00 0.00 H new ATOM 0 HD23 LEU B 7 13.203 -9.847 -12.343 1.00 0.00 H new ATOM 693 N GLU B 8 13.451 -5.247 -11.235 1.00 0.00 N ATOM 694 CA GLU B 8 14.098 -4.894 -9.983 1.00 0.00 C ATOM 695 C GLU B 8 13.425 -3.667 -9.365 1.00 0.00 C ATOM 696 O GLU B 8 13.232 -3.605 -8.152 1.00 0.00 O ATOM 697 CB GLU B 8 15.595 -4.652 -10.189 1.00 0.00 C ATOM 698 CG GLU B 8 16.281 -5.903 -10.744 1.00 0.00 C ATOM 699 CD GLU B 8 17.023 -6.656 -9.638 1.00 0.00 C ATOM 700 OE1 GLU B 8 17.359 -6.064 -8.602 1.00 0.00 O ATOM 701 OE2 GLU B 8 17.249 -7.902 -9.885 1.00 0.00 O ATOM 0 H GLU B 8 14.000 -5.046 -12.071 1.00 0.00 H new ATOM 0 HA GLU B 8 13.990 -5.730 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU B 8 15.741 -3.818 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU B 8 16.055 -4.370 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU B 8 15.538 -6.558 -11.200 1.00 0.00 H new ATOM 0 HG3 GLU B 8 16.982 -5.620 -11.530 1.00 0.00 H new ATOM 709 N ALA B 9 13.086 -2.720 -10.228 1.00 0.00 N ATOM 710 CA ALA B 9 12.439 -1.498 -9.781 1.00 0.00 C ATOM 711 C ALA B 9 11.045 -1.831 -9.246 1.00 0.00 C ATOM 712 O ALA B 9 10.665 -1.376 -8.168 1.00 0.00 O ATOM 713 CB ALA B 9 12.395 -0.493 -10.934 1.00 0.00 C ATOM 0 H ALA B 9 13.247 -2.774 -11.234 1.00 0.00 H new ATOM 0 HA ALA B 9 13.004 -1.039 -8.969 1.00 0.00 H new ATOM 0 HB1 ALA B 9 11.910 0.424 -10.599 1.00 0.00 H new ATOM 0 HB2 ALA B 9 13.411 -0.268 -11.259 1.00 0.00 H new ATOM 0 HB3 ALA B 9 11.833 -0.918 -11.766 1.00 0.00 H new ATOM 719 N VAL B 10 10.320 -2.622 -10.023 1.00 0.00 N ATOM 720 CA VAL B 10 8.977 -3.021 -9.640 1.00 0.00 C ATOM 721 C VAL B 10 9.057 -4.033 -8.496 1.00 0.00 C ATOM 722 O VAL B 10 8.117 -4.167 -7.714 1.00 0.00 O ATOM 723 CB VAL B 10 8.222 -3.556 -10.859 1.00 0.00 C ATOM 724 CG1 VAL B 10 6.856 -4.115 -10.457 1.00 0.00 C ATOM 725 CG2 VAL B 10 8.078 -2.474 -11.932 1.00 0.00 C ATOM 0 H VAL B 10 10.638 -2.997 -10.917 1.00 0.00 H new ATOM 0 HA VAL B 10 8.413 -2.162 -9.276 1.00 0.00 H new ATOM 0 HB VAL B 10 8.806 -4.373 -11.283 1.00 0.00 H new ATOM 0 HG11 VAL B 10 6.341 -4.488 -11.342 1.00 0.00 H new ATOM 0 HG12 VAL B 10 6.991 -4.929 -9.745 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.261 -3.326 -9.997 1.00 0.00 H new ATOM 0 HG21 VAL B 10 7.538 -2.880 -12.788 1.00 0.00 H new ATOM 0 HG22 VAL B 10 7.527 -1.627 -11.523 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.067 -2.144 -12.250 1.00 0.00 H new ATOM 735 N ARG B 11 10.188 -4.720 -8.434 1.00 0.00 N ATOM 736 CA ARG B 11 10.403 -5.716 -7.398 1.00 0.00 C ATOM 737 C ARG B 11 10.523 -5.042 -6.030 1.00 0.00 C ATOM 738 O ARG B 11 9.960 -5.520 -5.046 1.00 0.00 O ATOM 739 CB ARG B 11 11.669 -6.530 -7.670 1.00 0.00 C ATOM 740 CG ARG B 11 12.117 -7.284 -6.417 1.00 0.00 C ATOM 741 CD ARG B 11 12.467 -8.737 -6.746 1.00 0.00 C ATOM 742 NE ARG B 11 11.238 -9.561 -6.766 1.00 0.00 N ATOM 743 CZ ARG B 11 11.232 -10.911 -6.802 1.00 0.00 C ATOM 744 NH1 ARG B 11 12.393 -11.600 -6.823 1.00 0.00 N ATOM 745 NH2 ARG B 11 10.075 -11.546 -6.817 1.00 0.00 N ATOM 0 H ARG B 11 10.965 -4.607 -9.084 1.00 0.00 H new ATOM 0 HA ARG B 11 9.545 -6.388 -7.402 1.00 0.00 H new ATOM 0 HB2 ARG B 11 11.484 -7.238 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG B 11 12.467 -5.867 -8.004 1.00 0.00 H new ATOM 0 HG2 ARG B 11 12.984 -6.788 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG B 11 11.324 -7.258 -5.670 1.00 0.00 H new ATOM 0 HD2 ARG B 11 12.966 -8.789 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG B 11 13.165 -9.128 -6.006 1.00 0.00 H new ATOM 0 HE ARG B 11 10.339 -9.079 -6.752 1.00 0.00 H new ATOM 0 HH11 ARG B 11 13.282 -11.101 -6.812 1.00 0.00 H new ATOM 0 HH12 ARG B 11 12.381 -12.620 -6.850 1.00 0.00 H new ATOM 0 HH21 ARG B 11 9.203 -11.017 -6.801 1.00 0.00 H new ATOM 0 HH22 ARG B 11 10.053 -12.565 -6.844 1.00 0.00 H new ATOM 758 N ARG B 12 11.260 -3.941 -6.011 1.00 0.00 N ATOM 759 CA ARG B 12 11.462 -3.196 -4.780 1.00 0.00 C ATOM 760 C ARG B 12 10.226 -2.351 -4.463 1.00 0.00 C ATOM 761 O ARG B 12 9.979 -2.017 -3.305 1.00 0.00 O ATOM 762 CB ARG B 12 12.683 -2.281 -4.883 1.00 0.00 C ATOM 763 CG ARG B 12 12.465 -1.191 -5.935 1.00 0.00 C ATOM 764 CD ARG B 12 13.014 0.153 -5.453 1.00 0.00 C ATOM 765 NE ARG B 12 14.469 0.229 -5.715 1.00 0.00 N ATOM 766 CZ ARG B 12 15.271 1.211 -5.252 1.00 0.00 C ATOM 767 NH1 ARG B 12 14.766 2.210 -4.499 1.00 0.00 N ATOM 768 NH2 ARG B 12 16.557 1.179 -5.548 1.00 0.00 N ATOM 0 H ARG B 12 11.725 -3.547 -6.829 1.00 0.00 H new ATOM 0 HA ARG B 12 11.630 -3.917 -3.980 1.00 0.00 H new ATOM 0 HB2 ARG B 12 12.881 -1.822 -3.914 1.00 0.00 H new ATOM 0 HB3 ARG B 12 13.563 -2.870 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG B 12 12.956 -1.476 -6.866 1.00 0.00 H new ATOM 0 HG3 ARG B 12 11.401 -1.097 -6.151 1.00 0.00 H new ATOM 0 HD2 ARG B 12 12.501 0.969 -5.963 1.00 0.00 H new ATOM 0 HD3 ARG B 12 12.821 0.273 -4.387 1.00 0.00 H new ATOM 0 HE ARG B 12 14.892 -0.507 -6.281 1.00 0.00 H new ATOM 0 HH11 ARG B 12 13.771 2.227 -4.275 1.00 0.00 H new ATOM 0 HH12 ARG B 12 15.379 2.948 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG B 12 16.930 0.420 -6.118 1.00 0.00 H new ATOM 0 HH22 ARG B 12 17.177 1.913 -5.206 1.00 0.00 H new ATOM 781 N LYS B 13 9.483 -2.030 -5.511 1.00 0.00 N ATOM 782 CA LYS B 13 8.279 -1.231 -5.359 1.00 0.00 C ATOM 783 C LYS B 13 7.138 -2.124 -4.867 1.00 0.00 C ATOM 784 O LYS B 13 6.303 -1.690 -4.075 1.00 0.00 O ATOM 785 CB LYS B 13 7.961 -0.488 -6.658 1.00 0.00 C ATOM 786 CG LYS B 13 7.620 0.978 -6.382 1.00 0.00 C ATOM 787 CD LYS B 13 8.853 1.748 -5.906 1.00 0.00 C ATOM 788 CE LYS B 13 9.440 2.596 -7.036 1.00 0.00 C ATOM 789 NZ LYS B 13 10.221 3.726 -6.484 1.00 0.00 N ATOM 0 H LYS B 13 9.691 -2.309 -6.470 1.00 0.00 H new ATOM 0 HA LYS B 13 8.428 -0.458 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS B 13 8.815 -0.546 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.124 -0.971 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS B 13 7.226 1.440 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS B 13 6.836 1.037 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.584 2.390 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS B 13 9.606 1.048 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS B 13 10.079 1.979 -7.668 1.00 0.00 H new ATOM 0 HE3 LYS B 13 8.637 2.975 -7.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 10.612 4.291 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 9.602 4.324 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 10.998 3.358 -5.899 1.00 0.00 H new ATOM 802 N ILE B 14 7.139 -3.355 -5.356 1.00 0.00 N ATOM 803 CA ILE B 14 6.115 -4.312 -4.976 1.00 0.00 C ATOM 804 C ILE B 14 6.324 -4.725 -3.517 1.00 0.00 C ATOM 805 O ILE B 14 5.375 -4.762 -2.736 1.00 0.00 O ATOM 806 CB ILE B 14 6.094 -5.491 -5.951 1.00 0.00 C ATOM 807 CG1 ILE B 14 4.802 -6.297 -5.810 1.00 0.00 C ATOM 808 CG2 ILE B 14 7.338 -6.366 -5.779 1.00 0.00 C ATOM 809 CD1 ILE B 14 4.716 -6.959 -4.433 1.00 0.00 C ATOM 0 H ILE B 14 7.833 -3.712 -6.013 1.00 0.00 H new ATOM 0 HA ILE B 14 5.127 -3.857 -5.041 1.00 0.00 H new ATOM 0 HB ILE B 14 6.116 -5.095 -6.966 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.943 -5.642 -5.957 1.00 0.00 H new ATOM 0 HG13 ILE B 14 4.758 -7.060 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE B 14 7.299 -7.197 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE B 14 8.231 -5.771 -5.970 1.00 0.00 H new ATOM 0 HG23 ILE B 14 7.372 -6.755 -4.761 1.00 0.00 H new ATOM 0 HD11 ILE B 14 3.788 -7.526 -4.359 1.00 0.00 H new ATOM 0 HD12 ILE B 14 5.563 -7.631 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE B 14 4.735 -6.192 -3.659 1.00 0.00 H new ATOM 821 N ARG B 15 7.574 -5.023 -3.194 1.00 0.00 N ATOM 822 CA ARG B 15 7.920 -5.431 -1.843 1.00 0.00 C ATOM 823 C ARG B 15 7.715 -4.270 -0.868 1.00 0.00 C ATOM 824 O ARG B 15 7.128 -4.446 0.198 1.00 0.00 O ATOM 825 CB ARG B 15 9.374 -5.902 -1.765 1.00 0.00 C ATOM 826 CG ARG B 15 9.485 -7.214 -0.985 1.00 0.00 C ATOM 827 CD ARG B 15 10.946 -7.549 -0.681 1.00 0.00 C ATOM 828 NE ARG B 15 11.520 -6.531 0.228 1.00 0.00 N ATOM 829 CZ ARG B 15 12.129 -5.401 -0.190 1.00 0.00 C ATOM 830 NH1 ARG B 15 12.249 -5.135 -1.508 1.00 0.00 N ATOM 831 NH2 ARG B 15 12.606 -4.561 0.709 1.00 0.00 N ATOM 0 H ARG B 15 8.359 -4.990 -3.844 1.00 0.00 H new ATOM 0 HA ARG B 15 7.266 -6.259 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.770 -6.039 -2.771 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.983 -5.136 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG B 15 8.925 -7.136 -0.053 1.00 0.00 H new ATOM 0 HG3 ARG B 15 9.035 -8.023 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG B 15 11.014 -8.536 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG B 15 11.520 -7.586 -1.607 1.00 0.00 H new ATOM 0 HE ARG B 15 11.451 -6.694 1.233 1.00 0.00 H new ATOM 0 HH11 ARG B 15 11.878 -5.790 -2.196 1.00 0.00 H new ATOM 0 HH12 ARG B 15 12.711 -4.279 -1.816 1.00 0.00 H new ATOM 0 HH21 ARG B 15 12.512 -4.770 1.703 1.00 0.00 H new ATOM 0 HH22 ARG B 15 13.069 -3.703 0.410 1.00 0.00 H new ATOM 844 N SER B 16 8.209 -3.108 -1.270 1.00 0.00 N ATOM 845 CA SER B 16 8.088 -1.918 -0.446 1.00 0.00 C ATOM 846 C SER B 16 6.612 -1.562 -0.255 1.00 0.00 C ATOM 847 O SER B 16 6.149 -1.400 0.873 1.00 0.00 O ATOM 848 CB SER B 16 8.842 -0.739 -1.064 1.00 0.00 C ATOM 849 OG SER B 16 8.741 0.437 -0.267 1.00 0.00 O ATOM 0 H SER B 16 8.694 -2.966 -2.156 1.00 0.00 H new ATOM 0 HA SER B 16 8.534 -2.129 0.526 1.00 0.00 H new ATOM 0 HB2 SER B 16 9.892 -1.005 -1.186 1.00 0.00 H new ATOM 0 HB3 SER B 16 8.446 -0.537 -2.059 1.00 0.00 H new ATOM 0 HG SER B 16 9.237 1.166 -0.695 1.00 0.00 H new ATOM 855 N LEU B 17 5.914 -1.451 -1.376 1.00 0.00 N ATOM 856 CA LEU B 17 4.500 -1.117 -1.347 1.00 0.00 C ATOM 857 C LEU B 17 3.759 -2.130 -0.472 1.00 0.00 C ATOM 858 O LEU B 17 2.879 -1.760 0.303 1.00 0.00 O ATOM 859 CB LEU B 17 3.945 -1.010 -2.769 1.00 0.00 C ATOM 860 CG LEU B 17 4.356 0.235 -3.557 1.00 0.00 C ATOM 861 CD1 LEU B 17 3.838 0.169 -4.995 1.00 0.00 C ATOM 862 CD2 LEU B 17 3.904 1.510 -2.843 1.00 0.00 C ATOM 0 H LEU B 17 6.301 -1.586 -2.310 1.00 0.00 H new ATOM 0 HA LEU B 17 4.350 -0.136 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.261 -1.891 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.857 -1.040 -2.716 1.00 0.00 H new ATOM 0 HG LEU B 17 5.444 0.263 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.144 1.066 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.250 -0.710 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.750 0.104 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU B 17 4.209 2.380 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.819 1.504 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.362 1.555 -1.855 1.00 0.00 H new ATOM 874 N GLN B 18 4.142 -3.389 -0.626 1.00 0.00 N ATOM 875 CA GLN B 18 3.525 -4.459 0.140 1.00 0.00 C ATOM 876 C GLN B 18 3.619 -4.161 1.637 1.00 0.00 C ATOM 877 O GLN B 18 2.621 -4.232 2.352 1.00 0.00 O ATOM 878 CB GLN B 18 4.163 -5.809 -0.192 1.00 0.00 C ATOM 879 CG GLN B 18 3.470 -6.944 0.565 1.00 0.00 C ATOM 880 CD GLN B 18 4.493 -7.930 1.132 1.00 0.00 C ATOM 881 OE1 GLN B 18 4.516 -8.230 2.314 1.00 0.00 O ATOM 882 NE2 GLN B 18 5.337 -8.415 0.225 1.00 0.00 N ATOM 0 H GLN B 18 4.872 -3.692 -1.270 1.00 0.00 H new ATOM 0 HA GLN B 18 2.471 -4.516 -0.134 1.00 0.00 H new ATOM 0 HB2 GLN B 18 4.100 -5.991 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.222 -5.788 0.066 1.00 0.00 H new ATOM 0 HG2 GLN B 18 2.869 -6.532 1.376 1.00 0.00 H new ATOM 0 HG3 GLN B 18 2.787 -7.468 -0.104 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.263 -8.122 -0.749 1.00 0.00 H new ATOM 0 HE22 GLN B 18 6.058 -9.080 0.504 1.00 0.00 H new ATOM 891 N GLU B 19 4.829 -3.834 2.068 1.00 0.00 N ATOM 892 CA GLU B 19 5.067 -3.525 3.468 1.00 0.00 C ATOM 893 C GLU B 19 4.185 -2.356 3.911 1.00 0.00 C ATOM 894 O GLU B 19 3.622 -2.378 5.005 1.00 0.00 O ATOM 895 CB GLU B 19 6.545 -3.223 3.720 1.00 0.00 C ATOM 896 CG GLU B 19 7.338 -4.513 3.941 1.00 0.00 C ATOM 897 CD GLU B 19 8.540 -4.267 4.856 1.00 0.00 C ATOM 898 OE1 GLU B 19 8.417 -4.380 6.085 1.00 0.00 O ATOM 899 OE2 GLU B 19 9.632 -3.948 4.248 1.00 0.00 O ATOM 0 H GLU B 19 5.655 -3.776 1.472 1.00 0.00 H new ATOM 0 HA GLU B 19 4.803 -4.400 4.062 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.959 -2.679 2.871 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.644 -2.577 4.592 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.691 -5.271 4.381 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.680 -4.903 2.982 1.00 0.00 H new ATOM 907 N GLN B 20 4.092 -1.363 3.039 1.00 0.00 N ATOM 908 CA GLN B 20 3.288 -0.187 3.326 1.00 0.00 C ATOM 909 C GLN B 20 1.801 -0.547 3.321 1.00 0.00 C ATOM 910 O GLN B 20 1.016 0.033 4.071 1.00 0.00 O ATOM 911 CB GLN B 20 3.584 0.936 2.331 1.00 0.00 C ATOM 912 CG GLN B 20 2.428 1.936 2.273 1.00 0.00 C ATOM 913 CD GLN B 20 2.882 3.265 1.667 1.00 0.00 C ATOM 914 OE1 GLN B 20 1.909 3.949 1.071 1.00 0.00 O flip ATOM 915 NE2 GLN B 20 4.040 3.645 1.735 1.00 0.00 N flip ATOM 0 H GLN B 20 4.560 -1.349 2.133 1.00 0.00 H new ATOM 0 HA GLN B 20 3.551 0.175 4.320 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.500 1.451 2.620 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.754 0.514 1.341 1.00 0.00 H new ATOM 0 HG2 GLN B 20 1.613 1.521 1.680 1.00 0.00 H new ATOM 0 HG3 GLN B 20 2.038 2.104 3.277 1.00 0.00 H new ATOM 0 HE21 GLN B 20 4.738 3.071 2.207 1.00 0.00 H new ATOM 0 HE22 GLN B 20 4.309 4.537 1.319 1.00 0.00 H new ATOM 924 N ASN B 21 1.458 -1.501 2.469 1.00 0.00 N ATOM 925 CA ASN B 21 0.079 -1.944 2.356 1.00 0.00 C ATOM 926 C ASN B 21 -0.379 -2.516 3.699 1.00 0.00 C ATOM 927 O ASN B 21 -1.480 -2.220 4.161 1.00 0.00 O ATOM 928 CB ASN B 21 -0.061 -3.044 1.302 1.00 0.00 C ATOM 929 CG ASN B 21 -0.414 -2.452 -0.064 1.00 0.00 C ATOM 930 OD1 ASN B 21 -1.533 -2.545 -0.540 1.00 0.00 O ATOM 931 ND2 ASN B 21 0.601 -1.839 -0.666 1.00 0.00 N ATOM 0 H ASN B 21 2.112 -1.980 1.850 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.528 -1.087 2.066 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.871 -3.604 1.230 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -0.834 -3.749 1.608 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.467 -1.411 -1.582 1.00 0.00 H new ATOM 0 HD22 ASN B 21 1.513 -1.797 -0.212 1.00 0.00 H new ATOM 938 N TYR B 22 0.489 -3.325 4.289 1.00 0.00 N ATOM 939 CA TYR B 22 0.187 -3.941 5.570 1.00 0.00 C ATOM 940 C TYR B 22 0.406 -2.954 6.718 1.00 0.00 C ATOM 941 O TYR B 22 -0.187 -3.097 7.786 1.00 0.00 O ATOM 942 CB TYR B 22 1.167 -5.106 5.720 1.00 0.00 C ATOM 943 CG TYR B 22 0.494 -6.473 5.854 1.00 0.00 C ATOM 944 CD1 TYR B 22 -0.394 -6.903 4.889 1.00 0.00 C ATOM 945 CD2 TYR B 22 0.774 -7.276 6.941 1.00 0.00 C ATOM 946 CE1 TYR B 22 -1.027 -8.190 5.016 1.00 0.00 C ATOM 947 CE2 TYR B 22 0.141 -8.563 7.067 1.00 0.00 C ATOM 948 CZ TYR B 22 -0.729 -8.956 6.099 1.00 0.00 C ATOM 949 OH TYR B 22 -1.327 -10.172 6.218 1.00 0.00 O ATOM 0 H TYR B 22 1.401 -3.568 3.903 1.00 0.00 H new ATOM 0 HA TYR B 22 -0.854 -4.264 5.605 1.00 0.00 H new ATOM 0 HB2 TYR B 22 1.831 -5.123 4.855 1.00 0.00 H new ATOM 0 HB3 TYR B 22 1.790 -4.932 6.597 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -0.614 -6.274 4.039 1.00 0.00 H new ATOM 0 HD2 TYR B 22 1.468 -6.939 7.697 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -1.723 -8.539 4.268 1.00 0.00 H new ATOM 0 HE2 TYR B 22 0.353 -9.202 7.912 1.00 0.00 H new ATOM 0 HH TYR B 22 -1.019 -10.609 7.039 1.00 0.00 H new ATOM 959 N HIS B 23 1.260 -1.974 6.459 1.00 0.00 N ATOM 960 CA HIS B 23 1.565 -0.964 7.457 1.00 0.00 C ATOM 961 C HIS B 23 0.410 0.036 7.546 1.00 0.00 C ATOM 962 O HIS B 23 0.025 0.450 8.638 1.00 0.00 O ATOM 963 CB HIS B 23 2.908 -0.294 7.159 1.00 0.00 C ATOM 964 CG HIS B 23 3.350 0.692 8.214 1.00 0.00 C ATOM 965 ND1 HIS B 23 4.172 0.342 9.271 1.00 0.00 N ATOM 966 CD2 HIS B 23 3.077 2.021 8.363 1.00 0.00 C ATOM 967 CE1 HIS B 23 4.376 1.418 10.016 1.00 0.00 C ATOM 968 NE2 HIS B 23 3.697 2.457 9.452 1.00 0.00 N ATOM 0 H HIS B 23 1.750 -1.859 5.572 1.00 0.00 H new ATOM 0 HA HIS B 23 1.668 -1.434 8.435 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.672 -1.065 7.054 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.841 0.221 6.201 1.00 0.00 H new ATOM 0 HD2 HIS B 23 2.461 2.617 7.706 1.00 0.00 H new ATOM 0 HE1 HIS B 23 4.975 1.464 10.913 1.00 0.00 H new ATOM 0 HE2 HIS B 23 3.670 3.412 9.809 1.00 0.00 H new ATOM 976 N LEU B 24 -0.110 0.394 6.381 1.00 0.00 N ATOM 977 CA LEU B 24 -1.213 1.337 6.313 1.00 0.00 C ATOM 978 C LEU B 24 -2.521 0.609 6.628 1.00 0.00 C ATOM 979 O LEU B 24 -3.451 1.203 7.172 1.00 0.00 O ATOM 980 CB LEU B 24 -1.220 2.057 4.963 1.00 0.00 C ATOM 981 CG LEU B 24 -0.985 3.569 5.008 1.00 0.00 C ATOM 982 CD1 LEU B 24 -0.610 4.106 3.626 1.00 0.00 C ATOM 983 CD2 LEU B 24 -2.197 4.295 5.596 1.00 0.00 C ATOM 0 H LEU B 24 0.212 0.048 5.477 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.093 2.118 7.064 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -0.454 1.609 4.331 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.180 1.873 4.480 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.141 3.764 5.669 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -0.448 5.182 3.685 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.303 3.620 3.283 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -1.417 3.899 2.924 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.004 5.368 5.617 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -3.074 4.096 4.980 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.377 3.939 6.610 1.00 0.00 H new ATOM 995 N GLU B 25 -2.551 -0.667 6.273 1.00 0.00 N ATOM 996 CA GLU B 25 -3.730 -1.483 6.511 1.00 0.00 C ATOM 997 C GLU B 25 -3.926 -1.708 8.012 1.00 0.00 C ATOM 998 O GLU B 25 -5.045 -1.626 8.515 1.00 0.00 O ATOM 999 CB GLU B 25 -3.635 -2.815 5.765 1.00 0.00 C ATOM 1000 CG GLU B 25 -4.737 -3.776 6.216 1.00 0.00 C ATOM 1001 CD GLU B 25 -4.619 -5.122 5.497 1.00 0.00 C ATOM 1002 OE1 GLU B 25 -3.632 -5.845 5.695 1.00 0.00 O ATOM 1003 OE2 GLU B 25 -5.600 -5.407 4.709 1.00 0.00 O ATOM 0 H GLU B 25 -1.778 -1.156 5.822 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.600 -0.950 6.127 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.716 -2.641 4.692 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -2.659 -3.266 5.942 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.673 -3.928 7.293 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.713 -3.336 6.014 1.00 0.00 H new ATOM 1011 N ASN B 26 -2.819 -1.986 8.685 1.00 0.00 N ATOM 1012 CA ASN B 26 -2.855 -2.224 10.118 1.00 0.00 C ATOM 1013 C ASN B 26 -2.927 -0.883 10.851 1.00 0.00 C ATOM 1014 O ASN B 26 -3.483 -0.798 11.945 1.00 0.00 O ATOM 1015 CB ASN B 26 -1.594 -2.952 10.588 1.00 0.00 C ATOM 1016 CG ASN B 26 -1.645 -4.434 10.213 1.00 0.00 C ATOM 1017 OD1 ASN B 26 -2.573 -5.154 10.547 1.00 0.00 O ATOM 1018 ND2 ASN B 26 -0.600 -4.850 9.504 1.00 0.00 N ATOM 0 H ASN B 26 -1.892 -2.052 8.265 1.00 0.00 H new ATOM 0 HA ASN B 26 -3.728 -2.839 10.336 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -0.714 -2.490 10.140 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -1.492 -2.850 11.668 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -0.541 -5.824 9.206 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.143 -4.195 9.258 1.00 0.00 H new ATOM 1025 N GLU B 27 -2.357 0.133 10.219 1.00 0.00 N ATOM 1026 CA GLU B 27 -2.350 1.466 10.797 1.00 0.00 C ATOM 1027 C GLU B 27 -3.763 2.051 10.799 1.00 0.00 C ATOM 1028 O GLU B 27 -4.211 2.598 11.806 1.00 0.00 O ATOM 1029 CB GLU B 27 -1.378 2.382 10.051 1.00 0.00 C ATOM 1030 CG GLU B 27 -1.438 3.808 10.601 1.00 0.00 C ATOM 1031 CD GLU B 27 -0.526 3.965 11.819 1.00 0.00 C ATOM 1032 OE1 GLU B 27 0.682 4.198 11.664 1.00 0.00 O ATOM 1033 OE2 GLU B 27 -1.114 3.837 12.960 1.00 0.00 O ATOM 0 H GLU B 27 -1.897 0.059 9.312 1.00 0.00 H new ATOM 0 HA GLU B 27 -2.008 1.391 11.829 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -0.363 1.995 10.144 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -1.621 2.388 8.988 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -1.140 4.513 9.826 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -2.464 4.052 10.877 1.00 0.00 H new ATOM 1041 N VAL B 28 -4.427 1.916 9.660 1.00 0.00 N ATOM 1042 CA VAL B 28 -5.780 2.425 9.518 1.00 0.00 C ATOM 1043 C VAL B 28 -6.731 1.577 10.365 1.00 0.00 C ATOM 1044 O VAL B 28 -7.580 2.112 11.076 1.00 0.00 O ATOM 1045 CB VAL B 28 -6.172 2.465 8.039 1.00 0.00 C ATOM 1046 CG1 VAL B 28 -6.921 1.194 7.636 1.00 0.00 C ATOM 1047 CG2 VAL B 28 -6.999 3.713 7.725 1.00 0.00 C ATOM 0 H VAL B 28 -4.053 1.461 8.827 1.00 0.00 H new ATOM 0 HA VAL B 28 -5.843 3.449 9.885 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.256 2.514 7.450 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -7.188 1.248 6.581 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -6.283 0.327 7.805 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.827 1.100 8.235 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -7.264 3.717 6.668 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -7.907 3.708 8.327 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -6.415 4.604 7.956 1.00 0.00 H new ATOM 1057 N ALA B 29 -6.557 0.267 10.261 1.00 0.00 N ATOM 1058 CA ALA B 29 -7.389 -0.660 11.009 1.00 0.00 C ATOM 1059 C ALA B 29 -7.265 -0.358 12.504 1.00 0.00 C ATOM 1060 O ALA B 29 -8.267 -0.121 13.177 1.00 0.00 O ATOM 1061 CB ALA B 29 -6.985 -2.096 10.669 1.00 0.00 C ATOM 0 H ALA B 29 -5.852 -0.174 9.670 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.437 -0.542 10.735 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.609 -2.792 11.230 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -7.119 -2.268 9.601 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.939 -2.252 10.934 1.00 0.00 H new ATOM 1067 N ARG B 30 -6.029 -0.375 12.978 1.00 0.00 N ATOM 1068 CA ARG B 30 -5.761 -0.106 14.381 1.00 0.00 C ATOM 1069 C ARG B 30 -6.153 1.332 14.729 1.00 0.00 C ATOM 1070 O ARG B 30 -6.468 1.631 15.880 1.00 0.00 O ATOM 1071 CB ARG B 30 -4.283 -0.319 14.711 1.00 0.00 C ATOM 1072 CG ARG B 30 -4.013 -0.083 16.198 1.00 0.00 C ATOM 1073 CD ARG B 30 -2.963 1.011 16.399 1.00 0.00 C ATOM 1074 NE ARG B 30 -2.592 1.101 17.829 1.00 0.00 N ATOM 1075 CZ ARG B 30 -1.770 0.232 18.453 1.00 0.00 C ATOM 1076 NH1 ARG B 30 -1.224 -0.802 17.777 1.00 0.00 N ATOM 1077 NH2 ARG B 30 -1.506 0.408 19.735 1.00 0.00 N ATOM 0 H ARG B 30 -5.201 -0.571 12.416 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.356 -0.802 14.972 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -3.989 -1.333 14.441 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -3.672 0.359 14.115 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -4.939 0.201 16.699 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -3.671 -1.009 16.660 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -2.080 0.793 15.799 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -3.354 1.969 16.055 1.00 0.00 H new ATOM 0 HE ARG B 30 -2.982 1.868 18.377 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -1.432 -0.931 16.787 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -0.604 -1.454 18.257 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -1.922 1.192 20.238 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -0.887 -0.240 20.222 1.00 0.00 H new ATOM 1090 N LEU B 31 -6.120 2.183 13.714 1.00 0.00 N ATOM 1091 CA LEU B 31 -6.468 3.581 13.899 1.00 0.00 C ATOM 1092 C LEU B 31 -7.933 3.686 14.325 1.00 0.00 C ATOM 1093 O LEU B 31 -8.253 4.367 15.299 1.00 0.00 O ATOM 1094 CB LEU B 31 -6.134 4.387 12.642 1.00 0.00 C ATOM 1095 CG LEU B 31 -6.853 5.729 12.494 1.00 0.00 C ATOM 1096 CD1 LEU B 31 -6.427 6.703 13.594 1.00 0.00 C ATOM 1097 CD2 LEU B 31 -6.641 6.314 11.097 1.00 0.00 C ATOM 0 H LEU B 31 -5.858 1.931 12.761 1.00 0.00 H new ATOM 0 HA LEU B 31 -5.871 4.019 14.699 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -5.060 4.570 12.627 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -6.366 3.775 11.770 1.00 0.00 H new ATOM 0 HG LEU B 31 -7.923 5.558 12.612 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -6.953 7.649 13.466 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -6.672 6.281 14.569 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -5.352 6.874 13.532 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -7.163 7.268 11.019 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -5.576 6.468 10.925 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -7.033 5.624 10.350 1.00 0.00 H new ATOM 1109 N LYS B 32 -8.785 3.002 13.575 1.00 0.00 N ATOM 1110 CA LYS B 32 -10.209 3.010 13.863 1.00 0.00 C ATOM 1111 C LYS B 32 -10.451 2.375 15.234 1.00 0.00 C ATOM 1112 O LYS B 32 -11.120 2.961 16.084 1.00 0.00 O ATOM 1113 CB LYS B 32 -10.989 2.342 12.729 1.00 0.00 C ATOM 1114 CG LYS B 32 -10.515 2.848 11.365 1.00 0.00 C ATOM 1115 CD LYS B 32 -10.410 1.699 10.360 1.00 0.00 C ATOM 1116 CE LYS B 32 -10.514 2.216 8.924 1.00 0.00 C ATOM 1117 NZ LYS B 32 -11.931 2.322 8.513 1.00 0.00 N ATOM 0 H LYS B 32 -8.516 2.439 12.768 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.582 4.033 13.915 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.863 1.261 12.784 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -12.054 2.545 12.846 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -11.209 3.601 10.991 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.545 3.334 11.470 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.462 1.178 10.495 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.202 0.974 10.547 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.033 3.191 8.846 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.983 1.544 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.984 2.674 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.379 1.385 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -12.428 2.981 9.146 1.00 0.00 H new ATOM 1130 N LYS B 33 -9.894 1.186 15.406 1.00 0.00 N ATOM 1131 CA LYS B 33 -10.041 0.465 16.659 1.00 0.00 C ATOM 1132 C LYS B 33 -9.612 1.369 17.816 1.00 0.00 C ATOM 1133 O LYS B 33 -10.265 1.402 18.858 1.00 0.00 O ATOM 1134 CB LYS B 33 -9.285 -0.864 16.604 1.00 0.00 C ATOM 1135 CG LYS B 33 -9.584 -1.717 17.839 1.00 0.00 C ATOM 1136 CD LYS B 33 -9.673 -3.200 17.474 1.00 0.00 C ATOM 1137 CE LYS B 33 -8.322 -3.892 17.661 1.00 0.00 C ATOM 1138 NZ LYS B 33 -8.485 -5.151 18.422 1.00 0.00 N ATOM 0 H LYS B 33 -9.340 0.703 14.699 1.00 0.00 H new ATOM 0 HA LYS B 33 -11.086 0.204 16.828 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.567 -1.410 15.704 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.214 -0.675 16.539 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -8.803 -1.569 18.585 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -10.522 -1.393 18.290 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -10.424 -3.687 18.096 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.999 -3.305 16.439 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -7.877 -4.103 16.689 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.637 -3.228 18.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -7.558 -5.608 18.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -8.889 -4.942 19.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -9.122 -5.789 17.904 1.00 0.00 H new ATOM 1151 N LEU B 34 -8.517 2.081 17.594 1.00 0.00 N ATOM 1152 CA LEU B 34 -7.994 2.983 18.606 1.00 0.00 C ATOM 1153 C LEU B 34 -8.961 4.154 18.788 1.00 0.00 C ATOM 1154 O LEU B 34 -9.158 4.634 19.904 1.00 0.00 O ATOM 1155 CB LEU B 34 -6.568 3.412 18.254 1.00 0.00 C ATOM 1156 CG LEU B 34 -5.738 3.989 19.404 1.00 0.00 C ATOM 1157 CD1 LEU B 34 -5.190 2.874 20.297 1.00 0.00 C ATOM 1158 CD2 LEU B 34 -4.627 4.898 18.876 1.00 0.00 C ATOM 0 H LEU B 34 -7.978 2.052 16.729 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.922 2.476 19.568 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.040 2.549 17.848 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.619 4.157 17.460 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.392 4.605 20.022 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.604 3.311 21.106 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.019 2.303 20.716 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.556 2.213 19.706 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.053 5.295 19.713 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.968 4.326 18.223 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.067 5.722 18.315 1.00 0.00 H new ATOM 1170 N VAL B 35 -9.539 4.581 17.675 1.00 0.00 N ATOM 1171 CA VAL B 35 -10.482 5.687 17.698 1.00 0.00 C ATOM 1172 C VAL B 35 -11.849 5.177 18.157 1.00 0.00 C ATOM 1173 O VAL B 35 -12.204 5.307 19.327 1.00 0.00 O ATOM 1174 CB VAL B 35 -10.525 6.366 16.328 1.00 0.00 C ATOM 1175 CG1 VAL B 35 -11.482 7.560 16.338 1.00 0.00 C ATOM 1176 CG2 VAL B 35 -9.125 6.790 15.881 1.00 0.00 C ATOM 0 H VAL B 35 -9.373 4.181 16.751 1.00 0.00 H new ATOM 0 HA VAL B 35 -10.163 6.446 18.412 1.00 0.00 H new ATOM 0 HB VAL B 35 -10.901 5.640 15.607 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -11.494 8.025 15.352 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -12.486 7.219 16.591 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -11.149 8.287 17.078 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -9.185 7.270 14.904 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -8.709 7.491 16.605 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -8.483 5.912 15.815 1.00 0.00 H new ATOM 1186 N GLY B 36 -12.580 4.607 17.210 1.00 0.00 N ATOM 1187 CA GLY B 36 -13.901 4.077 17.502 1.00 0.00 C ATOM 1188 C GLY B 36 -14.682 5.023 18.416 1.00 0.00 C ATOM 1189 O GLY B 36 -15.329 4.582 19.364 1.00 0.00 O ATOM 0 H GLY B 36 -12.282 4.501 16.240 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -14.450 3.928 16.572 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -13.808 3.101 17.978 1.00 0.00 H new ATOM 1193 N GLU B 37 -14.596 6.306 18.098 1.00 0.00 N ATOM 1194 CA GLU B 37 -15.287 7.318 18.878 1.00 0.00 C ATOM 1195 C GLU B 37 -16.802 7.152 18.742 1.00 0.00 C ATOM 1196 O GLU B 37 -17.276 6.128 18.251 1.00 0.00 O ATOM 1197 CB GLU B 37 -14.851 8.724 18.462 1.00 0.00 C ATOM 1198 CG GLU B 37 -15.247 9.015 17.013 1.00 0.00 C ATOM 1199 CD GLU B 37 -15.986 10.350 16.904 1.00 0.00 C ATOM 1200 OE1 GLU B 37 -15.848 11.209 17.788 1.00 0.00 O ATOM 1201 OE2 GLU B 37 -16.724 10.481 15.854 1.00 0.00 O ATOM 0 H GLU B 37 -14.058 6.668 17.311 1.00 0.00 H new ATOM 0 HA GLU B 37 -15.019 7.185 19.926 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -15.308 9.461 19.123 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -13.771 8.822 18.574 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -14.356 9.036 16.386 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -15.882 8.212 16.637 1.00 0.00 H new ATOM 1209 N ARG B 38 -17.520 8.173 19.186 1.00 0.00 N ATOM 1210 CA ARG B 38 -18.971 8.153 19.119 1.00 0.00 C ATOM 1211 C ARG B 38 -19.505 6.799 19.594 1.00 0.00 C ATOM 1212 O ARG B 38 -19.529 6.523 20.792 1.00 0.00 O ATOM 1213 CB ARG B 38 -19.461 8.415 17.694 1.00 0.00 C ATOM 1214 CG ARG B 38 -20.986 8.526 17.651 1.00 0.00 C ATOM 1215 CD ARG B 38 -21.425 9.724 16.806 1.00 0.00 C ATOM 1216 NE ARG B 38 -22.716 9.432 16.144 1.00 0.00 N ATOM 1217 CZ ARG B 38 -22.856 8.592 15.097 1.00 0.00 C ATOM 1218 NH1 ARG B 38 -21.784 7.953 14.582 1.00 0.00 N ATOM 1219 NH2 ARG B 38 -24.058 8.404 14.583 1.00 0.00 N ATOM 0 H ARG B 38 -17.124 9.020 19.594 1.00 0.00 H new ATOM 0 HA ARG B 38 -19.344 8.944 19.770 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -19.015 9.335 17.315 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -19.133 7.608 17.039 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -21.409 7.610 17.238 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -21.375 8.629 18.664 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -21.522 10.608 17.436 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -20.666 9.949 16.057 1.00 0.00 H new ATOM 0 HE ARG B 38 -23.552 9.894 16.501 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -20.859 8.103 14.984 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -21.899 7.320 13.791 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -24.863 8.890 14.977 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -24.181 7.772 13.792 1.00 0.00 H new TER 1232 ARG B 38