USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 716 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: B 29 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.43) USER MOD Set 1.2: B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 12 HIS :FLIP no HD1:sc= -3.28 F(o=-8.6!,f=-6.7) USER MOD Set 2.2: B 13 HIS : no HD1:sc= -3.43 K(o=-6.7,f=-10!) USER MOD Set 3.1: B 5 HIS :FLIP no HD1:sc= -8.85! C(o=-16!,f=-15!) USER MOD Set 3.2: B 6 HIS : no HD1:sc= -5.78! C(o=-15!,f=-16!) USER MOD Set 4.1: A 29 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.42) USER MOD Set 4.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 12 HIS :FLIP no HD1:sc= -3.13 F(o=-8.7!,f=-6.5) USER MOD Set 5.2: A 13 HIS : no HD1:sc= -3.39 K(o=-6.5,f=-9.8!) USER MOD Set 6.1: A 5 HIS :FLIP no HD1:sc= -8.79! C(o=-16!,f=-15!) USER MOD Set 6.2: A 6 HIS : no HD1:sc= -5.96! C(o=-15!,f=-16!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -123:sc= 0.181 (180deg=-1.8!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 11 SER OG : rot -63:sc= 0.875 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.0045) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -5.34! C(o=-5.3!,f=-5.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 50:sc= 0.145 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -128:sc= 0.158 (180deg=-1.75!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : B 11 SER OG : rot -61:sc= 0.919 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.0043) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-5.9!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 47:sc= 0.195 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.2!) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -34.221 7.029 2.858 1.00 0.00 N ATOM 2 CA ALA A 1 -33.323 5.895 2.517 1.00 0.00 C ATOM 3 C ALA A 1 -32.871 5.157 3.772 1.00 0.00 C ATOM 4 O ALA A 1 -32.236 5.738 4.651 1.00 0.00 O ATOM 5 CB ALA A 1 -32.116 6.394 1.736 1.00 0.00 C ATOM 0 H1 ALA A 1 -34.514 7.514 1.986 1.00 0.00 H new ATOM 0 H2 ALA A 1 -35.062 6.669 3.353 1.00 0.00 H new ATOM 0 H3 ALA A 1 -33.717 7.698 3.474 1.00 0.00 H new ATOM 0 HA ALA A 1 -33.882 5.196 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -31.467 5.553 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -32.451 6.872 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -31.565 7.115 2.340 1.00 0.00 H new ATOM 13 N LEU A 2 -33.203 3.872 3.849 1.00 0.00 N ATOM 14 CA LEU A 2 -32.832 3.053 4.996 1.00 0.00 C ATOM 15 C LEU A 2 -32.159 1.761 4.549 1.00 0.00 C ATOM 16 O LEU A 2 -32.825 0.818 4.121 1.00 0.00 O ATOM 17 CB LEU A 2 -34.067 2.734 5.841 1.00 0.00 C ATOM 18 CG LEU A 2 -35.302 2.310 5.046 1.00 0.00 C ATOM 19 CD1 LEU A 2 -36.185 1.393 5.878 1.00 0.00 C ATOM 20 CD2 LEU A 2 -36.084 3.533 4.588 1.00 0.00 C ATOM 0 H LEU A 2 -33.729 3.376 3.130 1.00 0.00 H new ATOM 0 HA LEU A 2 -32.123 3.619 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -33.814 1.938 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -34.320 3.613 6.434 1.00 0.00 H new ATOM 0 HG LEU A 2 -34.972 1.760 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -37.059 1.102 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -35.623 0.502 6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -36.507 1.917 6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -36.960 3.214 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -36.402 4.108 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -35.450 4.154 3.955 1.00 0.00 H new ATOM 32 N LYS A 3 -30.834 1.723 4.650 1.00 0.00 N ATOM 33 CA LYS A 3 -30.071 0.545 4.255 1.00 0.00 C ATOM 34 C LYS A 3 -28.974 0.243 5.272 1.00 0.00 C ATOM 35 O LYS A 3 -29.101 -0.676 6.082 1.00 0.00 O ATOM 36 CB LYS A 3 -29.456 0.752 2.869 1.00 0.00 C ATOM 37 CG LYS A 3 -29.857 -0.314 1.863 1.00 0.00 C ATOM 38 CD LYS A 3 -31.308 -0.162 1.438 1.00 0.00 C ATOM 39 CE LYS A 3 -31.540 1.147 0.701 1.00 0.00 C ATOM 40 NZ LYS A 3 -32.598 1.970 1.347 1.00 0.00 N ATOM 0 H LYS A 3 -30.267 2.494 5.002 1.00 0.00 H new ATOM 0 HA LYS A 3 -30.752 -0.305 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.755 1.729 2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -28.370 0.764 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -29.212 -0.250 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -29.706 -1.302 2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.589 -0.997 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.952 -0.205 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.610 1.714 0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -31.823 0.937 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -33.349 2.174 0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -33.000 1.449 2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -32.186 2.863 1.684 1.00 0.00 H new ATOM 54 N LYS A 4 -27.899 1.022 5.223 1.00 0.00 N ATOM 55 CA LYS A 4 -26.778 0.841 6.139 1.00 0.00 C ATOM 56 C LYS A 4 -26.046 -0.475 5.875 1.00 0.00 C ATOM 57 O LYS A 4 -25.229 -0.907 6.688 1.00 0.00 O ATOM 58 CB LYS A 4 -27.268 0.882 7.588 1.00 0.00 C ATOM 59 CG LYS A 4 -26.728 2.062 8.380 1.00 0.00 C ATOM 60 CD LYS A 4 -27.132 1.982 9.843 1.00 0.00 C ATOM 61 CE LYS A 4 -26.781 3.259 10.589 1.00 0.00 C ATOM 62 NZ LYS A 4 -25.313 3.393 10.801 1.00 0.00 N ATOM 0 H LYS A 4 -27.780 1.786 4.558 1.00 0.00 H new ATOM 0 HA LYS A 4 -26.076 1.658 5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -28.357 0.920 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -26.978 -0.043 8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -25.641 2.087 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.100 2.992 7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -28.204 1.800 9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -26.632 1.135 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -27.147 4.119 10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -27.289 3.268 11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -25.115 4.276 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -24.968 2.585 11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -24.829 3.411 9.880 1.00 0.00 H new ATOM 76 N HIS A 5 -26.331 -1.106 4.739 1.00 0.00 N ATOM 77 CA HIS A 5 -25.685 -2.364 4.387 1.00 0.00 C ATOM 78 C HIS A 5 -24.462 -2.109 3.511 1.00 0.00 C ATOM 79 O HIS A 5 -23.456 -2.815 3.605 1.00 0.00 O ATOM 80 CB HIS A 5 -26.672 -3.294 3.672 1.00 0.00 C ATOM 81 CG HIS A 5 -26.954 -2.912 2.251 1.00 0.00 C ATOM 82 ND1 HIS A 5 -27.296 -1.721 1.702 1.00 0.00 N flip ATOM 83 CD2 HIS A 5 -26.902 -3.811 1.206 1.00 0.00 C flip ATOM 84 CE1 HIS A 5 -27.442 -1.923 0.352 1.00 0.00 C flip ATOM 85 NE2 HIS A 5 -27.198 -3.191 0.078 1.00 0.00 N flip ATOM 0 H HIS A 5 -27.002 -0.767 4.050 1.00 0.00 H new ATOM 0 HA HIS A 5 -25.357 -2.851 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -26.277 -4.310 3.692 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -27.610 -3.306 4.227 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -26.657 -4.859 1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -27.713 -1.166 -0.370 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -27.232 -3.619 -0.847 1.00 0.00 H new ATOM 94 N HIS A 6 -24.553 -1.086 2.668 1.00 0.00 N ATOM 95 CA HIS A 6 -23.454 -0.727 1.781 1.00 0.00 C ATOM 96 C HIS A 6 -22.252 -0.253 2.588 1.00 0.00 C ATOM 97 O HIS A 6 -21.111 -0.362 2.142 1.00 0.00 O ATOM 98 CB HIS A 6 -23.892 0.365 0.804 1.00 0.00 C ATOM 99 CG HIS A 6 -24.577 -0.164 -0.418 1.00 0.00 C ATOM 100 ND1 HIS A 6 -24.924 -1.491 -0.573 1.00 0.00 N ATOM 101 CD2 HIS A 6 -24.978 0.462 -1.550 1.00 0.00 C ATOM 102 CE1 HIS A 6 -25.508 -1.657 -1.747 1.00 0.00 C ATOM 103 NE2 HIS A 6 -25.554 -0.487 -2.358 1.00 0.00 N ATOM 0 H HIS A 6 -25.377 -0.491 2.581 1.00 0.00 H new ATOM 0 HA HIS A 6 -23.168 -1.612 1.213 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.564 1.053 1.318 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.018 0.941 0.500 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.866 1.512 -1.775 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -25.884 -2.590 -2.140 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -25.953 -0.316 -3.281 1.00 0.00 H new ATOM 112 N GLU A 7 -22.517 0.269 3.781 1.00 0.00 N ATOM 113 CA GLU A 7 -21.456 0.756 4.654 1.00 0.00 C ATOM 114 C GLU A 7 -20.652 -0.408 5.219 1.00 0.00 C ATOM 115 O GLU A 7 -19.427 -0.338 5.321 1.00 0.00 O ATOM 116 CB GLU A 7 -22.041 1.592 5.793 1.00 0.00 C ATOM 117 CG GLU A 7 -21.468 2.997 5.873 1.00 0.00 C ATOM 118 CD GLU A 7 -20.123 3.041 6.573 1.00 0.00 C ATOM 119 OE1 GLU A 7 -20.105 3.166 7.816 1.00 0.00 O ATOM 120 OE2 GLU A 7 -19.090 2.949 5.879 1.00 0.00 O ATOM 0 H GLU A 7 -23.457 0.365 4.165 1.00 0.00 H new ATOM 0 HA GLU A 7 -20.791 1.386 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.122 1.656 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -21.860 1.080 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.362 3.400 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -22.170 3.642 6.402 1.00 0.00 H new ATOM 127 N ASN A 8 -21.348 -1.481 5.579 1.00 0.00 N ATOM 128 CA ASN A 8 -20.696 -2.665 6.124 1.00 0.00 C ATOM 129 C ASN A 8 -19.749 -3.270 5.096 1.00 0.00 C ATOM 130 O ASN A 8 -18.606 -3.609 5.408 1.00 0.00 O ATOM 131 CB ASN A 8 -21.739 -3.699 6.551 1.00 0.00 C ATOM 132 CG ASN A 8 -22.406 -3.340 7.864 1.00 0.00 C ATOM 133 OD1 ASN A 8 -21.779 -3.373 8.923 1.00 0.00 O ATOM 134 ND2 ASN A 8 -23.687 -2.993 7.801 1.00 0.00 N ATOM 0 H ASN A 8 -22.363 -1.555 5.503 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.119 -2.368 7.000 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.498 -3.788 5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -21.262 -4.675 6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -24.189 -2.740 8.652 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -24.168 -2.979 6.902 1.00 0.00 H new ATOM 141 N GLU A 9 -20.230 -3.396 3.862 1.00 0.00 N ATOM 142 CA GLU A 9 -19.419 -3.952 2.788 1.00 0.00 C ATOM 143 C GLU A 9 -18.169 -3.113 2.582 1.00 0.00 C ATOM 144 O GLU A 9 -17.059 -3.643 2.534 1.00 0.00 O ATOM 145 CB GLU A 9 -20.225 -4.029 1.490 1.00 0.00 C ATOM 146 CG GLU A 9 -21.008 -5.322 1.336 1.00 0.00 C ATOM 147 CD GLU A 9 -22.432 -5.206 1.847 1.00 0.00 C ATOM 148 OE1 GLU A 9 -23.257 -4.567 1.161 1.00 0.00 O ATOM 149 OE2 GLU A 9 -22.721 -5.753 2.932 1.00 0.00 O ATOM 0 H GLU A 9 -21.172 -3.122 3.584 1.00 0.00 H new ATOM 0 HA GLU A 9 -19.121 -4.962 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -20.917 -3.188 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -19.546 -3.922 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -21.025 -5.609 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -20.496 -6.119 1.875 1.00 0.00 H new ATOM 156 N ILE A 10 -18.344 -1.799 2.483 1.00 0.00 N ATOM 157 CA ILE A 10 -17.207 -0.913 2.309 1.00 0.00 C ATOM 158 C ILE A 10 -16.387 -0.842 3.594 1.00 0.00 C ATOM 159 O ILE A 10 -15.248 -0.388 3.587 1.00 0.00 O ATOM 160 CB ILE A 10 -17.630 0.500 1.872 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.537 1.151 2.916 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.330 0.439 0.526 1.00 0.00 C ATOM 163 CD1 ILE A 10 -19.121 2.471 2.456 1.00 0.00 C ATOM 0 H ILE A 10 -19.250 -1.333 2.520 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.594 -1.331 1.511 1.00 0.00 H new ATOM 0 HB ILE A 10 -16.733 1.113 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.349 0.467 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.969 1.311 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.626 1.444 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.652 0.022 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -19.215 -0.192 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.755 2.882 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.313 3.170 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.715 2.312 1.556 1.00 0.00 H new ATOM 175 N SER A 11 -16.953 -1.327 4.696 1.00 0.00 N ATOM 176 CA SER A 11 -16.234 -1.342 5.957 1.00 0.00 C ATOM 177 C SER A 11 -15.097 -2.349 5.856 1.00 0.00 C ATOM 178 O SER A 11 -13.971 -2.092 6.294 1.00 0.00 O ATOM 179 CB SER A 11 -17.169 -1.707 7.111 1.00 0.00 C ATOM 180 OG SER A 11 -17.200 -3.108 7.322 1.00 0.00 O ATOM 0 H SER A 11 -17.897 -1.710 4.737 1.00 0.00 H new ATOM 0 HA SER A 11 -15.833 -0.349 6.158 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.840 -1.207 8.022 1.00 0.00 H new ATOM 0 HB3 SER A 11 -18.175 -1.347 6.895 1.00 0.00 H new ATOM 0 HG SER A 11 -17.561 -3.551 6.526 1.00 0.00 H new ATOM 186 N HIS A 12 -15.397 -3.493 5.243 1.00 0.00 N ATOM 187 CA HIS A 12 -14.401 -4.536 5.051 1.00 0.00 C ATOM 188 C HIS A 12 -13.352 -4.064 4.037 1.00 0.00 C ATOM 189 O HIS A 12 -12.150 -4.221 4.253 1.00 0.00 O ATOM 190 CB HIS A 12 -15.099 -5.851 4.624 1.00 0.00 C ATOM 191 CG HIS A 12 -14.560 -6.510 3.384 1.00 0.00 C ATOM 192 ND1 HIS A 12 -15.073 -6.594 2.135 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -13.356 -7.184 3.350 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -14.179 -7.309 1.377 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -13.152 -7.653 2.131 1.00 0.00 N flip ATOM 0 H HIS A 12 -16.321 -3.717 4.873 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.877 -4.740 5.985 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.029 -6.561 5.448 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -16.158 -5.644 4.471 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.686 -7.309 4.188 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.297 -7.551 0.331 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -12.340 -8.189 1.825 1.00 0.00 H new ATOM 204 N HIS A 13 -13.818 -3.471 2.939 1.00 0.00 N ATOM 205 CA HIS A 13 -12.917 -2.965 1.910 1.00 0.00 C ATOM 206 C HIS A 13 -12.000 -1.900 2.491 1.00 0.00 C ATOM 207 O HIS A 13 -10.885 -1.702 2.015 1.00 0.00 O ATOM 208 CB HIS A 13 -13.697 -2.369 0.739 1.00 0.00 C ATOM 209 CG HIS A 13 -14.731 -3.280 0.166 1.00 0.00 C ATOM 210 ND1 HIS A 13 -14.627 -4.655 0.183 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.899 -2.999 -0.451 1.00 0.00 C ATOM 212 CE1 HIS A 13 -15.690 -5.180 -0.401 1.00 0.00 C ATOM 213 NE2 HIS A 13 -16.477 -4.196 -0.794 1.00 0.00 N ATOM 0 H HIS A 13 -14.809 -3.331 2.741 1.00 0.00 H new ATOM 0 HA HIS A 13 -12.324 -3.804 1.547 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -14.181 -1.450 1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.995 -2.094 -0.048 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.303 -2.015 -0.640 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.882 -6.234 -0.534 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -17.370 -4.307 -1.275 1.00 0.00 H new ATOM 222 N ALA A 14 -12.477 -1.219 3.528 1.00 0.00 N ATOM 223 CA ALA A 14 -11.694 -0.180 4.179 1.00 0.00 C ATOM 224 C ALA A 14 -10.495 -0.797 4.874 1.00 0.00 C ATOM 225 O ALA A 14 -9.367 -0.336 4.715 1.00 0.00 O ATOM 226 CB ALA A 14 -12.551 0.596 5.168 1.00 0.00 C ATOM 0 H ALA A 14 -13.401 -1.369 3.934 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.338 0.519 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.947 1.368 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.385 1.060 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.936 -0.084 5.928 1.00 0.00 H new ATOM 232 N LYS A 15 -10.746 -1.861 5.626 1.00 0.00 N ATOM 233 CA LYS A 15 -9.676 -2.558 6.321 1.00 0.00 C ATOM 234 C LYS A 15 -8.751 -3.246 5.315 1.00 0.00 C ATOM 235 O LYS A 15 -7.626 -3.618 5.648 1.00 0.00 O ATOM 236 CB LYS A 15 -10.253 -3.589 7.293 1.00 0.00 C ATOM 237 CG LYS A 15 -10.808 -2.977 8.568 1.00 0.00 C ATOM 238 CD LYS A 15 -12.088 -3.668 9.007 1.00 0.00 C ATOM 239 CE LYS A 15 -11.823 -4.687 10.104 1.00 0.00 C ATOM 240 NZ LYS A 15 -12.350 -6.035 9.750 1.00 0.00 N ATOM 0 H LYS A 15 -11.675 -2.257 5.769 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.099 -1.827 6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.045 -4.145 6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.475 -4.307 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.064 -3.049 9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.002 -1.916 8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.800 -2.924 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.547 -4.164 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.750 -4.753 10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.284 -4.349 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.149 -6.700 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.378 -5.978 9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.892 -6.369 8.878 1.00 0.00 H new ATOM 254 N GLU A 16 -9.236 -3.416 4.082 1.00 0.00 N ATOM 255 CA GLU A 16 -8.456 -4.061 3.031 1.00 0.00 C ATOM 256 C GLU A 16 -7.401 -3.115 2.458 1.00 0.00 C ATOM 257 O GLU A 16 -6.239 -3.493 2.312 1.00 0.00 O ATOM 258 CB GLU A 16 -9.377 -4.553 1.914 1.00 0.00 C ATOM 259 CG GLU A 16 -10.306 -5.677 2.343 1.00 0.00 C ATOM 260 CD GLU A 16 -9.651 -7.042 2.246 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.081 -7.353 1.180 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.710 -7.800 3.237 1.00 0.00 O ATOM 0 H GLU A 16 -10.166 -3.115 3.790 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.941 -4.913 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.975 -3.716 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.769 -4.895 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.629 -5.505 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.201 -5.662 1.721 1.00 0.00 H new ATOM 269 N ILE A 17 -7.803 -1.887 2.130 1.00 0.00 N ATOM 270 CA ILE A 17 -6.871 -0.912 1.575 1.00 0.00 C ATOM 271 C ILE A 17 -5.936 -0.384 2.659 1.00 0.00 C ATOM 272 O ILE A 17 -4.800 0.001 2.382 1.00 0.00 O ATOM 273 CB ILE A 17 -7.613 0.269 0.916 1.00 0.00 C ATOM 274 CG1 ILE A 17 -6.613 1.293 0.370 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.564 0.921 1.909 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.258 2.575 -0.111 1.00 0.00 C ATOM 0 H ILE A 17 -8.759 -1.548 2.238 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.286 -1.423 0.810 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.200 -0.113 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.888 1.531 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.059 0.843 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.079 1.752 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.296 0.187 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.999 1.291 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.489 3.252 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.962 2.350 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.788 3.048 0.716 1.00 0.00 H new ATOM 288 N GLU A 18 -6.419 -0.383 3.896 1.00 0.00 N ATOM 289 CA GLU A 18 -5.626 0.082 5.025 1.00 0.00 C ATOM 290 C GLU A 18 -4.647 -1.001 5.463 1.00 0.00 C ATOM 291 O GLU A 18 -3.544 -0.708 5.927 1.00 0.00 O ATOM 292 CB GLU A 18 -6.533 0.473 6.193 1.00 0.00 C ATOM 293 CG GLU A 18 -5.991 1.622 7.027 1.00 0.00 C ATOM 294 CD GLU A 18 -5.398 1.158 8.344 1.00 0.00 C ATOM 295 OE1 GLU A 18 -6.179 0.851 9.269 1.00 0.00 O ATOM 296 OE2 GLU A 18 -4.155 1.101 8.448 1.00 0.00 O ATOM 0 H GLU A 18 -7.357 -0.700 4.142 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.063 0.962 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.513 0.748 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.677 -0.395 6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.229 2.152 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.793 2.333 7.224 1.00 0.00 H new ATOM 303 N ARG A 19 -5.058 -2.254 5.303 1.00 0.00 N ATOM 304 CA ARG A 19 -4.219 -3.386 5.671 1.00 0.00 C ATOM 305 C ARG A 19 -3.038 -3.509 4.716 1.00 0.00 C ATOM 306 O ARG A 19 -1.897 -3.701 5.141 1.00 0.00 O ATOM 307 CB ARG A 19 -5.036 -4.679 5.664 1.00 0.00 C ATOM 308 CG ARG A 19 -4.214 -5.920 5.973 1.00 0.00 C ATOM 309 CD ARG A 19 -4.870 -7.174 5.418 1.00 0.00 C ATOM 310 NE ARG A 19 -4.230 -8.391 5.911 1.00 0.00 N ATOM 311 CZ ARG A 19 -4.482 -9.602 5.425 1.00 0.00 C ATOM 312 NH1 ARG A 19 -5.354 -9.755 4.439 1.00 0.00 N ATOM 313 NH2 ARG A 19 -3.860 -10.661 5.926 1.00 0.00 N ATOM 0 H ARG A 19 -5.968 -2.511 4.920 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.837 -3.217 6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.840 -4.595 6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.504 -4.798 4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.216 -5.812 5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.093 -6.018 7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.925 -7.183 5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.824 -7.156 4.329 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.553 -8.307 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.833 -8.942 4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.546 -10.685 4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.188 -10.546 6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.054 -11.590 5.553 1.00 0.00 H new ATOM 327 N LEU A 20 -3.316 -3.383 3.420 1.00 0.00 N ATOM 328 CA LEU A 20 -2.269 -3.471 2.417 1.00 0.00 C ATOM 329 C LEU A 20 -1.310 -2.299 2.558 1.00 0.00 C ATOM 330 O LEU A 20 -0.101 -2.451 2.397 1.00 0.00 O ATOM 331 CB LEU A 20 -2.875 -3.494 1.013 1.00 0.00 C ATOM 332 CG LEU A 20 -3.985 -4.526 0.805 1.00 0.00 C ATOM 333 CD1 LEU A 20 -5.004 -4.018 -0.203 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.398 -5.852 0.349 1.00 0.00 C ATOM 0 H LEU A 20 -4.251 -3.221 3.047 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.716 -4.398 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.273 -2.504 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.080 -3.688 0.293 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.493 -4.683 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.786 -4.765 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.447 -3.092 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.511 -3.832 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.201 -6.575 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.865 -5.710 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.706 -6.223 1.105 1.00 0.00 H new ATOM 346 N GLN A 21 -1.862 -1.129 2.867 1.00 0.00 N ATOM 347 CA GLN A 21 -1.057 0.074 3.039 1.00 0.00 C ATOM 348 C GLN A 21 -0.082 -0.096 4.198 1.00 0.00 C ATOM 349 O GLN A 21 1.037 0.415 4.162 1.00 0.00 O ATOM 350 CB GLN A 21 -1.958 1.286 3.285 1.00 0.00 C ATOM 351 CG GLN A 21 -1.193 2.554 3.624 1.00 0.00 C ATOM 352 CD GLN A 21 -2.106 3.688 4.051 1.00 0.00 C ATOM 353 OE1 GLN A 21 -2.013 4.802 3.536 1.00 0.00 O ATOM 354 NE2 GLN A 21 -2.994 3.409 4.998 1.00 0.00 N ATOM 0 H GLN A 21 -2.863 -0.990 3.003 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.486 0.239 2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.564 1.464 2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.646 1.058 4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.483 2.343 4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.612 2.867 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.036 2.471 5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.634 4.132 5.326 1.00 0.00 H new ATOM 363 N LYS A 22 -0.512 -0.825 5.223 1.00 0.00 N ATOM 364 CA LYS A 22 0.330 -1.070 6.387 1.00 0.00 C ATOM 365 C LYS A 22 1.560 -1.877 5.993 1.00 0.00 C ATOM 366 O LYS A 22 2.692 -1.507 6.311 1.00 0.00 O ATOM 367 CB LYS A 22 -0.459 -1.812 7.468 1.00 0.00 C ATOM 368 CG LYS A 22 0.307 -1.986 8.769 1.00 0.00 C ATOM 369 CD LYS A 22 0.018 -3.335 9.409 1.00 0.00 C ATOM 370 CE LYS A 22 -1.467 -3.511 9.689 1.00 0.00 C ATOM 371 NZ LYS A 22 -1.715 -4.522 10.754 1.00 0.00 N ATOM 0 H LYS A 22 -1.436 -1.255 5.271 1.00 0.00 H new ATOM 0 HA LYS A 22 0.654 -0.109 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.382 -1.269 7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.743 -2.794 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.376 -1.894 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.037 -1.188 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.363 -4.133 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.578 -3.425 10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.896 -2.555 9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.975 -3.815 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.738 -4.613 10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.329 -5.441 10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.251 -4.220 11.634 1.00 0.00 H new ATOM 385 N GLU A 23 1.332 -2.983 5.291 1.00 0.00 N ATOM 386 CA GLU A 23 2.423 -3.842 4.846 1.00 0.00 C ATOM 387 C GLU A 23 3.428 -3.054 4.010 1.00 0.00 C ATOM 388 O GLU A 23 4.642 -3.203 4.170 1.00 0.00 O ATOM 389 CB GLU A 23 1.876 -5.018 4.033 1.00 0.00 C ATOM 390 CG GLU A 23 2.886 -6.134 3.822 1.00 0.00 C ATOM 391 CD GLU A 23 2.949 -7.092 4.995 1.00 0.00 C ATOM 392 OE1 GLU A 23 2.081 -7.986 5.079 1.00 0.00 O ATOM 393 OE2 GLU A 23 3.867 -6.950 5.830 1.00 0.00 O ATOM 0 H GLU A 23 0.403 -3.305 5.019 1.00 0.00 H new ATOM 0 HA GLU A 23 2.933 -4.227 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.000 -5.423 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.542 -4.653 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.627 -6.687 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.872 -5.700 3.658 1.00 0.00 H new ATOM 400 N ILE A 24 2.916 -2.208 3.120 1.00 0.00 N ATOM 401 CA ILE A 24 3.779 -1.396 2.269 1.00 0.00 C ATOM 402 C ILE A 24 4.587 -0.426 3.127 1.00 0.00 C ATOM 403 O ILE A 24 5.709 -0.059 2.784 1.00 0.00 O ATOM 404 CB ILE A 24 2.978 -0.636 1.162 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.560 0.777 1.596 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.750 -1.430 0.742 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.475 1.856 1.062 1.00 0.00 C ATOM 0 H ILE A 24 1.917 -2.068 2.970 1.00 0.00 H new ATOM 0 HA ILE A 24 4.462 -2.068 1.749 1.00 0.00 H new ATOM 0 HB ILE A 24 3.652 -0.531 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.543 0.970 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.546 0.827 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.208 -0.882 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.060 -2.398 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.101 -1.580 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.126 2.831 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.489 1.686 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.470 1.831 -0.028 1.00 0.00 H new ATOM 419 N GLU A 25 3.999 -0.027 4.254 1.00 0.00 N ATOM 420 CA GLU A 25 4.654 0.888 5.177 1.00 0.00 C ATOM 421 C GLU A 25 5.944 0.272 5.697 1.00 0.00 C ATOM 422 O GLU A 25 6.989 0.919 5.720 1.00 0.00 O ATOM 423 CB GLU A 25 3.725 1.224 6.344 1.00 0.00 C ATOM 424 CG GLU A 25 4.137 2.473 7.109 1.00 0.00 C ATOM 425 CD GLU A 25 3.710 2.433 8.563 1.00 0.00 C ATOM 426 OE1 GLU A 25 4.450 1.851 9.384 1.00 0.00 O ATOM 427 OE2 GLU A 25 2.636 2.985 8.882 1.00 0.00 O ATOM 0 H GLU A 25 3.069 -0.326 4.547 1.00 0.00 H new ATOM 0 HA GLU A 25 4.891 1.809 4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.712 1.358 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.699 0.379 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.220 2.587 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.700 3.349 6.630 1.00 0.00 H new ATOM 434 N ARG A 26 5.868 -0.990 6.100 1.00 0.00 N ATOM 435 CA ARG A 26 7.039 -1.694 6.602 1.00 0.00 C ATOM 436 C ARG A 26 8.133 -1.711 5.541 1.00 0.00 C ATOM 437 O ARG A 26 9.301 -1.428 5.824 1.00 0.00 O ATOM 438 CB ARG A 26 6.672 -3.124 7.002 1.00 0.00 C ATOM 439 CG ARG A 26 7.870 -3.974 7.392 1.00 0.00 C ATOM 440 CD ARG A 26 7.513 -5.451 7.446 1.00 0.00 C ATOM 441 NE ARG A 26 8.682 -6.288 7.698 1.00 0.00 N ATOM 442 CZ ARG A 26 8.661 -7.616 7.650 1.00 0.00 C ATOM 443 NH1 ARG A 26 7.536 -8.254 7.359 1.00 0.00 N ATOM 444 NH2 ARG A 26 9.766 -8.307 7.893 1.00 0.00 N ATOM 0 H ARG A 26 5.012 -1.544 6.089 1.00 0.00 H new ATOM 0 HA ARG A 26 7.409 -1.171 7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.973 -3.090 7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.153 -3.603 6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.676 -3.820 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.244 -3.653 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.773 -5.617 8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.052 -5.747 6.504 1.00 0.00 H new ATOM 0 HE ARG A 26 9.564 -5.828 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.684 -7.726 7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.522 -9.273 7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.633 -7.819 8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.749 -9.326 7.856 1.00 0.00 H new ATOM 458 N HIS A 27 7.744 -2.034 4.310 1.00 0.00 N ATOM 459 CA HIS A 27 8.688 -2.077 3.203 1.00 0.00 C ATOM 460 C HIS A 27 9.219 -0.683 2.883 1.00 0.00 C ATOM 461 O HIS A 27 10.282 -0.541 2.279 1.00 0.00 O ATOM 462 CB HIS A 27 8.028 -2.682 1.964 1.00 0.00 C ATOM 463 CG HIS A 27 8.602 -4.007 1.568 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.902 -4.165 1.138 1.00 0.00 N ATOM 465 CD2 HIS A 27 8.046 -5.242 1.540 1.00 0.00 C ATOM 466 CE1 HIS A 27 10.121 -5.439 0.862 1.00 0.00 C ATOM 467 NE2 HIS A 27 9.011 -6.111 1.099 1.00 0.00 N ATOM 0 H HIS A 27 6.784 -2.269 4.057 1.00 0.00 H new ATOM 0 HA HIS A 27 9.528 -2.705 3.501 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.961 -2.799 2.151 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.131 -1.987 1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.032 -5.495 1.814 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.050 -5.858 0.504 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.890 -7.116 0.974 1.00 0.00 H new ATOM 476 N LYS A 28 8.475 0.345 3.290 1.00 0.00 N ATOM 477 CA LYS A 28 8.886 1.722 3.038 1.00 0.00 C ATOM 478 C LYS A 28 9.918 2.175 4.067 1.00 0.00 C ATOM 479 O LYS A 28 10.731 3.058 3.798 1.00 0.00 O ATOM 480 CB LYS A 28 7.662 2.661 3.013 1.00 0.00 C ATOM 481 CG LYS A 28 7.299 3.298 4.353 1.00 0.00 C ATOM 482 CD LYS A 28 7.621 4.784 4.364 1.00 0.00 C ATOM 483 CE LYS A 28 7.490 5.371 5.760 1.00 0.00 C ATOM 484 NZ LYS A 28 6.169 6.026 5.966 1.00 0.00 N ATOM 0 H LYS A 28 7.592 0.250 3.791 1.00 0.00 H new ATOM 0 HA LYS A 28 9.357 1.767 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.849 3.456 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.801 2.099 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.237 3.152 4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.844 2.800 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.635 4.941 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.950 5.308 3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.623 4.581 6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.285 6.098 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.120 6.413 6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.052 6.796 5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.411 5.327 5.835 1.00 0.00 H new ATOM 498 N GLN A 29 9.880 1.557 5.242 1.00 0.00 N ATOM 499 CA GLN A 29 10.816 1.890 6.307 1.00 0.00 C ATOM 500 C GLN A 29 12.195 1.335 5.985 1.00 0.00 C ATOM 501 O GLN A 29 13.208 2.011 6.164 1.00 0.00 O ATOM 502 CB GLN A 29 10.323 1.336 7.644 1.00 0.00 C ATOM 503 CG GLN A 29 11.288 1.575 8.795 1.00 0.00 C ATOM 504 CD GLN A 29 11.101 0.585 9.927 1.00 0.00 C ATOM 505 OE1 GLN A 29 10.984 -0.619 9.701 1.00 0.00 O ATOM 506 NE2 GLN A 29 11.071 1.089 11.155 1.00 0.00 N ATOM 0 H GLN A 29 9.212 0.824 5.480 1.00 0.00 H new ATOM 0 HA GLN A 29 10.882 2.975 6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.363 1.792 7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.150 0.265 7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.311 1.510 8.426 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.150 2.587 9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.172 2.094 11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.947 0.471 11.957 1.00 0.00 H new ATOM 515 N SER A 30 12.228 0.097 5.499 1.00 0.00 N ATOM 516 CA SER A 30 13.486 -0.546 5.142 1.00 0.00 C ATOM 517 C SER A 30 14.136 0.163 3.956 1.00 0.00 C ATOM 518 O SER A 30 15.322 0.497 3.991 1.00 0.00 O ATOM 519 CB SER A 30 13.253 -2.020 4.807 1.00 0.00 C ATOM 520 OG SER A 30 11.954 -2.226 4.282 1.00 0.00 O ATOM 0 H SER A 30 11.400 -0.478 5.344 1.00 0.00 H new ATOM 0 HA SER A 30 14.158 -0.480 5.997 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.998 -2.354 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.386 -2.625 5.704 1.00 0.00 H new ATOM 0 HG SER A 30 11.784 -1.578 3.566 1.00 0.00 H new ATOM 526 N ILE A 31 13.350 0.392 2.909 1.00 0.00 N ATOM 527 CA ILE A 31 13.846 1.062 1.711 1.00 0.00 C ATOM 528 C ILE A 31 14.176 2.523 1.994 1.00 0.00 C ATOM 529 O ILE A 31 15.033 3.115 1.339 1.00 0.00 O ATOM 530 CB ILE A 31 12.819 0.980 0.565 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.327 1.695 -0.683 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.490 1.579 0.994 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.333 0.892 -1.464 1.00 0.00 C ATOM 0 H ILE A 31 12.367 0.124 2.865 1.00 0.00 H new ATOM 0 HA ILE A 31 14.758 0.547 1.408 1.00 0.00 H new ATOM 0 HB ILE A 31 12.675 -0.074 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.480 1.930 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.778 2.644 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.778 1.512 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.104 1.031 1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.633 2.625 1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.652 1.460 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.197 0.680 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.879 -0.045 -1.786 1.00 0.00 H new ATOM 545 N LYS A 32 13.494 3.098 2.977 1.00 0.00 N ATOM 546 CA LYS A 32 13.718 4.488 3.350 1.00 0.00 C ATOM 547 C LYS A 32 14.967 4.627 4.215 1.00 0.00 C ATOM 548 O LYS A 32 15.545 5.710 4.315 1.00 0.00 O ATOM 549 CB LYS A 32 12.503 5.042 4.097 1.00 0.00 C ATOM 550 CG LYS A 32 12.714 6.442 4.648 1.00 0.00 C ATOM 551 CD LYS A 32 11.463 6.964 5.337 1.00 0.00 C ATOM 552 CE LYS A 32 10.415 7.406 4.328 1.00 0.00 C ATOM 553 NZ LYS A 32 9.619 8.563 4.824 1.00 0.00 N ATOM 0 H LYS A 32 12.781 2.622 3.530 1.00 0.00 H new ATOM 0 HA LYS A 32 13.866 5.062 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.646 5.051 3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.255 4.371 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.544 6.435 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.992 7.115 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.048 6.186 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.725 7.802 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.904 7.676 3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.747 6.573 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.916 8.834 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.132 8.298 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.253 9.367 5.008 1.00 0.00 H new ATOM 567 N LYS A 33 15.379 3.529 4.840 1.00 0.00 N ATOM 568 CA LYS A 33 16.557 3.536 5.698 1.00 0.00 C ATOM 569 C LYS A 33 17.839 3.408 4.882 1.00 0.00 C ATOM 570 O LYS A 33 18.850 4.037 5.198 1.00 0.00 O ATOM 571 CB LYS A 33 16.475 2.400 6.719 1.00 0.00 C ATOM 572 CG LYS A 33 16.942 2.796 8.110 1.00 0.00 C ATOM 573 CD LYS A 33 16.493 1.789 9.156 1.00 0.00 C ATOM 574 CE LYS A 33 15.238 2.257 9.877 1.00 0.00 C ATOM 575 NZ LYS A 33 14.484 1.119 10.472 1.00 0.00 N ATOM 0 H LYS A 33 14.915 2.624 4.768 1.00 0.00 H new ATOM 0 HA LYS A 33 16.581 4.491 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.445 2.049 6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.078 1.563 6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.029 2.874 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.549 3.782 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.303 0.828 8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.293 1.633 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.512 2.962 10.662 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.596 2.792 9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.636 1.479 10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.201 0.459 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.088 0.623 11.158 1.00 0.00 H new ATOM 589 N LEU A 34 17.799 2.592 3.832 1.00 0.00 N ATOM 590 CA LEU A 34 18.967 2.394 2.985 1.00 0.00 C ATOM 591 C LEU A 34 19.101 3.529 1.978 1.00 0.00 C ATOM 592 O LEU A 34 20.202 3.846 1.528 1.00 0.00 O ATOM 593 CB LEU A 34 18.877 1.051 2.261 1.00 0.00 C ATOM 594 CG LEU A 34 19.120 -0.177 3.140 1.00 0.00 C ATOM 595 CD1 LEU A 34 18.476 -1.409 2.526 1.00 0.00 C ATOM 596 CD2 LEU A 34 20.611 -0.398 3.345 1.00 0.00 C ATOM 0 H LEU A 34 16.975 2.061 3.550 1.00 0.00 H new ATOM 0 HA LEU A 34 19.853 2.391 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.889 0.965 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.602 1.045 1.447 1.00 0.00 H new ATOM 0 HG LEU A 34 18.662 -0.000 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.660 -2.272 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.402 -1.249 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.904 -1.590 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 34 20.766 -1.276 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.092 -0.553 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 34 21.045 0.476 3.830 1.00 0.00 H new ATOM 608 N LYS A 35 17.973 4.143 1.631 1.00 0.00 N ATOM 609 CA LYS A 35 17.971 5.248 0.682 1.00 0.00 C ATOM 610 C LYS A 35 18.228 6.571 1.396 1.00 0.00 C ATOM 611 O LYS A 35 18.727 7.524 0.799 1.00 0.00 O ATOM 612 CB LYS A 35 16.639 5.305 -0.069 1.00 0.00 C ATOM 613 CG LYS A 35 15.479 5.796 0.783 1.00 0.00 C ATOM 614 CD LYS A 35 15.109 7.231 0.444 1.00 0.00 C ATOM 615 CE LYS A 35 13.665 7.534 0.807 1.00 0.00 C ATOM 616 NZ LYS A 35 13.039 8.486 -0.153 1.00 0.00 N ATOM 0 H LYS A 35 17.052 3.894 1.992 1.00 0.00 H new ATOM 0 HA LYS A 35 18.773 5.081 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.747 5.960 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.404 4.311 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.614 5.150 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.746 5.727 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.770 7.914 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.262 7.405 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.093 6.607 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.624 7.953 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.055 8.667 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.570 9.380 -0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.055 8.076 -1.109 1.00 0.00 H new ATOM 630 N GLN A 36 17.889 6.621 2.682 1.00 0.00 N ATOM 631 CA GLN A 36 18.089 7.825 3.478 1.00 0.00 C ATOM 632 C GLN A 36 19.499 7.859 4.056 1.00 0.00 C ATOM 633 O GLN A 36 20.042 8.929 4.332 1.00 0.00 O ATOM 634 CB GLN A 36 17.059 7.896 4.606 1.00 0.00 C ATOM 635 CG GLN A 36 17.256 9.083 5.536 1.00 0.00 C ATOM 636 CD GLN A 36 16.120 10.083 5.451 1.00 0.00 C ATOM 637 OE1 GLN A 36 16.045 10.876 4.512 1.00 0.00 O ATOM 638 NE2 GLN A 36 15.228 10.052 6.435 1.00 0.00 N ATOM 0 H GLN A 36 17.475 5.841 3.193 1.00 0.00 H new ATOM 0 HA GLN A 36 17.959 8.689 2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 36 16.060 7.947 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 36 17.107 6.976 5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.345 8.726 6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.194 9.581 5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 36 15.329 9.378 7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.442 10.702 6.432 1.00 0.00 H new ATOM 647 N SER A 37 20.088 6.681 4.235 1.00 0.00 N ATOM 648 CA SER A 37 21.436 6.577 4.778 1.00 0.00 C ATOM 649 C SER A 37 22.478 6.725 3.674 1.00 0.00 C ATOM 650 O SER A 37 23.577 7.228 3.908 1.00 0.00 O ATOM 651 CB SER A 37 21.620 5.237 5.493 1.00 0.00 C ATOM 652 OG SER A 37 22.777 5.248 6.310 1.00 0.00 O ATOM 0 H SER A 37 19.653 5.786 4.012 1.00 0.00 H new ATOM 0 HA SER A 37 21.575 7.385 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.742 5.024 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.699 4.437 4.757 1.00 0.00 H new ATOM 0 HG SER A 37 22.870 4.381 6.757 1.00 0.00 H new ATOM 658 N GLU A 38 22.124 6.287 2.470 1.00 0.00 N ATOM 659 CA GLU A 38 23.029 6.375 1.330 1.00 0.00 C ATOM 660 C GLU A 38 22.906 7.732 0.642 1.00 0.00 C ATOM 661 O GLU A 38 23.841 8.196 -0.008 1.00 0.00 O ATOM 662 CB GLU A 38 22.738 5.254 0.331 1.00 0.00 C ATOM 663 CG GLU A 38 23.988 4.642 -0.280 1.00 0.00 C ATOM 664 CD GLU A 38 24.249 5.133 -1.689 1.00 0.00 C ATOM 665 OE1 GLU A 38 24.189 6.360 -1.912 1.00 0.00 O ATOM 666 OE2 GLU A 38 24.516 4.290 -2.572 1.00 0.00 O ATOM 0 H GLU A 38 21.218 5.868 2.259 1.00 0.00 H new ATOM 0 HA GLU A 38 24.049 6.265 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.168 4.471 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.108 5.645 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.847 4.878 0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.889 3.557 -0.290 1.00 0.00 H new ATOM 673 N ASP A 39 21.745 8.362 0.794 1.00 0.00 N ATOM 674 CA ASP A 39 21.498 9.666 0.190 1.00 0.00 C ATOM 675 C ASP A 39 21.721 10.788 1.200 1.00 0.00 C ATOM 676 O ASP A 39 21.988 11.930 0.825 1.00 0.00 O ATOM 677 CB ASP A 39 20.072 9.735 -0.359 1.00 0.00 C ATOM 678 CG ASP A 39 19.787 11.044 -1.068 1.00 0.00 C ATOM 679 OD1 ASP A 39 20.625 11.465 -1.894 1.00 0.00 O ATOM 680 OD2 ASP A 39 18.728 11.647 -0.800 1.00 0.00 O ATOM 0 H ASP A 39 20.961 7.990 1.330 1.00 0.00 H new ATOM 0 HA ASP A 39 22.204 9.796 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.912 8.908 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.364 9.607 0.460 1.00 0.00 H new ATOM 685 N ASP A 40 21.610 10.457 2.484 1.00 0.00 N ATOM 686 CA ASP A 40 21.800 11.440 3.544 1.00 0.00 C ATOM 687 C ASP A 40 20.855 12.623 3.365 1.00 0.00 C ATOM 688 O ASP A 40 21.084 13.492 2.523 1.00 0.00 O ATOM 689 CB ASP A 40 23.249 11.928 3.562 1.00 0.00 C ATOM 690 CG ASP A 40 24.207 10.877 4.086 1.00 0.00 C ATOM 691 OD1 ASP A 40 24.143 10.566 5.294 1.00 0.00 O ATOM 692 OD2 ASP A 40 25.022 10.366 3.290 1.00 0.00 O ATOM 0 H ASP A 40 21.390 9.517 2.814 1.00 0.00 H new ATOM 0 HA ASP A 40 21.574 10.959 4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 40 23.545 12.215 2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 40 23.321 12.822 4.182 1.00 0.00 H new ATOM 697 N ASP A 41 19.792 12.651 4.163 1.00 0.00 N ATOM 698 CA ASP A 41 18.813 13.729 4.092 1.00 0.00 C ATOM 699 C ASP A 41 17.789 13.609 5.217 1.00 0.00 C ATOM 700 O ASP A 41 16.635 13.228 4.927 1.00 0.00 O ATOM 701 CB ASP A 41 18.102 13.715 2.737 1.00 0.00 C ATOM 702 CG ASP A 41 17.192 14.912 2.549 1.00 0.00 C ATOM 703 OD1 ASP A 41 17.615 16.039 2.883 1.00 0.00 O ATOM 704 OD2 ASP A 41 16.056 14.724 2.066 1.00 0.00 O ATOM 705 OXT ASP A 41 18.150 13.895 6.378 1.00 0.00 O ATOM 0 H ASP A 41 19.587 11.940 4.865 1.00 0.00 H new ATOM 0 HA ASP A 41 19.343 14.674 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.845 13.699 1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.517 12.800 2.646 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 34.221 7.031 -2.856 1.00 0.00 N ATOM 712 CA ALA B 1 33.323 5.897 -2.515 1.00 0.00 C ATOM 713 C ALA B 1 32.871 5.159 -3.770 1.00 0.00 C ATOM 714 O ALA B 1 32.236 5.742 -4.650 1.00 0.00 O ATOM 715 CB ALA B 1 32.117 6.395 -1.733 1.00 0.00 C ATOM 0 H1 ALA B 1 34.514 7.516 -1.984 1.00 0.00 H new ATOM 0 H2 ALA B 1 35.062 6.671 -3.351 1.00 0.00 H new ATOM 0 H3 ALA B 1 33.717 7.700 -3.472 1.00 0.00 H new ATOM 0 HA ALA B 1 33.882 5.198 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA B 1 31.468 5.554 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA B 1 32.452 6.872 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA B 1 31.565 7.117 -2.336 1.00 0.00 H new ATOM 723 N LEU B 2 33.203 3.875 -3.847 1.00 0.00 N ATOM 724 CA LEU B 2 32.831 3.057 -4.996 1.00 0.00 C ATOM 725 C LEU B 2 32.157 1.764 -4.548 1.00 0.00 C ATOM 726 O LEU B 2 32.824 0.820 -4.124 1.00 0.00 O ATOM 727 CB LEU B 2 34.065 2.737 -5.840 1.00 0.00 C ATOM 728 CG LEU B 2 35.301 2.314 -5.046 1.00 0.00 C ATOM 729 CD1 LEU B 2 36.182 1.396 -5.878 1.00 0.00 C ATOM 730 CD2 LEU B 2 36.082 3.537 -4.587 1.00 0.00 C ATOM 0 H LEU B 2 33.729 3.378 -3.128 1.00 0.00 H new ATOM 0 HA LEU B 2 32.123 3.624 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU B 2 33.811 1.940 -6.539 1.00 0.00 H new ATOM 0 HB3 LEU B 2 34.317 3.615 -6.435 1.00 0.00 H new ATOM 0 HG LEU B 2 34.973 1.765 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU B 2 37.057 1.106 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU B 2 35.619 0.505 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU B 2 36.503 1.918 -6.779 1.00 0.00 H new ATOM 0 HD21 LEU B 2 36.959 3.218 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU B 2 36.399 4.113 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU B 2 35.448 4.156 -3.953 1.00 0.00 H new ATOM 742 N LYS B 3 30.833 1.728 -4.647 1.00 0.00 N ATOM 743 CA LYS B 3 30.068 0.551 -4.252 1.00 0.00 C ATOM 744 C LYS B 3 28.972 0.248 -5.270 1.00 0.00 C ATOM 745 O LYS B 3 29.099 -0.669 -6.080 1.00 0.00 O ATOM 746 CB LYS B 3 29.452 0.756 -2.867 1.00 0.00 C ATOM 747 CG LYS B 3 29.853 -0.308 -1.859 1.00 0.00 C ATOM 748 CD LYS B 3 31.306 -0.156 -1.438 1.00 0.00 C ATOM 749 CE LYS B 3 31.539 1.151 -0.698 1.00 0.00 C ATOM 750 NZ LYS B 3 32.599 1.974 -1.344 1.00 0.00 N ATOM 0 H LYS B 3 30.267 2.501 -4.998 1.00 0.00 H new ATOM 0 HA LYS B 3 30.750 -0.298 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS B 3 29.749 1.734 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS B 3 28.366 0.766 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS B 3 29.210 -0.241 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS B 3 29.700 -1.297 -2.291 1.00 0.00 H new ATOM 0 HD2 LYS B 3 31.590 -0.992 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS B 3 31.947 -0.196 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS B 3 30.609 1.719 -0.663 1.00 0.00 H new ATOM 0 HE3 LYS B 3 31.822 0.939 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 33.308 2.247 -0.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 33.058 1.421 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 32.173 2.829 -1.754 1.00 0.00 H new ATOM 764 N LYS B 4 27.897 1.027 -5.221 1.00 0.00 N ATOM 765 CA LYS B 4 26.777 0.845 -6.138 1.00 0.00 C ATOM 766 C LYS B 4 26.043 -0.471 -5.875 1.00 0.00 C ATOM 767 O LYS B 4 25.225 -0.903 -6.688 1.00 0.00 O ATOM 768 CB LYS B 4 27.267 0.886 -7.587 1.00 0.00 C ATOM 769 CG LYS B 4 26.727 2.066 -8.379 1.00 0.00 C ATOM 770 CD LYS B 4 27.133 1.986 -9.841 1.00 0.00 C ATOM 771 CE LYS B 4 26.782 3.264 -10.588 1.00 0.00 C ATOM 772 NZ LYS B 4 25.313 3.399 -10.799 1.00 0.00 N ATOM 0 H LYS B 4 27.777 1.791 -4.556 1.00 0.00 H new ATOM 0 HA LYS B 4 26.076 1.662 -5.969 1.00 0.00 H new ATOM 0 HB2 LYS B 4 28.356 0.924 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS B 4 26.977 -0.039 -8.086 1.00 0.00 H new ATOM 0 HG2 LYS B 4 25.640 2.090 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS B 4 27.098 2.996 -7.947 1.00 0.00 H new ATOM 0 HD2 LYS B 4 28.205 1.804 -9.912 1.00 0.00 H new ATOM 0 HD3 LYS B 4 26.634 1.139 -10.312 1.00 0.00 H new ATOM 0 HE2 LYS B 4 27.149 4.124 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS B 4 27.289 3.272 -11.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 25.116 4.282 -11.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 24.967 2.591 -11.355 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 24.830 3.418 -9.878 1.00 0.00 H new ATOM 786 N HIS B 5 26.331 -1.103 -4.739 1.00 0.00 N ATOM 787 CA HIS B 5 25.683 -2.361 -4.388 1.00 0.00 C ATOM 788 C HIS B 5 24.460 -2.106 -3.512 1.00 0.00 C ATOM 789 O HIS B 5 23.454 -2.812 -3.605 1.00 0.00 O ATOM 790 CB HIS B 5 26.670 -3.292 -3.675 1.00 0.00 C ATOM 791 CG HIS B 5 26.953 -2.910 -2.253 1.00 0.00 C ATOM 792 ND1 HIS B 5 27.294 -1.721 -1.704 1.00 0.00 N flip ATOM 793 CD2 HIS B 5 26.900 -3.811 -1.209 1.00 0.00 C flip ATOM 794 CE1 HIS B 5 27.440 -1.923 -0.353 1.00 0.00 C flip ATOM 795 NE2 HIS B 5 27.196 -3.192 -0.080 1.00 0.00 N flip ATOM 0 H HIS B 5 27.005 -0.766 -4.051 1.00 0.00 H new ATOM 0 HA HIS B 5 25.353 -2.847 -5.306 1.00 0.00 H new ATOM 0 HB2 HIS B 5 26.275 -4.308 -3.695 1.00 0.00 H new ATOM 0 HB3 HIS B 5 27.608 -3.304 -4.230 1.00 0.00 H new ATOM 0 HD2 HIS B 5 26.655 -4.859 -1.301 1.00 0.00 H new ATOM 0 HE1 HIS B 5 27.710 -1.167 0.369 1.00 0.00 H new ATOM 0 HE2 HIS B 5 27.230 -3.621 0.845 1.00 0.00 H new ATOM 804 N HIS B 6 24.552 -1.084 -2.667 1.00 0.00 N ATOM 805 CA HIS B 6 23.455 -0.725 -1.782 1.00 0.00 C ATOM 806 C HIS B 6 22.252 -0.250 -2.588 1.00 0.00 C ATOM 807 O HIS B 6 21.110 -0.360 -2.142 1.00 0.00 O ATOM 808 CB HIS B 6 23.893 0.368 -0.804 1.00 0.00 C ATOM 809 CG HIS B 6 24.577 -0.161 0.418 1.00 0.00 C ATOM 810 ND1 HIS B 6 24.926 -1.486 0.572 1.00 0.00 N ATOM 811 CD2 HIS B 6 24.978 0.466 1.550 1.00 0.00 C ATOM 812 CE1 HIS B 6 25.511 -1.651 1.746 1.00 0.00 C ATOM 813 NE2 HIS B 6 25.555 -0.483 2.357 1.00 0.00 N ATOM 0 H HIS B 6 25.377 -0.491 -2.578 1.00 0.00 H new ATOM 0 HA HIS B 6 23.169 -1.611 -1.215 1.00 0.00 H new ATOM 0 HB2 HIS B 6 24.565 1.056 -1.318 1.00 0.00 H new ATOM 0 HB3 HIS B 6 23.019 0.944 -0.500 1.00 0.00 H new ATOM 0 HD2 HIS B 6 24.865 1.516 1.775 1.00 0.00 H new ATOM 0 HE1 HIS B 6 25.889 -2.584 2.138 1.00 0.00 H new ATOM 0 HE2 HIS B 6 25.953 -0.312 3.280 1.00 0.00 H new ATOM 822 N GLU B 7 22.517 0.274 -3.781 1.00 0.00 N ATOM 823 CA GLU B 7 21.456 0.760 -4.653 1.00 0.00 C ATOM 824 C GLU B 7 20.651 -0.404 -5.218 1.00 0.00 C ATOM 825 O GLU B 7 19.427 -0.333 -5.322 1.00 0.00 O ATOM 826 CB GLU B 7 22.041 1.595 -5.794 1.00 0.00 C ATOM 827 CG GLU B 7 21.469 3.001 -5.873 1.00 0.00 C ATOM 828 CD GLU B 7 20.124 3.045 -6.572 1.00 0.00 C ATOM 829 OE1 GLU B 7 20.104 3.170 -7.815 1.00 0.00 O ATOM 830 OE2 GLU B 7 19.091 2.954 -5.876 1.00 0.00 O ATOM 0 H GLU B 7 23.457 0.372 -4.165 1.00 0.00 H new ATOM 0 HA GLU B 7 20.791 1.390 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.122 1.658 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU B 7 21.858 1.083 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU B 7 21.364 3.404 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU B 7 22.171 3.646 -6.402 1.00 0.00 H new ATOM 837 N ASN B 8 21.348 -1.479 -5.575 1.00 0.00 N ATOM 838 CA ASN B 8 20.695 -2.661 -6.120 1.00 0.00 C ATOM 839 C ASN B 8 19.748 -3.266 -5.092 1.00 0.00 C ATOM 840 O ASN B 8 18.604 -3.605 -5.405 1.00 0.00 O ATOM 841 CB ASN B 8 21.737 -3.697 -6.547 1.00 0.00 C ATOM 842 CG ASN B 8 22.406 -3.338 -7.858 1.00 0.00 C ATOM 843 OD1 ASN B 8 21.780 -3.371 -8.918 1.00 0.00 O ATOM 844 ND2 ASN B 8 23.686 -2.990 -7.794 1.00 0.00 N ATOM 0 H ASN B 8 22.362 -1.554 -5.496 1.00 0.00 H new ATOM 0 HA ASN B 8 20.118 -2.363 -6.995 1.00 0.00 H new ATOM 0 HB2 ASN B 8 22.495 -3.788 -5.769 1.00 0.00 H new ATOM 0 HB3 ASN B 8 21.258 -4.672 -6.642 1.00 0.00 H new ATOM 0 HD21 ASN B 8 24.189 -2.737 -8.645 1.00 0.00 H new ATOM 0 HD22 ASN B 8 24.166 -2.976 -6.894 1.00 0.00 H new ATOM 851 N GLU B 9 20.227 -3.391 -3.858 1.00 0.00 N ATOM 852 CA GLU B 9 19.416 -3.945 -2.783 1.00 0.00 C ATOM 853 C GLU B 9 18.165 -3.106 -2.579 1.00 0.00 C ATOM 854 O GLU B 9 17.055 -3.636 -2.528 1.00 0.00 O ATOM 855 CB GLU B 9 20.220 -4.020 -1.484 1.00 0.00 C ATOM 856 CG GLU B 9 21.001 -5.314 -1.327 1.00 0.00 C ATOM 857 CD GLU B 9 22.423 -5.204 -1.839 1.00 0.00 C ATOM 858 OE1 GLU B 9 23.253 -4.568 -1.155 1.00 0.00 O ATOM 859 OE2 GLU B 9 22.708 -5.752 -2.924 1.00 0.00 O ATOM 0 H GLU B 9 21.169 -3.117 -3.580 1.00 0.00 H new ATOM 0 HA GLU B 9 19.119 -4.956 -3.064 1.00 0.00 H new ATOM 0 HB2 GLU B 9 20.913 -3.180 -1.446 1.00 0.00 H new ATOM 0 HB3 GLU B 9 19.540 -3.910 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU B 9 21.019 -5.597 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU B 9 20.487 -6.111 -1.863 1.00 0.00 H new ATOM 866 N ILE B 10 18.340 -1.792 -2.485 1.00 0.00 N ATOM 867 CA ILE B 10 17.204 -0.904 -2.314 1.00 0.00 C ATOM 868 C ILE B 10 16.384 -0.835 -3.598 1.00 0.00 C ATOM 869 O ILE B 10 15.245 -0.381 -3.591 1.00 0.00 O ATOM 870 CB ILE B 10 17.629 0.509 -1.878 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.539 1.157 -2.919 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.327 0.447 -0.530 1.00 0.00 C ATOM 873 CD1 ILE B 10 19.124 2.476 -2.460 1.00 0.00 C ATOM 0 H ILE B 10 19.247 -1.326 -2.524 1.00 0.00 H new ATOM 0 HA ILE B 10 16.589 -1.320 -1.516 1.00 0.00 H new ATOM 0 HB ILE B 10 16.733 1.124 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE B 10 19.351 0.471 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE B 10 17.974 1.317 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE B 10 18.625 1.451 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE B 10 17.647 0.031 0.213 1.00 0.00 H new ATOM 0 HG23 ILE B 10 19.211 -0.186 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE B 10 19.761 2.884 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE B 10 18.317 3.177 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE B 10 19.716 2.317 -1.558 1.00 0.00 H new ATOM 885 N SER B 11 16.950 -1.321 -4.700 1.00 0.00 N ATOM 886 CA SER B 11 16.231 -1.337 -5.960 1.00 0.00 C ATOM 887 C SER B 11 15.097 -2.348 -5.862 1.00 0.00 C ATOM 888 O SER B 11 13.972 -2.096 -6.305 1.00 0.00 O ATOM 889 CB SER B 11 17.169 -1.698 -7.115 1.00 0.00 C ATOM 890 OG SER B 11 17.207 -3.099 -7.325 1.00 0.00 O ATOM 0 H SER B 11 17.894 -1.704 -4.741 1.00 0.00 H new ATOM 0 HA SER B 11 15.825 -0.345 -6.159 1.00 0.00 H new ATOM 0 HB2 SER B 11 16.837 -1.200 -8.026 1.00 0.00 H new ATOM 0 HB3 SER B 11 18.173 -1.332 -6.900 1.00 0.00 H new ATOM 0 HG SER B 11 17.550 -3.541 -6.521 1.00 0.00 H new ATOM 896 N HIS B 12 15.400 -3.491 -5.248 1.00 0.00 N ATOM 897 CA HIS B 12 14.407 -4.537 -5.058 1.00 0.00 C ATOM 898 C HIS B 12 13.354 -4.069 -4.047 1.00 0.00 C ATOM 899 O HIS B 12 12.152 -4.214 -4.276 1.00 0.00 O ATOM 900 CB HIS B 12 15.108 -5.851 -4.631 1.00 0.00 C ATOM 901 CG HIS B 12 14.570 -6.512 -3.392 1.00 0.00 C ATOM 902 ND1 HIS B 12 15.085 -6.599 -2.143 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 13.368 -7.187 -3.357 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 14.192 -7.316 -1.386 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 13.165 -7.659 -2.140 1.00 0.00 N flip ATOM 0 H HIS B 12 16.324 -3.712 -4.876 1.00 0.00 H new ATOM 0 HA HIS B 12 13.886 -4.742 -5.993 1.00 0.00 H new ATOM 0 HB2 HIS B 12 15.040 -6.560 -5.456 1.00 0.00 H new ATOM 0 HB3 HIS B 12 16.166 -5.641 -4.477 1.00 0.00 H new ATOM 0 HD2 HIS B 12 12.697 -7.311 -4.194 1.00 0.00 H new ATOM 0 HE1 HIS B 12 14.311 -7.560 -0.341 1.00 0.00 H new ATOM 0 HE2 HIS B 12 12.353 -8.197 -1.835 1.00 0.00 H new ATOM 914 N HIS B 13 13.815 -3.490 -2.938 1.00 0.00 N ATOM 915 CA HIS B 13 12.907 -2.989 -1.914 1.00 0.00 C ATOM 916 C HIS B 13 11.994 -1.923 -2.497 1.00 0.00 C ATOM 917 O HIS B 13 10.876 -1.727 -2.029 1.00 0.00 O ATOM 918 CB HIS B 13 13.675 -2.399 -0.734 1.00 0.00 C ATOM 919 CG HIS B 13 14.715 -3.304 -0.163 1.00 0.00 C ATOM 920 ND1 HIS B 13 14.620 -4.679 -0.184 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.879 -3.016 0.456 1.00 0.00 C ATOM 922 CE1 HIS B 13 15.686 -5.199 0.400 1.00 0.00 C ATOM 923 NE2 HIS B 13 16.466 -4.209 0.796 1.00 0.00 N ATOM 0 H HIS B 13 14.805 -3.358 -2.729 1.00 0.00 H new ATOM 0 HA HIS B 13 12.312 -3.831 -1.560 1.00 0.00 H new ATOM 0 HB2 HIS B 13 14.152 -1.472 -1.053 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.966 -2.138 0.052 1.00 0.00 H new ATOM 0 HD2 HIS B 13 16.275 -2.030 0.648 1.00 0.00 H new ATOM 0 HE1 HIS B 13 15.885 -6.252 0.531 1.00 0.00 H new ATOM 0 HE2 HIS B 13 17.360 -4.314 1.277 1.00 0.00 H new ATOM 932 N ALA B 14 12.481 -1.235 -3.526 1.00 0.00 N ATOM 933 CA ALA B 14 11.702 -0.192 -4.176 1.00 0.00 C ATOM 934 C ALA B 14 10.501 -0.803 -4.871 1.00 0.00 C ATOM 935 O ALA B 14 9.373 -0.342 -4.705 1.00 0.00 O ATOM 936 CB ALA B 14 12.562 0.581 -5.166 1.00 0.00 C ATOM 0 H ALA B 14 13.408 -1.382 -3.925 1.00 0.00 H new ATOM 0 HA ALA B 14 11.349 0.508 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.961 1.356 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.398 1.041 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA B 14 12.943 -0.101 -5.927 1.00 0.00 H new ATOM 942 N LYS B 15 10.747 -1.863 -5.630 1.00 0.00 N ATOM 943 CA LYS B 15 9.674 -2.557 -6.324 1.00 0.00 C ATOM 944 C LYS B 15 8.749 -3.244 -5.318 1.00 0.00 C ATOM 945 O LYS B 15 7.624 -3.615 -5.651 1.00 0.00 O ATOM 946 CB LYS B 15 10.248 -3.588 -7.299 1.00 0.00 C ATOM 947 CG LYS B 15 10.805 -2.976 -8.574 1.00 0.00 C ATOM 948 CD LYS B 15 12.087 -3.666 -9.009 1.00 0.00 C ATOM 949 CE LYS B 15 11.825 -4.685 -10.107 1.00 0.00 C ATOM 950 NZ LYS B 15 12.351 -6.032 -9.753 1.00 0.00 N ATOM 0 H LYS B 15 11.675 -2.258 -5.779 1.00 0.00 H new ATOM 0 HA LYS B 15 9.097 -1.825 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS B 15 11.039 -4.148 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.468 -4.303 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS B 15 10.063 -3.050 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS B 15 10.997 -1.915 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS B 15 12.800 -2.922 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS B 15 12.544 -4.162 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS B 15 10.753 -4.751 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS B 15 12.288 -4.347 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 12.152 -6.697 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 13.378 -5.975 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 11.891 -6.367 -8.883 1.00 0.00 H new ATOM 964 N GLU B 16 9.234 -3.413 -4.085 1.00 0.00 N ATOM 965 CA GLU B 16 8.453 -4.056 -3.034 1.00 0.00 C ATOM 966 C GLU B 16 7.399 -3.111 -2.459 1.00 0.00 C ATOM 967 O GLU B 16 6.239 -3.489 -2.311 1.00 0.00 O ATOM 968 CB GLU B 16 9.373 -4.550 -1.916 1.00 0.00 C ATOM 969 CG GLU B 16 10.303 -5.673 -2.345 1.00 0.00 C ATOM 970 CD GLU B 16 9.650 -7.038 -2.252 1.00 0.00 C ATOM 971 OE1 GLU B 16 9.076 -7.350 -1.187 1.00 0.00 O ATOM 972 OE2 GLU B 16 9.712 -7.795 -3.244 1.00 0.00 O ATOM 0 H GLU B 16 10.164 -3.112 -3.794 1.00 0.00 H new ATOM 0 HA GLU B 16 7.937 -4.906 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.970 -3.714 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.763 -4.894 -1.080 1.00 0.00 H new ATOM 0 HG2 GLU B 16 10.628 -5.499 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU B 16 11.196 -5.658 -1.721 1.00 0.00 H new ATOM 979 N ILE B 17 7.802 -1.882 -2.135 1.00 0.00 N ATOM 980 CA ILE B 17 6.869 -0.907 -1.578 1.00 0.00 C ATOM 981 C ILE B 17 5.935 -0.379 -2.661 1.00 0.00 C ATOM 982 O ILE B 17 4.799 0.007 -2.384 1.00 0.00 O ATOM 983 CB ILE B 17 7.612 0.273 -0.917 1.00 0.00 C ATOM 984 CG1 ILE B 17 6.613 1.295 -0.369 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.563 0.926 -1.908 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.260 2.575 0.117 1.00 0.00 C ATOM 0 H ILE B 17 8.757 -1.542 -2.247 1.00 0.00 H new ATOM 0 HA ILE B 17 6.284 -1.418 -0.813 1.00 0.00 H new ATOM 0 HB ILE B 17 8.200 -0.111 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE B 17 5.889 1.536 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE B 17 6.058 0.843 0.453 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.078 1.756 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.295 0.193 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE B 17 7.998 1.298 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.492 3.252 0.491 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.963 2.346 0.918 1.00 0.00 H new ATOM 0 HD13 ILE B 17 7.792 3.050 -0.708 1.00 0.00 H new ATOM 998 N GLU B 18 6.419 -0.377 -3.899 1.00 0.00 N ATOM 999 CA GLU B 18 5.626 0.088 -5.028 1.00 0.00 C ATOM 1000 C GLU B 18 4.646 -0.994 -5.466 1.00 0.00 C ATOM 1001 O GLU B 18 3.544 -0.700 -5.929 1.00 0.00 O ATOM 1002 CB GLU B 18 6.534 0.476 -6.196 1.00 0.00 C ATOM 1003 CG GLU B 18 5.994 1.626 -7.031 1.00 0.00 C ATOM 1004 CD GLU B 18 5.401 1.163 -8.346 1.00 0.00 C ATOM 1005 OE1 GLU B 18 6.179 0.855 -9.273 1.00 0.00 O ATOM 1006 OE2 GLU B 18 4.157 1.107 -8.449 1.00 0.00 O ATOM 0 H GLU B 18 7.357 -0.693 -4.144 1.00 0.00 H new ATOM 0 HA GLU B 18 5.064 0.968 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.515 0.750 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.677 -0.393 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.233 2.158 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU B 18 6.798 2.335 -7.229 1.00 0.00 H new ATOM 1013 N ARG B 19 5.057 -2.248 -5.307 1.00 0.00 N ATOM 1014 CA ARG B 19 4.218 -3.379 -5.676 1.00 0.00 C ATOM 1015 C ARG B 19 3.040 -3.504 -4.719 1.00 0.00 C ATOM 1016 O ARG B 19 1.897 -3.696 -5.143 1.00 0.00 O ATOM 1017 CB ARG B 19 5.035 -4.673 -5.672 1.00 0.00 C ATOM 1018 CG ARG B 19 4.212 -5.914 -5.975 1.00 0.00 C ATOM 1019 CD ARG B 19 4.871 -7.168 -5.422 1.00 0.00 C ATOM 1020 NE ARG B 19 4.233 -8.385 -5.915 1.00 0.00 N ATOM 1021 CZ ARG B 19 4.484 -9.596 -5.429 1.00 0.00 C ATOM 1022 NH1 ARG B 19 5.357 -9.749 -4.443 1.00 0.00 N ATOM 1023 NH2 ARG B 19 3.863 -10.655 -5.930 1.00 0.00 N ATOM 0 H ARG B 19 5.967 -2.505 -4.925 1.00 0.00 H new ATOM 0 HA ARG B 19 3.835 -3.208 -6.682 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.835 -4.590 -6.407 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.509 -4.791 -4.697 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.216 -5.805 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG B 19 4.085 -6.014 -7.053 1.00 0.00 H new ATOM 0 HD2 ARG B 19 5.926 -7.175 -5.697 1.00 0.00 H new ATOM 0 HD3 ARG B 19 4.826 -7.151 -4.333 1.00 0.00 H new ATOM 0 HE ARG B 19 3.557 -8.301 -6.674 1.00 0.00 H new ATOM 0 HH11 ARG B 19 5.837 -8.936 -4.056 1.00 0.00 H new ATOM 0 HH12 ARG B 19 5.548 -10.679 -4.071 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.192 -10.541 -6.689 1.00 0.00 H new ATOM 0 HH22 ARG B 19 4.057 -11.584 -5.556 1.00 0.00 H new ATOM 1037 N LEU B 20 3.318 -3.383 -3.424 1.00 0.00 N ATOM 1038 CA LEU B 20 2.273 -3.473 -2.420 1.00 0.00 C ATOM 1039 C LEU B 20 1.313 -2.301 -2.559 1.00 0.00 C ATOM 1040 O LEU B 20 0.104 -2.453 -2.397 1.00 0.00 O ATOM 1041 CB LEU B 20 2.881 -3.496 -1.016 1.00 0.00 C ATOM 1042 CG LEU B 20 3.989 -4.529 -0.809 1.00 0.00 C ATOM 1043 CD1 LEU B 20 5.010 -4.022 0.197 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.402 -5.856 -0.354 1.00 0.00 C ATOM 0 H LEU B 20 4.254 -3.223 -3.051 1.00 0.00 H new ATOM 0 HA LEU B 20 1.721 -4.401 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.281 -2.507 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.086 -3.688 -0.295 1.00 0.00 H new ATOM 0 HG LEU B 20 4.496 -4.686 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.791 -4.770 0.332 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.454 -3.096 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.518 -3.835 1.152 1.00 0.00 H new ATOM 0 HD21 LEU B 20 4.205 -6.579 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.870 -5.715 0.587 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.710 -6.226 -1.110 1.00 0.00 H new ATOM 1056 N GLN B 21 1.865 -1.130 -2.867 1.00 0.00 N ATOM 1057 CA GLN B 21 1.061 0.072 -3.038 1.00 0.00 C ATOM 1058 C GLN B 21 0.085 -0.096 -4.198 1.00 0.00 C ATOM 1059 O GLN B 21 -1.033 0.415 -4.161 1.00 0.00 O ATOM 1060 CB GLN B 21 1.962 1.284 -3.282 1.00 0.00 C ATOM 1061 CG GLN B 21 1.197 2.554 -3.620 1.00 0.00 C ATOM 1062 CD GLN B 21 2.110 3.687 -4.047 1.00 0.00 C ATOM 1063 OE1 GLN B 21 2.019 4.800 -3.530 1.00 0.00 O ATOM 1064 NE2 GLN B 21 2.997 3.408 -4.995 1.00 0.00 N ATOM 0 H GLN B 21 2.866 -0.990 -3.003 1.00 0.00 H new ATOM 0 HA GLN B 21 0.490 0.235 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.568 1.461 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.650 1.057 -4.096 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.486 2.344 -4.419 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.617 2.867 -2.752 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.037 2.471 -5.396 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.638 4.131 -5.322 1.00 0.00 H new ATOM 1073 N LYS B 22 0.515 -0.822 -5.225 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.326 -1.064 -6.389 1.00 0.00 C ATOM 1075 C LYS B 22 -1.559 -1.871 -5.998 1.00 0.00 C ATOM 1076 O LYS B 22 -2.689 -1.500 -6.318 1.00 0.00 O ATOM 1077 CB LYS B 22 0.461 -1.804 -7.473 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.308 -1.981 -8.771 1.00 0.00 C ATOM 1079 CD LYS B 22 -0.017 -3.330 -9.412 1.00 0.00 C ATOM 1080 CE LYS B 22 1.467 -3.507 -9.688 1.00 0.00 C ATOM 1081 NZ LYS B 22 1.717 -4.516 -10.754 1.00 0.00 N ATOM 0 H LYS B 22 1.439 -1.252 -5.274 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.648 -0.101 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.382 -1.258 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.749 -2.785 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.377 -1.892 -8.577 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.043 -1.183 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -0.364 -4.128 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -0.575 -3.419 -10.344 1.00 0.00 H new ATOM 0 HE2 LYS B 22 1.898 -2.551 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS B 22 1.973 -3.813 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 2.741 -4.607 -10.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 1.329 -5.435 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 1.256 -4.211 -11.635 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.331 -2.976 -5.294 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.423 -3.835 -4.850 1.00 0.00 C ATOM 1097 C GLU B 23 -3.426 -3.048 -4.011 1.00 0.00 C ATOM 1098 O GLU B 23 -4.641 -3.195 -4.170 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.876 -5.012 -4.040 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.887 -6.127 -3.828 1.00 0.00 C ATOM 1101 CD GLU B 23 -2.950 -7.087 -5.000 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -2.080 -7.981 -5.083 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -3.868 -6.945 -5.834 1.00 0.00 O ATOM 0 H GLU B 23 -0.402 -3.297 -5.020 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.935 -4.217 -5.733 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -1.002 -5.418 -4.549 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.539 -4.649 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.629 -6.679 -2.924 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -3.873 -5.692 -3.666 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.913 -2.204 -3.121 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.772 -1.393 -2.267 1.00 0.00 C ATOM 1112 C ILE B 24 -4.582 -0.420 -3.122 1.00 0.00 C ATOM 1113 O ILE B 24 -5.699 -0.044 -2.770 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.971 -0.635 -1.159 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.555 0.780 -1.590 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.741 -1.428 -0.745 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.474 1.856 -1.055 1.00 0.00 C ATOM 0 H ILE B 24 -1.913 -2.065 -2.973 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.453 -2.067 -1.747 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.644 -0.534 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.539 0.974 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.539 0.832 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -1.199 -0.882 0.027 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -2.048 -2.398 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -1.093 -1.573 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.127 2.832 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.487 1.684 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.471 1.828 0.035 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.000 -0.027 -4.253 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.656 0.890 -5.173 1.00 0.00 C ATOM 1131 C GLU B 25 -5.946 0.275 -5.694 1.00 0.00 C ATOM 1132 O GLU B 25 -6.993 0.919 -5.708 1.00 0.00 O ATOM 1133 CB GLU B 25 -3.728 1.229 -6.341 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.141 2.477 -7.104 1.00 0.00 C ATOM 1135 CD GLU B 25 -3.714 2.440 -8.558 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -4.454 1.860 -9.380 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -2.638 2.991 -8.875 1.00 0.00 O ATOM 0 H GLU B 25 -3.074 -0.332 -4.552 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.893 1.809 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -2.715 1.364 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.701 0.385 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.224 2.590 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.705 3.353 -6.623 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.868 -0.983 -6.110 1.00 0.00 N ATOM 1145 CA ARG B 26 -7.038 -1.685 -6.614 1.00 0.00 C ATOM 1146 C ARG B 26 -8.133 -1.704 -5.553 1.00 0.00 C ATOM 1147 O ARG B 26 -9.301 -1.423 -5.837 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.671 -3.115 -7.017 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.869 -3.967 -7.400 1.00 0.00 C ATOM 1150 CD ARG B 26 -7.511 -5.444 -7.445 1.00 0.00 C ATOM 1151 NE ARG B 26 -8.678 -6.282 -7.699 1.00 0.00 N ATOM 1152 CZ ARG B 26 -8.656 -7.610 -7.651 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -7.530 -8.246 -7.361 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -9.760 -8.304 -7.896 1.00 0.00 N ATOM 0 H ARG B 26 -5.010 -1.535 -6.108 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.407 -1.160 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.978 -3.080 -7.857 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.146 -3.593 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.674 -3.808 -6.682 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -8.244 -3.653 -8.374 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -6.767 -5.613 -8.223 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -7.054 -5.735 -6.499 1.00 0.00 H new ATOM 0 HE ARG B 26 -9.560 -5.823 -7.926 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -6.679 -7.716 -7.174 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -7.515 -9.265 -7.325 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -10.628 -7.818 -8.122 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -9.741 -9.323 -7.859 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.743 -2.029 -4.322 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.689 -2.075 -3.217 1.00 0.00 C ATOM 1170 C HIS B 27 -9.222 -0.682 -2.899 1.00 0.00 C ATOM 1171 O HIS B 27 -10.296 -0.542 -2.315 1.00 0.00 O ATOM 1172 CB HIS B 27 -8.028 -2.677 -1.976 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.601 -4.001 -1.579 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.903 -4.161 -1.152 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -8.043 -5.234 -1.548 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -10.120 -5.434 -0.875 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -9.008 -6.106 -1.107 1.00 0.00 N ATOM 0 H HIS B 27 -6.783 -2.263 -4.069 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.527 -2.706 -3.515 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.960 -2.793 -2.163 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.132 -1.980 -1.144 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -7.028 -5.485 -1.819 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -11.049 -5.854 -0.519 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -8.885 -7.111 -0.979 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.470 0.347 -3.285 1.00 0.00 N ATOM 1187 CA LYS B 28 -8.882 1.723 -3.032 1.00 0.00 C ATOM 1188 C LYS B 28 -9.917 2.176 -4.058 1.00 0.00 C ATOM 1189 O LYS B 28 -10.733 3.056 -3.784 1.00 0.00 O ATOM 1190 CB LYS B 28 -7.658 2.663 -3.012 1.00 0.00 C ATOM 1191 CG LYS B 28 -7.301 3.301 -4.353 1.00 0.00 C ATOM 1192 CD LYS B 28 -7.624 4.786 -4.364 1.00 0.00 C ATOM 1193 CE LYS B 28 -7.490 5.375 -5.759 1.00 0.00 C ATOM 1194 NZ LYS B 28 -6.167 6.026 -5.962 1.00 0.00 N ATOM 0 H LYS B 28 -7.578 0.254 -3.771 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.351 1.767 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.843 3.457 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.795 2.101 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -6.240 3.156 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.849 2.802 -5.152 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.639 4.941 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.955 5.310 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.624 4.587 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.283 6.105 -5.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.116 6.415 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.049 6.795 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -5.411 5.324 -5.831 1.00 0.00 H new ATOM 1208 N GLN B 29 -9.879 1.565 -5.236 1.00 0.00 N ATOM 1209 CA GLN B 29 -10.817 1.899 -6.298 1.00 0.00 C ATOM 1210 C GLN B 29 -12.196 1.338 -5.979 1.00 0.00 C ATOM 1211 O GLN B 29 -13.211 2.011 -6.164 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.324 1.351 -7.639 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.294 1.580 -8.785 1.00 0.00 C ATOM 1214 CD GLN B 29 -11.103 0.590 -9.917 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -10.983 -0.614 -9.691 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -11.071 1.094 -11.146 1.00 0.00 N ATOM 0 H GLN B 29 -9.208 0.836 -5.479 1.00 0.00 H new ATOM 0 HA GLN B 29 -10.886 2.984 -6.369 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.370 1.818 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.140 0.281 -7.539 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.315 1.507 -8.412 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.166 2.593 -9.167 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -11.175 2.099 -11.288 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.943 0.476 -11.947 1.00 0.00 H new ATOM 1225 N SER B 30 -12.224 0.103 -5.492 1.00 0.00 N ATOM 1226 CA SER B 30 -13.481 -0.547 -5.139 1.00 0.00 C ATOM 1227 C SER B 30 -14.137 0.148 -3.948 1.00 0.00 C ATOM 1228 O SER B 30 -15.332 0.451 -3.971 1.00 0.00 O ATOM 1229 CB SER B 30 -13.243 -2.023 -4.815 1.00 0.00 C ATOM 1230 OG SER B 30 -11.943 -2.228 -4.291 1.00 0.00 O ATOM 0 H SER B 30 -11.393 -0.467 -5.333 1.00 0.00 H new ATOM 0 HA SER B 30 -14.152 -0.474 -5.995 1.00 0.00 H new ATOM 0 HB2 SER B 30 -13.987 -2.365 -4.095 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.374 -2.622 -5.716 1.00 0.00 H new ATOM 0 HG SER B 30 -11.759 -1.558 -3.600 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.348 0.400 -2.908 1.00 0.00 N ATOM 1237 CA ILE B 31 -13.852 1.059 -1.709 1.00 0.00 C ATOM 1238 C ILE B 31 -14.177 2.522 -1.986 1.00 0.00 C ATOM 1239 O ILE B 31 -15.034 3.115 -1.327 1.00 0.00 O ATOM 1240 CB ILE B 31 -12.829 0.960 -0.559 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.314 1.701 0.684 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.484 1.508 -0.998 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.323 0.922 1.486 1.00 0.00 C ATOM 0 H ILE B 31 -12.358 0.158 -2.872 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.768 0.548 -1.412 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.720 -0.094 -0.304 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -12.458 1.933 1.317 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -13.755 2.651 0.383 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -10.773 1.431 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.117 0.934 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -11.594 2.554 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.626 1.506 2.355 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.196 0.712 0.868 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.879 -0.017 1.816 1.00 0.00 H new ATOM 1255 N LYS B 32 -13.495 3.097 -2.969 1.00 0.00 N ATOM 1256 CA LYS B 32 -13.717 4.490 -3.338 1.00 0.00 C ATOM 1257 C LYS B 32 -14.965 4.630 -4.204 1.00 0.00 C ATOM 1258 O LYS B 32 -15.544 5.713 -4.302 1.00 0.00 O ATOM 1259 CB LYS B 32 -12.501 5.041 -4.084 1.00 0.00 C ATOM 1260 CG LYS B 32 -12.709 6.442 -4.635 1.00 0.00 C ATOM 1261 CD LYS B 32 -11.459 6.962 -5.326 1.00 0.00 C ATOM 1262 CE LYS B 32 -10.411 7.407 -4.318 1.00 0.00 C ATOM 1263 NZ LYS B 32 -9.616 8.564 -4.817 1.00 0.00 N ATOM 0 H LYS B 32 -12.784 2.621 -3.525 1.00 0.00 H new ATOM 0 HA LYS B 32 -13.864 5.064 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.644 5.048 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -12.254 4.369 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -13.540 6.437 -5.340 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -12.984 7.116 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -11.044 6.182 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.721 7.799 -5.974 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.900 7.679 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.742 6.575 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -8.913 8.837 -4.101 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -9.129 8.297 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -10.250 9.367 -5.003 1.00 0.00 H new ATOM 1277 N LYS B 33 -15.375 3.533 -4.835 1.00 0.00 N ATOM 1278 CA LYS B 33 -16.551 3.541 -5.695 1.00 0.00 C ATOM 1279 C LYS B 33 -17.833 3.412 -4.879 1.00 0.00 C ATOM 1280 O LYS B 33 -18.841 4.048 -5.191 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.468 2.405 -6.716 1.00 0.00 C ATOM 1282 CG LYS B 33 -16.939 2.800 -8.106 1.00 0.00 C ATOM 1283 CD LYS B 33 -16.492 1.793 -9.153 1.00 0.00 C ATOM 1284 CE LYS B 33 -15.240 2.261 -9.876 1.00 0.00 C ATOM 1285 NZ LYS B 33 -14.486 1.124 -10.472 1.00 0.00 N ATOM 0 H LYS B 33 -14.909 2.628 -4.766 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.575 4.496 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.437 2.057 -6.776 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.068 1.566 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.026 2.877 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -16.548 3.786 -8.357 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -16.300 0.832 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -17.294 1.637 -9.875 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -15.516 2.965 -10.661 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -14.597 2.797 -9.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -13.639 1.485 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -14.201 0.465 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -15.091 0.627 -11.157 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.797 2.589 -3.835 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.965 2.391 -2.989 1.00 0.00 C ATOM 1301 C LEU B 34 -19.101 3.525 -1.980 1.00 0.00 C ATOM 1302 O LEU B 34 -20.203 3.844 -1.535 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.876 1.049 -2.266 1.00 0.00 C ATOM 1304 CG LEU B 34 -19.116 -0.179 -3.147 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -18.470 -1.411 -2.532 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -20.607 -0.402 -3.352 1.00 0.00 C ATOM 0 H LEU B 34 -16.976 2.052 -3.557 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.850 2.390 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.889 0.964 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -19.603 1.042 -1.454 1.00 0.00 H new ATOM 0 HG LEU B 34 -18.657 -0.002 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -18.651 -2.275 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -17.396 -1.249 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -18.899 -1.593 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -20.761 -1.279 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -21.088 -0.559 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -21.042 0.472 -3.836 1.00 0.00 H new ATOM 1318 N LYS B 35 -17.975 4.138 -1.628 1.00 0.00 N ATOM 1319 CA LYS B 35 -17.975 5.242 -0.678 1.00 0.00 C ATOM 1320 C LYS B 35 -18.231 6.567 -1.391 1.00 0.00 C ATOM 1321 O LYS B 35 -18.729 7.519 -0.791 1.00 0.00 O ATOM 1322 CB LYS B 35 -16.646 5.298 0.077 1.00 0.00 C ATOM 1323 CG LYS B 35 -15.483 5.786 -0.773 1.00 0.00 C ATOM 1324 CD LYS B 35 -15.111 7.221 -0.437 1.00 0.00 C ATOM 1325 CE LYS B 35 -13.666 7.521 -0.801 1.00 0.00 C ATOM 1326 NZ LYS B 35 -13.039 8.475 0.154 1.00 0.00 N ATOM 0 H LYS B 35 -17.053 3.889 -1.986 1.00 0.00 H new ATOM 0 HA LYS B 35 -18.778 5.074 0.039 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -16.755 5.955 0.940 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -16.413 4.304 0.460 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -14.620 5.139 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -15.747 5.715 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -15.771 7.904 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -15.264 7.398 0.628 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -13.095 6.593 -0.814 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -13.624 7.935 -1.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -12.054 8.653 -0.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -13.568 9.370 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -13.056 8.069 1.111 1.00 0.00 H new ATOM 1340 N GLN B 36 -17.891 6.618 -2.675 1.00 0.00 N ATOM 1341 CA GLN B 36 -18.090 7.824 -3.469 1.00 0.00 C ATOM 1342 C GLN B 36 -19.500 7.860 -4.049 1.00 0.00 C ATOM 1343 O GLN B 36 -20.041 8.931 -4.325 1.00 0.00 O ATOM 1344 CB GLN B 36 -17.059 7.896 -4.596 1.00 0.00 C ATOM 1345 CG GLN B 36 -17.253 9.085 -5.525 1.00 0.00 C ATOM 1346 CD GLN B 36 -16.115 10.082 -5.440 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -16.035 10.872 -4.499 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -15.226 10.051 -6.425 1.00 0.00 N ATOM 0 H GLN B 36 -17.477 5.839 -3.187 1.00 0.00 H new ATOM 0 HA GLN B 36 -17.960 8.687 -2.816 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -16.061 7.945 -4.161 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -17.108 6.977 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -17.343 8.729 -6.551 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -18.189 9.586 -5.278 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -15.331 9.380 -7.186 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -14.438 10.699 -6.421 1.00 0.00 H new ATOM 1357 N SER B 37 -20.089 6.683 -4.229 1.00 0.00 N ATOM 1358 CA SER B 37 -21.437 6.580 -4.775 1.00 0.00 C ATOM 1359 C SER B 37 -22.480 6.729 -3.671 1.00 0.00 C ATOM 1360 O SER B 37 -23.578 7.233 -3.906 1.00 0.00 O ATOM 1361 CB SER B 37 -21.621 5.240 -5.489 1.00 0.00 C ATOM 1362 OG SER B 37 -22.776 5.254 -6.311 1.00 0.00 O ATOM 0 H SER B 37 -19.655 5.788 -4.005 1.00 0.00 H new ATOM 0 HA SER B 37 -21.575 7.387 -5.495 1.00 0.00 H new ATOM 0 HB2 SER B 37 -20.742 5.024 -6.096 1.00 0.00 H new ATOM 0 HB3 SER B 37 -21.704 4.441 -4.753 1.00 0.00 H new ATOM 0 HG SER B 37 -22.870 4.387 -6.757 1.00 0.00 H new ATOM 1368 N GLU B 38 -22.128 6.291 -2.467 1.00 0.00 N ATOM 1369 CA GLU B 38 -23.033 6.380 -1.328 1.00 0.00 C ATOM 1370 C GLU B 38 -22.908 7.736 -0.640 1.00 0.00 C ATOM 1371 O GLU B 38 -23.844 8.203 0.007 1.00 0.00 O ATOM 1372 CB GLU B 38 -22.743 5.259 -0.329 1.00 0.00 C ATOM 1373 CG GLU B 38 -23.995 4.648 0.282 1.00 0.00 C ATOM 1374 CD GLU B 38 -24.251 5.135 1.695 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -24.188 6.361 1.921 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -24.514 4.289 2.575 1.00 0.00 O ATOM 0 H GLU B 38 -21.223 5.871 -2.255 1.00 0.00 H new ATOM 0 HA GLU B 38 -24.053 6.272 -1.697 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.174 4.476 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -22.113 5.650 0.470 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -24.855 4.889 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.900 3.562 0.287 1.00 0.00 H new ATOM 1383 N ASP B 39 -21.745 8.363 -0.789 1.00 0.00 N ATOM 1384 CA ASP B 39 -21.496 9.666 -0.184 1.00 0.00 C ATOM 1385 C ASP B 39 -21.718 10.789 -1.194 1.00 0.00 C ATOM 1386 O ASP B 39 -21.982 11.931 -0.818 1.00 0.00 O ATOM 1387 CB ASP B 39 -20.069 9.733 0.362 1.00 0.00 C ATOM 1388 CG ASP B 39 -19.781 11.041 1.072 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -20.617 11.464 1.898 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -18.721 11.642 0.801 1.00 0.00 O ATOM 0 H ASP B 39 -20.961 7.989 -1.323 1.00 0.00 H new ATOM 0 HA ASP B 39 -22.200 9.796 0.638 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -19.908 8.905 1.053 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -19.363 9.605 -0.459 1.00 0.00 H new ATOM 1395 N ASP B 40 -21.611 10.458 -2.477 1.00 0.00 N ATOM 1396 CA ASP B 40 -21.800 11.442 -3.538 1.00 0.00 C ATOM 1397 C ASP B 40 -20.855 12.625 -3.358 1.00 0.00 C ATOM 1398 O ASP B 40 -21.083 13.492 -2.515 1.00 0.00 O ATOM 1399 CB ASP B 40 -23.249 11.931 -3.557 1.00 0.00 C ATOM 1400 CG ASP B 40 -24.208 10.880 -4.079 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -24.146 10.568 -5.287 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -25.023 10.370 -3.281 1.00 0.00 O ATOM 0 H ASP B 40 -21.395 9.517 -2.807 1.00 0.00 H new ATOM 0 HA ASP B 40 -21.574 10.961 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -23.545 12.220 -2.549 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -23.320 12.824 -4.178 1.00 0.00 H new ATOM 1407 N ASP B 41 -19.792 12.653 -4.156 1.00 0.00 N ATOM 1408 CA ASP B 41 -18.813 13.730 -4.085 1.00 0.00 C ATOM 1409 C ASP B 41 -17.789 13.611 -5.210 1.00 0.00 C ATOM 1410 O ASP B 41 -16.635 13.229 -4.920 1.00 0.00 O ATOM 1411 CB ASP B 41 -18.102 13.715 -2.730 1.00 0.00 C ATOM 1412 CG ASP B 41 -17.192 14.912 -2.541 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -17.615 16.038 -2.875 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -16.055 14.723 -2.058 1.00 0.00 O ATOM 1415 OXT ASP B 41 -18.150 13.897 -6.370 1.00 0.00 O ATOM 0 H ASP B 41 -19.588 11.942 -4.859 1.00 0.00 H new ATOM 0 HA ASP B 41 -19.343 14.675 -4.199 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -18.845 13.698 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -17.517 12.800 -2.640 1.00 0.00 H new TER 1420 ASP B 41