USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 940 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 48 TYR OH : rot 35:sc= 1.8 USER MOD Set 1.2: B 38 ASN : amide:sc= 0.656 K(o=2.5,f=-0.14) USER MOD Set 2.1: B 16 ASN : amide:sc= -0.214 K(o=1,f=-0.2!) USER MOD Set 2.2: B 20 THR OG1 : rot 89:sc= 1.21 USER MOD Set 3.1: A 38 ASN : amide:sc= -0.617 K(o=-0.62,f=0.56) USER MOD Set 3.2: B 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 18 GLN : amide:sc= -0.673 K(o=-0.67,f=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 1.28 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 158:sc= -0.321 (180deg=-1.24) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 35 THR OG1 : rot 67:sc= 1.16 USER MOD Single : A 41 MET CE :methyl 142:sc= -0.376 (180deg=-2.88!) USER MOD Single : A 46 LYS NZ :NH3+ -125:sc= 1.25 (180deg=0.131) USER MOD Single : A 47 THR OG1 : rot 83:sc= 1.32 USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.55! C(o=-1.5!,f=-6.4!) USER MOD Single : A 59 LYS NZ :NH3+ 147:sc= 0.871 (180deg=-0.36) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 150:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 162:sc= -0.0687 (180deg=-0.337) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN : amide:sc= -0.841 K(o=-0.84,f=0) USER MOD Single : B 23 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0113) USER MOD Single : B 24 MET CE :methyl -159:sc= -0.171 (180deg=-0.805) USER MOD Single : B 27 HIS : no HD1:sc= 0.444 K(o=0.44,f=-4.1!) USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 MET CE :methyl -122:sc= -1.62 (180deg=-3.42!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 THR OG1 : rot 85:sc= 1.32 USER MOD Single : B 51 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.347 K(o=-0.35,f=-5.4!) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 72:sc= 0.121 USER MOD Single : B 61 THR OG1 : rot 78:sc= 0.289 USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 5 28.699 -12.531 -13.289 1.00 0.00 N ATOM 54 CA ALA A 5 27.915 -13.088 -12.191 1.00 0.00 C ATOM 55 C ALA A 5 28.353 -12.527 -10.839 1.00 0.00 C ATOM 56 O ALA A 5 27.603 -12.574 -9.866 1.00 0.00 O ATOM 57 CB ALA A 5 28.019 -14.606 -12.194 1.00 0.00 C ATOM 0 HA ALA A 5 26.875 -12.798 -12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 5 27.431 -15.013 -11.371 1.00 0.00 H new ATOM 0 HB2 ALA A 5 27.639 -14.995 -13.139 1.00 0.00 H new ATOM 0 HB3 ALA A 5 29.062 -14.899 -12.074 1.00 0.00 H new ATOM 63 N GLU A 6 29.562 -11.983 -10.788 1.00 0.00 N ATOM 64 CA GLU A 6 30.113 -11.443 -9.550 1.00 0.00 C ATOM 65 C GLU A 6 29.367 -10.189 -9.114 1.00 0.00 C ATOM 66 O GLU A 6 28.861 -10.113 -7.992 1.00 0.00 O ATOM 67 CB GLU A 6 31.598 -11.149 -9.731 1.00 0.00 C ATOM 68 CG GLU A 6 32.377 -12.375 -10.166 1.00 0.00 C ATOM 69 CD GLU A 6 33.869 -12.147 -10.229 1.00 0.00 C ATOM 70 OE1 GLU A 6 34.516 -12.118 -9.161 1.00 0.00 O ATOM 71 OE2 GLU A 6 34.408 -12.038 -11.348 1.00 0.00 O ATOM 0 H GLU A 6 30.183 -11.903 -11.593 1.00 0.00 H new ATOM 0 HA GLU A 6 29.990 -12.188 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.722 -10.360 -10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.009 -10.773 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.171 -13.192 -9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.024 -12.692 -11.147 1.00 0.00 H new ATOM 78 N GLU A 7 29.294 -9.208 -10.002 1.00 0.00 N ATOM 79 CA GLU A 7 28.544 -7.998 -9.731 1.00 0.00 C ATOM 80 C GLU A 7 27.050 -8.288 -9.715 1.00 0.00 C ATOM 81 O GLU A 7 26.288 -7.627 -9.007 1.00 0.00 O ATOM 82 CB GLU A 7 28.873 -6.932 -10.768 1.00 0.00 C ATOM 83 CG GLU A 7 30.227 -6.281 -10.555 1.00 0.00 C ATOM 84 CD GLU A 7 30.424 -5.048 -11.414 1.00 0.00 C ATOM 85 OE1 GLU A 7 29.980 -3.957 -11.000 1.00 0.00 O ATOM 86 OE2 GLU A 7 31.031 -5.161 -12.498 1.00 0.00 O ATOM 0 H GLU A 7 29.747 -9.230 -10.916 1.00 0.00 H new ATOM 0 HA GLU A 7 28.829 -7.624 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.846 -7.381 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.101 -6.163 -10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.333 -6.008 -9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 7 31.012 -7.003 -10.778 1.00 0.00 H new ATOM 93 N LEU A 8 26.639 -9.284 -10.492 1.00 0.00 N ATOM 94 CA LEU A 8 25.264 -9.754 -10.481 1.00 0.00 C ATOM 95 C LEU A 8 24.888 -10.181 -9.067 1.00 0.00 C ATOM 96 O LEU A 8 23.859 -9.769 -8.534 1.00 0.00 O ATOM 97 CB LEU A 8 25.119 -10.932 -11.449 1.00 0.00 C ATOM 98 CG LEU A 8 23.754 -11.093 -12.119 1.00 0.00 C ATOM 99 CD1 LEU A 8 23.819 -12.168 -13.191 1.00 0.00 C ATOM 100 CD2 LEU A 8 22.674 -11.435 -11.102 1.00 0.00 C ATOM 0 H LEU A 8 27.247 -9.783 -11.142 1.00 0.00 H new ATOM 0 HA LEU A 8 24.597 -8.953 -10.799 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.873 -10.829 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 8 25.345 -11.850 -10.907 1.00 0.00 H new ATOM 0 HG LEU A 8 23.494 -10.141 -12.581 1.00 0.00 H new ATOM 0 HD11 LEU A 8 22.841 -12.273 -13.661 1.00 0.00 H new ATOM 0 HD12 LEU A 8 24.555 -11.887 -13.944 1.00 0.00 H new ATOM 0 HD13 LEU A 8 24.108 -13.116 -12.738 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.716 -11.543 -11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 8 22.927 -12.371 -10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.605 -10.637 -10.363 1.00 0.00 H new ATOM 112 N LYS A 9 25.753 -10.988 -8.459 1.00 0.00 N ATOM 113 CA LYS A 9 25.539 -11.485 -7.107 1.00 0.00 C ATOM 114 C LYS A 9 25.482 -10.331 -6.117 1.00 0.00 C ATOM 115 O LYS A 9 24.613 -10.293 -5.246 1.00 0.00 O ATOM 116 CB LYS A 9 26.669 -12.439 -6.713 1.00 0.00 C ATOM 117 CG LYS A 9 26.304 -13.397 -5.592 1.00 0.00 C ATOM 118 CD LYS A 9 25.457 -14.547 -6.112 1.00 0.00 C ATOM 119 CE LYS A 9 25.071 -15.511 -5.005 1.00 0.00 C ATOM 120 NZ LYS A 9 24.540 -16.786 -5.551 1.00 0.00 N ATOM 0 H LYS A 9 26.618 -11.314 -8.889 1.00 0.00 H new ATOM 0 HA LYS A 9 24.589 -12.019 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 9 26.966 -13.016 -7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 9 27.536 -11.853 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.212 -13.788 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.759 -12.862 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.555 -14.151 -6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.008 -15.083 -6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.941 -15.716 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.320 -15.048 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.286 -17.421 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.696 -16.592 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 25.266 -17.239 -6.142 1.00 0.00 H new ATOM 134 N ALA A 10 26.408 -9.389 -6.266 1.00 0.00 N ATOM 135 CA ALA A 10 26.490 -8.239 -5.373 1.00 0.00 C ATOM 136 C ALA A 10 25.229 -7.392 -5.448 1.00 0.00 C ATOM 137 O ALA A 10 24.721 -6.923 -4.424 1.00 0.00 O ATOM 138 CB ALA A 10 27.707 -7.392 -5.711 1.00 0.00 C ATOM 0 H ALA A 10 27.115 -9.400 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 10 26.588 -8.614 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 10 27.754 -6.538 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 10 28.610 -7.992 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 10 27.630 -7.038 -6.739 1.00 0.00 H new ATOM 144 N LYS A 11 24.723 -7.201 -6.656 1.00 0.00 N ATOM 145 CA LYS A 11 23.531 -6.393 -6.856 1.00 0.00 C ATOM 146 C LYS A 11 22.296 -7.148 -6.383 1.00 0.00 C ATOM 147 O LYS A 11 21.444 -6.593 -5.687 1.00 0.00 O ATOM 148 CB LYS A 11 23.379 -6.019 -8.327 1.00 0.00 C ATOM 149 CG LYS A 11 22.324 -4.950 -8.575 1.00 0.00 C ATOM 150 CD LYS A 11 22.694 -3.638 -7.896 1.00 0.00 C ATOM 151 CE LYS A 11 21.605 -2.591 -8.067 1.00 0.00 C ATOM 152 NZ LYS A 11 22.004 -1.274 -7.503 1.00 0.00 N ATOM 0 H LYS A 11 25.118 -7.593 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 11 23.634 -5.479 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.338 -5.666 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.121 -6.912 -8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 11 22.213 -4.788 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 11 21.359 -5.295 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 11 22.867 -3.814 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 11 23.629 -3.263 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.375 -2.477 -9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.693 -2.933 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.233 -0.589 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.199 -1.376 -6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.859 -0.934 -7.987 1.00 0.00 H new ATOM 166 N LEU A 12 22.217 -8.418 -6.759 1.00 0.00 N ATOM 167 CA LEU A 12 21.109 -9.276 -6.354 1.00 0.00 C ATOM 168 C LEU A 12 21.020 -9.346 -4.836 1.00 0.00 C ATOM 169 O LEU A 12 19.935 -9.270 -4.274 1.00 0.00 O ATOM 170 CB LEU A 12 21.282 -10.683 -6.932 1.00 0.00 C ATOM 171 CG LEU A 12 20.154 -11.670 -6.612 1.00 0.00 C ATOM 172 CD1 LEU A 12 18.842 -11.197 -7.221 1.00 0.00 C ATOM 173 CD2 LEU A 12 20.506 -13.057 -7.120 1.00 0.00 C ATOM 0 H LEU A 12 22.911 -8.879 -7.347 1.00 0.00 H new ATOM 0 HA LEU A 12 20.185 -8.848 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.375 -10.603 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.220 -11.097 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 12 20.033 -11.717 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.053 -11.910 -6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.583 -10.220 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.949 -11.122 -8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 12 19.695 -13.747 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 12 20.652 -13.023 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.423 -13.398 -6.640 1.00 0.00 H new ATOM 185 N LYS A 13 22.175 -9.479 -4.188 1.00 0.00 N ATOM 186 CA LYS A 13 22.254 -9.490 -2.729 1.00 0.00 C ATOM 187 C LYS A 13 21.568 -8.261 -2.144 1.00 0.00 C ATOM 188 O LYS A 13 20.722 -8.365 -1.254 1.00 0.00 O ATOM 189 CB LYS A 13 23.726 -9.517 -2.302 1.00 0.00 C ATOM 190 CG LYS A 13 23.957 -9.449 -0.797 1.00 0.00 C ATOM 191 CD LYS A 13 23.252 -10.568 -0.050 1.00 0.00 C ATOM 192 CE LYS A 13 23.663 -10.589 1.416 1.00 0.00 C ATOM 193 NZ LYS A 13 22.884 -11.577 2.207 1.00 0.00 N ATOM 0 H LYS A 13 23.076 -9.581 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 13 21.745 -10.378 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 13 24.184 -10.429 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 13 24.242 -8.680 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.027 -9.499 -0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 13 23.606 -8.488 -0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 13 22.173 -10.438 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 13 23.491 -11.526 -0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 13 24.725 -10.824 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.526 -9.596 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 23.199 -11.555 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 21.873 -11.339 2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 23.034 -12.530 1.817 1.00 0.00 H new ATOM 207 N LYS A 14 21.948 -7.103 -2.658 1.00 0.00 N ATOM 208 CA LYS A 14 21.390 -5.837 -2.211 1.00 0.00 C ATOM 209 C LYS A 14 19.881 -5.785 -2.441 1.00 0.00 C ATOM 210 O LYS A 14 19.115 -5.457 -1.534 1.00 0.00 O ATOM 211 CB LYS A 14 22.069 -4.685 -2.952 1.00 0.00 C ATOM 212 CG LYS A 14 21.833 -3.333 -2.310 1.00 0.00 C ATOM 213 CD LYS A 14 22.357 -3.311 -0.885 1.00 0.00 C ATOM 214 CE LYS A 14 23.868 -3.483 -0.836 1.00 0.00 C ATOM 215 NZ LYS A 14 24.354 -3.691 0.551 1.00 0.00 N ATOM 0 H LYS A 14 22.649 -7.014 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 14 21.572 -5.743 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 14 23.141 -4.875 -2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.705 -4.659 -3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 14 22.326 -2.557 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 14 20.767 -3.105 -2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 14 22.083 -2.368 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 14 21.882 -4.106 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 14 24.157 -4.333 -1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 14 24.348 -2.602 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 25.388 -3.804 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 24.100 -2.869 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 23.915 -4.546 0.948 1.00 0.00 H new ATOM 229 N LEU A 15 19.465 -6.127 -3.655 1.00 0.00 N ATOM 230 CA LEU A 15 18.057 -6.073 -4.034 1.00 0.00 C ATOM 231 C LEU A 15 17.232 -7.088 -3.246 1.00 0.00 C ATOM 232 O LEU A 15 16.135 -6.781 -2.782 1.00 0.00 O ATOM 233 CB LEU A 15 17.909 -6.327 -5.536 1.00 0.00 C ATOM 234 CG LEU A 15 18.543 -5.266 -6.440 1.00 0.00 C ATOM 235 CD1 LEU A 15 18.374 -5.644 -7.902 1.00 0.00 C ATOM 236 CD2 LEU A 15 17.929 -3.902 -6.170 1.00 0.00 C ATOM 0 H LEU A 15 20.087 -6.447 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 15 17.681 -5.078 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 15 18.353 -7.294 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.848 -6.398 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 15 19.609 -5.215 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.830 -4.879 -8.531 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.858 -6.603 -8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.313 -5.721 -8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.391 -3.160 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.857 -3.940 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.098 -3.627 -5.129 1.00 0.00 H new ATOM 248 N ASN A 16 17.777 -8.289 -3.088 1.00 0.00 N ATOM 249 CA ASN A 16 17.102 -9.362 -2.363 1.00 0.00 C ATOM 250 C ASN A 16 16.887 -8.973 -0.908 1.00 0.00 C ATOM 251 O ASN A 16 15.803 -9.167 -0.355 1.00 0.00 O ATOM 252 CB ASN A 16 17.918 -10.658 -2.437 1.00 0.00 C ATOM 253 CG ASN A 16 17.204 -11.833 -1.799 1.00 0.00 C ATOM 254 OD1 ASN A 16 17.356 -12.099 -0.606 1.00 0.00 O ATOM 255 ND2 ASN A 16 16.419 -12.544 -2.591 1.00 0.00 N ATOM 0 H ASN A 16 18.693 -8.546 -3.456 1.00 0.00 H new ATOM 0 HA ASN A 16 16.132 -9.527 -2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 16 18.131 -10.890 -3.481 1.00 0.00 H new ATOM 0 HB3 ASN A 16 18.877 -10.508 -1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.912 -13.347 -2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.321 -12.290 -3.574 1.00 0.00 H new ATOM 262 N ALA A 17 17.927 -8.421 -0.298 1.00 0.00 N ATOM 263 CA ALA A 17 17.850 -7.978 1.084 1.00 0.00 C ATOM 264 C ALA A 17 16.804 -6.884 1.245 1.00 0.00 C ATOM 265 O ALA A 17 16.012 -6.907 2.184 1.00 0.00 O ATOM 266 CB ALA A 17 19.205 -7.483 1.555 1.00 0.00 C ATOM 0 H ALA A 17 18.834 -8.270 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 17 17.553 -8.828 1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 17 19.132 -7.154 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.933 -8.291 1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 17 19.524 -6.648 0.931 1.00 0.00 H new ATOM 272 N GLN A 18 16.802 -5.934 0.311 1.00 0.00 N ATOM 273 CA GLN A 18 15.844 -4.833 0.334 1.00 0.00 C ATOM 274 C GLN A 18 14.418 -5.345 0.137 1.00 0.00 C ATOM 275 O GLN A 18 13.493 -4.914 0.827 1.00 0.00 O ATOM 276 CB GLN A 18 16.207 -3.802 -0.741 1.00 0.00 C ATOM 277 CG GLN A 18 15.358 -2.540 -0.704 1.00 0.00 C ATOM 278 CD GLN A 18 15.867 -1.473 -1.655 1.00 0.00 C ATOM 279 OE1 GLN A 18 16.700 -0.648 -1.288 1.00 0.00 O ATOM 280 NE2 GLN A 18 15.374 -1.484 -2.882 1.00 0.00 N ATOM 0 H GLN A 18 17.455 -5.906 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 18 15.890 -4.352 1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.255 -3.525 -0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.107 -4.266 -1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.329 -2.790 -0.960 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.346 -2.143 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.683 -2.186 -3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.684 -0.790 -3.563 1.00 0.00 H new ATOM 289 N ALA A 19 14.247 -6.273 -0.797 1.00 0.00 N ATOM 290 CA ALA A 19 12.942 -6.869 -1.053 1.00 0.00 C ATOM 291 C ALA A 19 12.444 -7.631 0.173 1.00 0.00 C ATOM 292 O ALA A 19 11.289 -7.491 0.576 1.00 0.00 O ATOM 293 CB ALA A 19 13.006 -7.792 -2.259 1.00 0.00 C ATOM 0 H ALA A 19 14.997 -6.629 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 19 12.237 -6.065 -1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.023 -8.228 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.314 -7.223 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.727 -8.587 -2.071 1.00 0.00 H new ATOM 299 N THR A 20 13.329 -8.421 0.772 1.00 0.00 N ATOM 300 CA THR A 20 12.994 -9.187 1.966 1.00 0.00 C ATOM 301 C THR A 20 12.681 -8.250 3.135 1.00 0.00 C ATOM 302 O THR A 20 11.776 -8.513 3.932 1.00 0.00 O ATOM 303 CB THR A 20 14.147 -10.139 2.351 1.00 0.00 C ATOM 304 OG1 THR A 20 14.510 -10.946 1.220 1.00 0.00 O ATOM 305 CG2 THR A 20 13.749 -11.045 3.507 1.00 0.00 C ATOM 0 H THR A 20 14.288 -8.547 0.448 1.00 0.00 H new ATOM 0 HA THR A 20 12.110 -9.784 1.744 1.00 0.00 H new ATOM 0 HB THR A 20 14.996 -9.531 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.936 -10.383 0.540 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.581 -11.704 3.756 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.496 -10.437 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.885 -11.644 3.219 1.00 0.00 H new ATOM 313 N ALA A 21 13.418 -7.144 3.208 1.00 0.00 N ATOM 314 CA ALA A 21 13.215 -6.150 4.255 1.00 0.00 C ATOM 315 C ALA A 21 11.803 -5.581 4.203 1.00 0.00 C ATOM 316 O ALA A 21 11.074 -5.623 5.194 1.00 0.00 O ATOM 317 CB ALA A 21 14.237 -5.032 4.128 1.00 0.00 C ATOM 0 H ALA A 21 14.164 -6.915 2.551 1.00 0.00 H new ATOM 0 HA ALA A 21 13.348 -6.642 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.073 -4.298 4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.241 -5.445 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.131 -4.551 3.156 1.00 0.00 H new ATOM 323 N LEU A 22 11.414 -5.073 3.035 1.00 0.00 N ATOM 324 CA LEU A 22 10.089 -4.484 2.865 1.00 0.00 C ATOM 325 C LEU A 22 8.998 -5.540 2.971 1.00 0.00 C ATOM 326 O LEU A 22 7.900 -5.255 3.442 1.00 0.00 O ATOM 327 CB LEU A 22 9.981 -3.740 1.529 1.00 0.00 C ATOM 328 CG LEU A 22 10.505 -2.295 1.534 1.00 0.00 C ATOM 329 CD1 LEU A 22 9.813 -1.478 2.620 1.00 0.00 C ATOM 330 CD2 LEU A 22 12.017 -2.256 1.713 1.00 0.00 C ATOM 0 H LEU A 22 11.995 -5.058 2.197 1.00 0.00 H new ATOM 0 HA LEU A 22 9.947 -3.764 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.528 -4.304 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.935 -3.728 1.223 1.00 0.00 H new ATOM 0 HG LEU A 22 10.273 -1.851 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.197 -0.458 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.739 -1.464 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.008 -1.928 3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.357 -1.220 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.283 -2.725 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.494 -2.795 0.895 1.00 0.00 H new ATOM 342 N LYS A 23 9.311 -6.760 2.551 1.00 0.00 N ATOM 343 CA LYS A 23 8.380 -7.879 2.666 1.00 0.00 C ATOM 344 C LYS A 23 7.966 -8.056 4.127 1.00 0.00 C ATOM 345 O LYS A 23 6.788 -8.224 4.443 1.00 0.00 O ATOM 346 CB LYS A 23 9.046 -9.155 2.127 1.00 0.00 C ATOM 347 CG LYS A 23 8.095 -10.312 1.839 1.00 0.00 C ATOM 348 CD LYS A 23 7.646 -11.034 3.101 1.00 0.00 C ATOM 349 CE LYS A 23 6.696 -12.173 2.780 1.00 0.00 C ATOM 350 NZ LYS A 23 6.251 -12.884 4.006 1.00 0.00 N ATOM 0 H LYS A 23 10.206 -7.001 2.126 1.00 0.00 H new ATOM 0 HA LYS A 23 7.485 -7.678 2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.580 -8.907 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.791 -9.489 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.219 -9.934 1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.586 -11.023 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.517 -11.423 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.156 -10.328 3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.827 -11.783 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.187 -12.878 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.604 -13.655 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.078 -13.278 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.759 -12.217 4.635 1.00 0.00 H new ATOM 364 N MET A 24 8.952 -7.993 5.009 1.00 0.00 N ATOM 365 CA MET A 24 8.723 -8.133 6.440 1.00 0.00 C ATOM 366 C MET A 24 8.105 -6.864 7.030 1.00 0.00 C ATOM 367 O MET A 24 7.177 -6.932 7.839 1.00 0.00 O ATOM 368 CB MET A 24 10.051 -8.449 7.133 1.00 0.00 C ATOM 369 CG MET A 24 9.978 -8.485 8.650 1.00 0.00 C ATOM 370 SD MET A 24 11.587 -8.822 9.397 1.00 0.00 S ATOM 371 CE MET A 24 12.573 -7.499 8.695 1.00 0.00 C ATOM 0 H MET A 24 9.929 -7.844 4.755 1.00 0.00 H new ATOM 0 HA MET A 24 8.019 -8.949 6.604 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.412 -9.414 6.776 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.788 -7.703 6.835 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.600 -7.531 9.017 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.267 -9.250 8.961 1.00 0.00 H new ATOM 0 HE1 MET A 24 13.445 -7.322 9.324 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.899 -7.780 7.694 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.975 -6.589 8.640 1.00 0.00 H new ATOM 381 N ASP A 25 8.614 -5.710 6.606 1.00 0.00 N ATOM 382 CA ASP A 25 8.193 -4.425 7.161 1.00 0.00 C ATOM 383 C ASP A 25 6.739 -4.118 6.821 1.00 0.00 C ATOM 384 O ASP A 25 5.984 -3.625 7.665 1.00 0.00 O ATOM 385 CB ASP A 25 9.094 -3.301 6.647 1.00 0.00 C ATOM 386 CG ASP A 25 8.837 -1.988 7.355 1.00 0.00 C ATOM 387 OD1 ASP A 25 9.317 -1.825 8.497 1.00 0.00 O ATOM 388 OD2 ASP A 25 8.159 -1.111 6.782 1.00 0.00 O ATOM 0 H ASP A 25 9.323 -5.638 5.876 1.00 0.00 H new ATOM 0 HA ASP A 25 8.282 -4.491 8.245 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.138 -3.585 6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.934 -3.171 5.577 1.00 0.00 H new ATOM 393 N LEU A 26 6.348 -4.422 5.585 1.00 0.00 N ATOM 394 CA LEU A 26 4.983 -4.190 5.129 1.00 0.00 C ATOM 395 C LEU A 26 4.001 -5.024 5.937 1.00 0.00 C ATOM 396 O LEU A 26 2.914 -4.559 6.277 1.00 0.00 O ATOM 397 CB LEU A 26 4.856 -4.525 3.637 1.00 0.00 C ATOM 398 CG LEU A 26 3.461 -4.338 3.033 1.00 0.00 C ATOM 399 CD1 LEU A 26 3.034 -2.880 3.109 1.00 0.00 C ATOM 400 CD2 LEU A 26 3.442 -4.825 1.591 1.00 0.00 C ATOM 0 H LEU A 26 6.962 -4.831 4.880 1.00 0.00 H new ATOM 0 HA LEU A 26 4.746 -3.136 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.559 -3.903 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.161 -5.561 3.488 1.00 0.00 H new ATOM 0 HG LEU A 26 2.752 -4.931 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.040 -2.769 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.012 -2.561 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.743 -2.264 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.445 -4.687 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.163 -4.255 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.704 -5.882 1.561 1.00 0.00 H new ATOM 412 N HIS A 27 4.400 -6.248 6.258 1.00 0.00 N ATOM 413 CA HIS A 27 3.548 -7.159 7.011 1.00 0.00 C ATOM 414 C HIS A 27 3.178 -6.570 8.371 1.00 0.00 C ATOM 415 O HIS A 27 2.027 -6.650 8.789 1.00 0.00 O ATOM 416 CB HIS A 27 4.240 -8.515 7.192 1.00 0.00 C ATOM 417 CG HIS A 27 3.467 -9.491 8.037 1.00 0.00 C ATOM 418 ND1 HIS A 27 3.943 -9.993 9.229 1.00 0.00 N ATOM 419 CD2 HIS A 27 2.246 -10.053 7.859 1.00 0.00 C ATOM 420 CE1 HIS A 27 3.052 -10.819 9.746 1.00 0.00 C ATOM 421 NE2 HIS A 27 2.011 -10.872 8.937 1.00 0.00 N ATOM 0 H HIS A 27 5.311 -6.633 6.008 1.00 0.00 H new ATOM 0 HA HIS A 27 2.630 -7.305 6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.412 -8.957 6.211 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.218 -8.354 7.645 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.581 -9.888 7.024 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.158 -11.360 10.675 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.170 -11.429 9.087 1.00 0.00 H new ATOM 430 N ASP A 28 4.152 -5.969 9.046 1.00 0.00 N ATOM 431 CA ASP A 28 3.927 -5.419 10.384 1.00 0.00 C ATOM 432 C ASP A 28 2.913 -4.279 10.350 1.00 0.00 C ATOM 433 O ASP A 28 2.032 -4.195 11.207 1.00 0.00 O ATOM 434 CB ASP A 28 5.244 -4.932 10.998 1.00 0.00 C ATOM 435 CG ASP A 28 5.062 -4.379 12.401 1.00 0.00 C ATOM 436 OD1 ASP A 28 4.722 -5.160 13.315 1.00 0.00 O ATOM 437 OD2 ASP A 28 5.266 -3.161 12.599 1.00 0.00 O ATOM 0 H ASP A 28 5.102 -5.849 8.693 1.00 0.00 H new ATOM 0 HA ASP A 28 3.523 -6.218 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.955 -5.757 11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.675 -4.161 10.360 1.00 0.00 H new ATOM 442 N LEU A 29 3.021 -3.419 9.347 1.00 0.00 N ATOM 443 CA LEU A 29 2.114 -2.284 9.226 1.00 0.00 C ATOM 444 C LEU A 29 0.732 -2.738 8.759 1.00 0.00 C ATOM 445 O LEU A 29 -0.278 -2.117 9.086 1.00 0.00 O ATOM 446 CB LEU A 29 2.684 -1.245 8.258 1.00 0.00 C ATOM 447 CG LEU A 29 1.902 0.070 8.188 1.00 0.00 C ATOM 448 CD1 LEU A 29 1.937 0.790 9.530 1.00 0.00 C ATOM 449 CD2 LEU A 29 2.457 0.964 7.089 1.00 0.00 C ATOM 0 H LEU A 29 3.722 -3.484 8.609 1.00 0.00 H new ATOM 0 HA LEU A 29 2.010 -1.827 10.210 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.711 -1.025 8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.722 -1.682 7.260 1.00 0.00 H new ATOM 0 HG LEU A 29 0.864 -0.163 7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.376 1.721 9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.490 0.155 10.295 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.970 1.009 9.798 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.889 1.894 7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.504 1.186 7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.376 0.454 6.129 1.00 0.00 H new ATOM 461 N ALA A 30 0.694 -3.828 7.999 1.00 0.00 N ATOM 462 CA ALA A 30 -0.569 -4.384 7.523 1.00 0.00 C ATOM 463 C ALA A 30 -1.352 -5.020 8.670 1.00 0.00 C ATOM 464 O ALA A 30 -2.581 -5.112 8.625 1.00 0.00 O ATOM 465 CB ALA A 30 -0.317 -5.401 6.421 1.00 0.00 C ATOM 0 H ALA A 30 1.522 -4.344 7.700 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.168 -3.570 7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.268 -5.807 6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.194 -4.917 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.304 -6.209 6.807 1.00 0.00 H new ATOM 471 N GLU A 31 -0.632 -5.471 9.690 1.00 0.00 N ATOM 472 CA GLU A 31 -1.255 -6.026 10.875 1.00 0.00 C ATOM 473 C GLU A 31 -1.714 -4.903 11.801 1.00 0.00 C ATOM 474 O GLU A 31 -2.842 -4.914 12.297 1.00 0.00 O ATOM 475 CB GLU A 31 -0.264 -6.934 11.605 1.00 0.00 C ATOM 476 CG GLU A 31 0.229 -8.114 10.778 1.00 0.00 C ATOM 477 CD GLU A 31 -0.825 -9.186 10.565 1.00 0.00 C ATOM 478 OE1 GLU A 31 -1.994 -8.847 10.297 1.00 0.00 O ATOM 479 OE2 GLU A 31 -0.476 -10.384 10.636 1.00 0.00 O ATOM 0 H GLU A 31 0.388 -5.461 9.716 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.124 -6.613 10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.595 -6.339 11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.736 -7.312 12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.568 -7.751 9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.093 -8.558 11.272 1.00 0.00 H new ATOM 486 N ASP A 32 -0.843 -3.918 12.003 1.00 0.00 N ATOM 487 CA ASP A 32 -1.138 -2.795 12.893 1.00 0.00 C ATOM 488 C ASP A 32 -1.800 -1.652 12.115 1.00 0.00 C ATOM 489 O ASP A 32 -1.398 -0.488 12.201 1.00 0.00 O ATOM 490 CB ASP A 32 0.147 -2.316 13.578 1.00 0.00 C ATOM 491 CG ASP A 32 -0.117 -1.364 14.733 1.00 0.00 C ATOM 492 OD1 ASP A 32 -1.040 -1.632 15.539 1.00 0.00 O ATOM 493 OD2 ASP A 32 0.606 -0.354 14.853 1.00 0.00 O ATOM 0 H ASP A 32 0.076 -3.873 11.562 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.836 -3.128 13.661 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.700 -3.180 13.946 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.781 -1.820 12.843 1.00 0.00 H new ATOM 498 N LEU A 33 -2.820 -2.008 11.348 1.00 0.00 N ATOM 499 CA LEU A 33 -3.597 -1.044 10.578 1.00 0.00 C ATOM 500 C LEU A 33 -4.396 -0.119 11.488 1.00 0.00 C ATOM 501 O LEU A 33 -4.518 -0.385 12.684 1.00 0.00 O ATOM 502 CB LEU A 33 -4.444 -1.753 9.517 1.00 0.00 C ATOM 503 CG LEU A 33 -3.698 -2.008 8.204 1.00 0.00 C ATOM 504 CD1 LEU A 33 -4.623 -2.621 7.169 1.00 0.00 C ATOM 505 CD2 LEU A 33 -3.095 -0.711 7.676 1.00 0.00 C ATOM 0 H LEU A 33 -3.133 -2.973 11.241 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.912 -0.394 10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.791 -2.705 9.918 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.330 -1.152 9.311 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.891 -2.714 8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.072 -2.793 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.010 -3.569 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.453 -1.942 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.568 -0.908 6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.890 0.014 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.396 -0.310 8.410 1.00 0.00 H new ATOM 517 N PRO A 34 -5.013 0.934 10.908 1.00 0.00 N ATOM 518 CA PRO A 34 -5.024 2.278 11.432 1.00 0.00 C ATOM 519 C PRO A 34 -4.332 2.459 12.775 1.00 0.00 C ATOM 520 O PRO A 34 -4.746 1.935 13.805 1.00 0.00 O ATOM 521 CB PRO A 34 -6.521 2.546 11.489 1.00 0.00 C ATOM 522 CG PRO A 34 -7.060 1.815 10.284 1.00 0.00 C ATOM 523 CD PRO A 34 -5.949 0.899 9.789 1.00 0.00 C ATOM 0 HA PRO A 34 -4.452 2.976 10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.960 2.172 12.414 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.739 3.613 11.441 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.947 1.239 10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.356 2.519 9.506 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.310 -0.110 9.589 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.498 1.265 8.867 1.00 0.00 H new ATOM 531 N THR A 35 -3.348 3.343 12.692 1.00 0.00 N ATOM 532 CA THR A 35 -2.453 3.767 13.766 1.00 0.00 C ATOM 533 C THR A 35 -1.239 4.396 13.084 1.00 0.00 C ATOM 534 O THR A 35 -0.855 5.525 13.369 1.00 0.00 O ATOM 535 CB THR A 35 -1.978 2.614 14.699 1.00 0.00 C ATOM 536 OG1 THR A 35 -3.019 2.234 15.609 1.00 0.00 O ATOM 537 CG2 THR A 35 -0.757 3.027 15.504 1.00 0.00 C ATOM 0 H THR A 35 -3.137 3.817 11.814 1.00 0.00 H new ATOM 0 HA THR A 35 -2.995 4.456 14.414 1.00 0.00 H new ATOM 0 HB THR A 35 -1.721 1.769 14.060 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.759 1.831 15.109 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.448 2.202 16.146 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.057 3.283 14.825 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.002 3.893 16.119 1.00 0.00 H new ATOM 545 N GLY A 36 -0.682 3.649 12.133 1.00 0.00 N ATOM 546 CA GLY A 36 0.396 4.152 11.300 1.00 0.00 C ATOM 547 C GLY A 36 -0.020 4.211 9.840 1.00 0.00 C ATOM 548 O GLY A 36 0.817 4.165 8.936 1.00 0.00 O ATOM 0 H GLY A 36 -0.964 2.691 11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.687 5.146 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.271 3.510 11.406 1.00 0.00 H new ATOM 552 N TRP A 37 -1.331 4.319 9.625 1.00 0.00 N ATOM 553 CA TRP A 37 -1.927 4.338 8.289 1.00 0.00 C ATOM 554 C TRP A 37 -1.383 5.481 7.432 1.00 0.00 C ATOM 555 O TRP A 37 -1.395 5.407 6.205 1.00 0.00 O ATOM 556 CB TRP A 37 -3.455 4.449 8.399 1.00 0.00 C ATOM 557 CG TRP A 37 -3.919 5.719 9.049 1.00 0.00 C ATOM 558 CD1 TRP A 37 -3.990 5.979 10.387 1.00 0.00 C ATOM 559 CD2 TRP A 37 -4.383 6.904 8.384 1.00 0.00 C ATOM 560 NE1 TRP A 37 -4.457 7.253 10.595 1.00 0.00 N ATOM 561 CE2 TRP A 37 -4.711 7.839 9.382 1.00 0.00 C ATOM 562 CE3 TRP A 37 -4.552 7.262 7.041 1.00 0.00 C ATOM 563 CZ2 TRP A 37 -5.195 9.110 9.082 1.00 0.00 C ATOM 564 CZ3 TRP A 37 -5.034 8.524 6.745 1.00 0.00 C ATOM 565 CH2 TRP A 37 -5.352 9.433 7.760 1.00 0.00 C ATOM 0 H TRP A 37 -2.014 4.396 10.378 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.659 3.403 7.797 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.889 4.382 7.401 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.833 3.600 8.969 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.718 5.284 11.168 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.593 7.693 11.505 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.311 6.566 6.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.438 9.815 9.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.167 8.813 5.713 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.729 10.410 7.496 1.00 0.00 H new ATOM 576 N ASN A 38 -0.901 6.533 8.082 1.00 0.00 N ATOM 577 CA ASN A 38 -0.359 7.687 7.374 1.00 0.00 C ATOM 578 C ASN A 38 0.882 7.298 6.571 1.00 0.00 C ATOM 579 O ASN A 38 1.218 7.935 5.574 1.00 0.00 O ATOM 580 CB ASN A 38 -0.011 8.791 8.374 1.00 0.00 C ATOM 581 CG ASN A 38 0.468 10.073 7.714 1.00 0.00 C ATOM 582 OD1 ASN A 38 1.351 10.752 8.235 1.00 0.00 O ATOM 583 ND2 ASN A 38 -0.126 10.435 6.586 1.00 0.00 N ATOM 0 H ASN A 38 -0.874 6.611 9.099 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.115 8.054 6.679 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.889 9.010 8.982 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.763 8.428 9.050 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.146 11.302 6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.855 9.847 6.182 1.00 0.00 H new ATOM 590 N ARG A 39 1.542 6.226 6.995 1.00 0.00 N ATOM 591 CA ARG A 39 2.807 5.826 6.391 1.00 0.00 C ATOM 592 C ARG A 39 2.626 4.618 5.465 1.00 0.00 C ATOM 593 O ARG A 39 3.601 4.080 4.933 1.00 0.00 O ATOM 594 CB ARG A 39 3.823 5.518 7.494 1.00 0.00 C ATOM 595 CG ARG A 39 5.270 5.641 7.050 1.00 0.00 C ATOM 596 CD ARG A 39 6.210 5.551 8.241 1.00 0.00 C ATOM 597 NE ARG A 39 7.616 5.698 7.862 1.00 0.00 N ATOM 598 CZ ARG A 39 8.585 6.025 8.720 1.00 0.00 C ATOM 599 NH1 ARG A 39 8.291 6.363 9.971 1.00 0.00 N ATOM 600 NH2 ARG A 39 9.846 6.053 8.321 1.00 0.00 N ATOM 0 H ARG A 39 1.224 5.621 7.752 1.00 0.00 H new ATOM 0 HA ARG A 39 3.178 6.649 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.652 6.194 8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.651 4.506 7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.504 4.852 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.418 6.590 6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.950 6.324 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.070 4.591 8.738 1.00 0.00 H new ATOM 0 HE ARG A 39 7.870 5.542 6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.319 6.374 10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.037 6.612 10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.080 5.824 7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.584 6.303 8.979 1.00 0.00 H new ATOM 614 N ILE A 40 1.374 4.206 5.261 1.00 0.00 N ATOM 615 CA ILE A 40 1.066 3.056 4.401 1.00 0.00 C ATOM 616 C ILE A 40 1.647 3.241 3.001 1.00 0.00 C ATOM 617 O ILE A 40 2.349 2.365 2.491 1.00 0.00 O ATOM 618 CB ILE A 40 -0.459 2.814 4.276 1.00 0.00 C ATOM 619 CG1 ILE A 40 -1.040 2.356 5.613 1.00 0.00 C ATOM 620 CG2 ILE A 40 -0.754 1.782 3.192 1.00 0.00 C ATOM 621 CD1 ILE A 40 -2.536 2.123 5.574 1.00 0.00 C ATOM 0 H ILE A 40 0.555 4.649 5.678 1.00 0.00 H new ATOM 0 HA ILE A 40 1.523 2.189 4.878 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.931 3.756 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.545 1.434 5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.817 3.105 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.831 1.627 3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.375 2.141 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.268 0.840 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.880 1.800 6.557 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.041 3.049 5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.765 1.352 4.838 1.00 0.00 H new ATOM 633 N MET A 41 1.360 4.393 2.399 1.00 0.00 N ATOM 634 CA MET A 41 1.793 4.683 1.036 1.00 0.00 C ATOM 635 C MET A 41 3.307 4.545 0.902 1.00 0.00 C ATOM 636 O MET A 41 3.796 3.929 -0.040 1.00 0.00 O ATOM 637 CB MET A 41 1.363 6.094 0.626 1.00 0.00 C ATOM 638 CG MET A 41 1.661 6.424 -0.829 1.00 0.00 C ATOM 639 SD MET A 41 0.668 5.456 -1.985 1.00 0.00 S ATOM 640 CE MET A 41 -0.969 6.111 -1.662 1.00 0.00 C ATOM 0 H MET A 41 0.827 5.144 2.837 1.00 0.00 H new ATOM 0 HA MET A 41 1.319 3.959 0.374 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.293 6.204 0.803 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.868 6.819 1.265 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.479 7.485 -1.001 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.718 6.246 -1.028 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.523 6.185 -2.598 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.498 5.447 -0.979 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.883 7.100 -1.212 1.00 0.00 H new ATOM 650 N GLU A 42 4.034 5.108 1.861 1.00 0.00 N ATOM 651 CA GLU A 42 5.497 5.052 1.861 1.00 0.00 C ATOM 652 C GLU A 42 5.986 3.614 1.826 1.00 0.00 C ATOM 653 O GLU A 42 6.773 3.232 0.959 1.00 0.00 O ATOM 654 CB GLU A 42 6.046 5.728 3.115 1.00 0.00 C ATOM 655 CG GLU A 42 7.566 5.779 3.167 1.00 0.00 C ATOM 656 CD GLU A 42 8.090 6.168 4.533 1.00 0.00 C ATOM 657 OE1 GLU A 42 8.115 7.376 4.841 1.00 0.00 O ATOM 658 OE2 GLU A 42 8.476 5.262 5.305 1.00 0.00 O ATOM 0 H GLU A 42 3.635 5.611 2.653 1.00 0.00 H new ATOM 0 HA GLU A 42 5.851 5.571 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.655 6.744 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.679 5.197 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.968 4.804 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.927 6.493 2.427 1.00 0.00 H new ATOM 665 N VAL A 43 5.519 2.831 2.783 1.00 0.00 N ATOM 666 CA VAL A 43 5.916 1.433 2.889 1.00 0.00 C ATOM 667 C VAL A 43 5.557 0.672 1.616 1.00 0.00 C ATOM 668 O VAL A 43 6.372 -0.083 1.088 1.00 0.00 O ATOM 669 CB VAL A 43 5.262 0.744 4.107 1.00 0.00 C ATOM 670 CG1 VAL A 43 5.768 -0.683 4.262 1.00 0.00 C ATOM 671 CG2 VAL A 43 5.531 1.542 5.375 1.00 0.00 C ATOM 0 H VAL A 43 4.863 3.138 3.501 1.00 0.00 H new ATOM 0 HA VAL A 43 6.997 1.416 3.027 1.00 0.00 H new ATOM 0 HB VAL A 43 4.186 0.706 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.292 -1.146 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.526 -1.254 3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.849 -0.672 4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.064 1.044 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.606 1.610 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.116 2.544 5.269 1.00 0.00 H new ATOM 681 N ALA A 44 4.346 0.896 1.116 1.00 0.00 N ATOM 682 CA ALA A 44 3.891 0.251 -0.109 1.00 0.00 C ATOM 683 C ALA A 44 4.777 0.638 -1.291 1.00 0.00 C ATOM 684 O ALA A 44 5.154 -0.212 -2.102 1.00 0.00 O ATOM 685 CB ALA A 44 2.444 0.615 -0.389 1.00 0.00 C ATOM 0 H ALA A 44 3.661 1.521 1.542 1.00 0.00 H new ATOM 0 HA ALA A 44 3.961 -0.828 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.117 0.126 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.819 0.285 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.356 1.696 -0.502 1.00 0.00 H new ATOM 691 N GLU A 45 5.111 1.921 -1.376 1.00 0.00 N ATOM 692 CA GLU A 45 5.986 2.422 -2.417 1.00 0.00 C ATOM 693 C GLU A 45 7.359 1.763 -2.347 1.00 0.00 C ATOM 694 O GLU A 45 7.880 1.296 -3.357 1.00 0.00 O ATOM 695 CB GLU A 45 6.121 3.940 -2.304 1.00 0.00 C ATOM 696 CG GLU A 45 4.940 4.703 -2.881 1.00 0.00 C ATOM 697 CD GLU A 45 5.221 6.184 -3.027 1.00 0.00 C ATOM 698 OE1 GLU A 45 5.045 6.930 -2.044 1.00 0.00 O ATOM 699 OE2 GLU A 45 5.624 6.610 -4.136 1.00 0.00 O ATOM 0 H GLU A 45 4.782 2.636 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 45 5.543 2.174 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.238 4.208 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.030 4.254 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.684 4.287 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.072 4.563 -2.237 1.00 0.00 H new ATOM 706 N LYS A 46 7.927 1.712 -1.147 1.00 0.00 N ATOM 707 CA LYS A 46 9.248 1.121 -0.943 1.00 0.00 C ATOM 708 C LYS A 46 9.228 -0.380 -1.208 1.00 0.00 C ATOM 709 O LYS A 46 10.226 -0.963 -1.634 1.00 0.00 O ATOM 710 CB LYS A 46 9.743 1.393 0.470 1.00 0.00 C ATOM 711 CG LYS A 46 9.963 2.863 0.736 1.00 0.00 C ATOM 712 CD LYS A 46 10.492 3.110 2.130 1.00 0.00 C ATOM 713 CE LYS A 46 9.506 2.660 3.200 1.00 0.00 C ATOM 714 NZ LYS A 46 9.918 3.098 4.560 1.00 0.00 N ATOM 0 H LYS A 46 7.493 2.073 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 46 9.932 1.585 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.020 1.002 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.676 0.854 0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.665 3.263 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.024 3.401 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.435 2.579 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.704 4.172 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.518 3.062 2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.421 1.574 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.972 2.272 5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.850 3.556 4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.220 3.773 4.934 1.00 0.00 H new ATOM 728 N THR A 47 8.090 -1.004 -0.952 1.00 0.00 N ATOM 729 CA THR A 47 7.930 -2.414 -1.245 1.00 0.00 C ATOM 730 C THR A 47 7.928 -2.634 -2.754 1.00 0.00 C ATOM 731 O THR A 47 8.678 -3.459 -3.275 1.00 0.00 O ATOM 732 CB THR A 47 6.627 -2.972 -0.630 1.00 0.00 C ATOM 733 OG1 THR A 47 6.608 -2.729 0.782 1.00 0.00 O ATOM 734 CG2 THR A 47 6.499 -4.467 -0.884 1.00 0.00 C ATOM 0 H THR A 47 7.269 -0.557 -0.544 1.00 0.00 H new ATOM 0 HA THR A 47 8.769 -2.949 -0.800 1.00 0.00 H new ATOM 0 HB THR A 47 5.787 -2.463 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.289 -1.818 0.953 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.573 -4.833 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.486 -4.654 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.346 -4.986 -0.436 1.00 0.00 H new ATOM 742 N TYR A 48 7.108 -1.863 -3.455 1.00 0.00 N ATOM 743 CA TYR A 48 6.979 -2.010 -4.897 1.00 0.00 C ATOM 744 C TYR A 48 8.262 -1.596 -5.610 1.00 0.00 C ATOM 745 O TYR A 48 8.656 -2.228 -6.591 1.00 0.00 O ATOM 746 CB TYR A 48 5.798 -1.190 -5.422 1.00 0.00 C ATOM 747 CG TYR A 48 5.495 -1.443 -6.883 1.00 0.00 C ATOM 748 CD1 TYR A 48 4.758 -2.553 -7.273 1.00 0.00 C ATOM 749 CD2 TYR A 48 5.957 -0.585 -7.874 1.00 0.00 C ATOM 750 CE1 TYR A 48 4.485 -2.799 -8.606 1.00 0.00 C ATOM 751 CE2 TYR A 48 5.690 -0.826 -9.210 1.00 0.00 C ATOM 752 CZ TYR A 48 4.955 -1.935 -9.571 1.00 0.00 C ATOM 753 OH TYR A 48 4.690 -2.182 -10.899 1.00 0.00 O ATOM 0 H TYR A 48 6.524 -1.132 -3.049 1.00 0.00 H new ATOM 0 HA TYR A 48 6.795 -3.064 -5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.913 -1.421 -4.829 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.009 -0.130 -5.280 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.391 -3.237 -6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.534 0.285 -7.596 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.906 -3.665 -8.890 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.056 -0.148 -9.967 1.00 0.00 H new ATOM 0 HH TYR A 48 3.800 -2.582 -10.986 1.00 0.00 H new ATOM 763 N GLU A 49 8.917 -0.548 -5.110 1.00 0.00 N ATOM 764 CA GLU A 49 10.122 -0.028 -5.737 1.00 0.00 C ATOM 765 C GLU A 49 11.198 -1.112 -5.820 1.00 0.00 C ATOM 766 O GLU A 49 11.816 -1.310 -6.868 1.00 0.00 O ATOM 767 CB GLU A 49 10.641 1.204 -4.972 1.00 0.00 C ATOM 768 CG GLU A 49 11.386 0.906 -3.678 1.00 0.00 C ATOM 769 CD GLU A 49 12.110 2.119 -3.130 1.00 0.00 C ATOM 770 OE1 GLU A 49 12.942 2.693 -3.858 1.00 0.00 O ATOM 771 OE2 GLU A 49 11.863 2.494 -1.966 1.00 0.00 O ATOM 0 H GLU A 49 8.629 -0.045 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 49 9.876 0.282 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.303 1.767 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.794 1.851 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.680 0.541 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.106 0.106 -3.853 1.00 0.00 H new ATOM 778 N ALA A 50 11.384 -1.829 -4.721 1.00 0.00 N ATOM 779 CA ALA A 50 12.381 -2.890 -4.649 1.00 0.00 C ATOM 780 C ALA A 50 12.035 -4.048 -5.578 1.00 0.00 C ATOM 781 O ALA A 50 12.890 -4.522 -6.320 1.00 0.00 O ATOM 782 CB ALA A 50 12.524 -3.382 -3.217 1.00 0.00 C ATOM 0 H ALA A 50 10.854 -1.694 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 50 13.334 -2.476 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.272 -4.174 -3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.836 -2.556 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.567 -3.769 -2.868 1.00 0.00 H new ATOM 788 N TYR A 51 10.783 -4.493 -5.543 1.00 0.00 N ATOM 789 CA TYR A 51 10.346 -5.597 -6.390 1.00 0.00 C ATOM 790 C TYR A 51 10.415 -5.218 -7.864 1.00 0.00 C ATOM 791 O TYR A 51 10.808 -6.028 -8.705 1.00 0.00 O ATOM 792 CB TYR A 51 8.934 -6.041 -6.012 1.00 0.00 C ATOM 793 CG TYR A 51 8.891 -6.925 -4.786 1.00 0.00 C ATOM 794 CD1 TYR A 51 9.027 -8.301 -4.899 1.00 0.00 C ATOM 795 CD2 TYR A 51 8.720 -6.386 -3.520 1.00 0.00 C ATOM 796 CE1 TYR A 51 8.991 -9.116 -3.785 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.683 -7.193 -2.401 1.00 0.00 C ATOM 798 CZ TYR A 51 8.821 -8.554 -2.538 1.00 0.00 C ATOM 799 OH TYR A 51 8.773 -9.359 -1.425 1.00 0.00 O ATOM 0 H TYR A 51 10.056 -4.108 -4.940 1.00 0.00 H new ATOM 0 HA TYR A 51 11.024 -6.434 -6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.318 -5.159 -5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.492 -6.576 -6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.163 -8.742 -5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.614 -5.317 -3.408 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.095 -10.186 -3.890 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.546 -6.757 -1.422 1.00 0.00 H new ATOM 0 HH TYR A 51 9.317 -10.160 -1.577 1.00 0.00 H new ATOM 809 N ARG A 52 10.045 -3.980 -8.167 1.00 0.00 N ATOM 810 CA ARG A 52 10.156 -3.460 -9.521 1.00 0.00 C ATOM 811 C ARG A 52 11.615 -3.483 -9.962 1.00 0.00 C ATOM 812 O ARG A 52 11.950 -4.093 -10.970 1.00 0.00 O ATOM 813 CB ARG A 52 9.583 -2.036 -9.589 1.00 0.00 C ATOM 814 CG ARG A 52 9.868 -1.295 -10.890 1.00 0.00 C ATOM 815 CD ARG A 52 9.423 -2.083 -12.111 1.00 0.00 C ATOM 816 NE ARG A 52 8.007 -2.432 -12.073 1.00 0.00 N ATOM 817 CZ ARG A 52 7.487 -3.465 -12.734 1.00 0.00 C ATOM 818 NH1 ARG A 52 8.259 -4.221 -13.507 1.00 0.00 N ATOM 819 NH2 ARG A 52 6.196 -3.738 -12.633 1.00 0.00 N ATOM 0 H ARG A 52 9.665 -3.318 -7.491 1.00 0.00 H new ATOM 0 HA ARG A 52 9.579 -4.089 -10.199 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.504 -2.086 -9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.989 -1.456 -8.760 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.358 -0.332 -10.876 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.936 -1.089 -10.962 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.624 -1.498 -13.008 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.015 -2.995 -12.185 1.00 0.00 H new ATOM 0 HE ARG A 52 7.382 -1.854 -11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.253 -4.011 -13.596 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.857 -5.011 -14.012 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.596 -3.157 -12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.801 -4.530 -13.140 1.00 0.00 H new ATOM 833 N GLN A 53 12.476 -2.851 -9.175 1.00 0.00 N ATOM 834 CA GLN A 53 13.904 -2.789 -9.475 1.00 0.00 C ATOM 835 C GLN A 53 14.521 -4.184 -9.559 1.00 0.00 C ATOM 836 O GLN A 53 15.392 -4.434 -10.395 1.00 0.00 O ATOM 837 CB GLN A 53 14.622 -1.959 -8.406 1.00 0.00 C ATOM 838 CG GLN A 53 14.407 -0.459 -8.545 1.00 0.00 C ATOM 839 CD GLN A 53 15.037 0.124 -9.800 1.00 0.00 C ATOM 840 OE1 GLN A 53 15.160 -0.547 -10.824 1.00 0.00 O ATOM 841 NE2 GLN A 53 15.446 1.379 -9.727 1.00 0.00 N ATOM 0 H GLN A 53 12.209 -2.370 -8.316 1.00 0.00 H new ATOM 0 HA GLN A 53 14.025 -2.314 -10.449 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.278 -2.276 -7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.690 -2.169 -8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.337 -0.251 -8.554 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.822 0.043 -7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.327 1.904 -8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.880 1.822 -10.537 1.00 0.00 H new ATOM 850 N LEU A 54 14.067 -5.081 -8.693 1.00 0.00 N ATOM 851 CA LEU A 54 14.544 -6.456 -8.693 1.00 0.00 C ATOM 852 C LEU A 54 14.244 -7.126 -10.027 1.00 0.00 C ATOM 853 O LEU A 54 15.136 -7.684 -10.663 1.00 0.00 O ATOM 854 CB LEU A 54 13.897 -7.246 -7.551 1.00 0.00 C ATOM 855 CG LEU A 54 14.315 -8.716 -7.447 1.00 0.00 C ATOM 856 CD1 LEU A 54 15.805 -8.837 -7.169 1.00 0.00 C ATOM 857 CD2 LEU A 54 13.512 -9.425 -6.365 1.00 0.00 C ATOM 0 H LEU A 54 13.367 -4.879 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 54 15.624 -6.444 -8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.135 -6.751 -6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.814 -7.202 -7.669 1.00 0.00 H new ATOM 0 HG LEU A 54 14.107 -9.196 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.078 -9.890 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.365 -8.370 -7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.041 -8.338 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 54 13.823 -10.468 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 54 13.687 -8.939 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 54 12.451 -9.376 -6.609 1.00 0.00 H new ATOM 869 N ASP A 55 12.990 -7.045 -10.461 1.00 0.00 N ATOM 870 CA ASP A 55 12.580 -7.673 -11.713 1.00 0.00 C ATOM 871 C ASP A 55 13.218 -6.964 -12.900 1.00 0.00 C ATOM 872 O ASP A 55 13.649 -7.607 -13.853 1.00 0.00 O ATOM 873 CB ASP A 55 11.057 -7.678 -11.857 1.00 0.00 C ATOM 874 CG ASP A 55 10.605 -8.424 -13.100 1.00 0.00 C ATOM 875 OD1 ASP A 55 10.833 -9.647 -13.178 1.00 0.00 O ATOM 876 OD2 ASP A 55 10.008 -7.793 -14.000 1.00 0.00 O ATOM 0 H ASP A 55 12.244 -6.554 -9.968 1.00 0.00 H new ATOM 0 HA ASP A 55 12.923 -8.708 -11.695 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.611 -8.139 -10.976 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.693 -6.651 -11.898 1.00 0.00 H new ATOM 881 N GLU A 56 13.301 -5.640 -12.819 1.00 0.00 N ATOM 882 CA GLU A 56 13.950 -4.843 -13.857 1.00 0.00 C ATOM 883 C GLU A 56 15.381 -5.316 -14.079 1.00 0.00 C ATOM 884 O GLU A 56 15.800 -5.553 -15.214 1.00 0.00 O ATOM 885 CB GLU A 56 13.940 -3.356 -13.479 1.00 0.00 C ATOM 886 CG GLU A 56 12.561 -2.717 -13.521 1.00 0.00 C ATOM 887 CD GLU A 56 11.839 -2.958 -14.831 1.00 0.00 C ATOM 888 OE1 GLU A 56 12.310 -2.454 -15.873 1.00 0.00 O ATOM 889 OE2 GLU A 56 10.784 -3.634 -14.818 1.00 0.00 O ATOM 0 H GLU A 56 12.926 -5.094 -12.043 1.00 0.00 H new ATOM 0 HA GLU A 56 13.392 -4.972 -14.784 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.351 -3.244 -12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.601 -2.815 -14.156 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.959 -3.111 -12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.658 -1.644 -13.358 1.00 0.00 H new ATOM 896 N PHE A 57 16.119 -5.470 -12.987 1.00 0.00 N ATOM 897 CA PHE A 57 17.489 -5.957 -13.054 1.00 0.00 C ATOM 898 C PHE A 57 17.522 -7.363 -13.640 1.00 0.00 C ATOM 899 O PHE A 57 18.374 -7.678 -14.470 1.00 0.00 O ATOM 900 CB PHE A 57 18.133 -5.941 -11.663 1.00 0.00 C ATOM 901 CG PHE A 57 19.545 -6.454 -11.642 1.00 0.00 C ATOM 902 CD1 PHE A 57 20.570 -5.715 -12.205 1.00 0.00 C ATOM 903 CD2 PHE A 57 19.844 -7.676 -11.061 1.00 0.00 C ATOM 904 CE1 PHE A 57 21.869 -6.181 -12.188 1.00 0.00 C ATOM 905 CE2 PHE A 57 21.142 -8.148 -11.039 1.00 0.00 C ATOM 906 CZ PHE A 57 22.157 -7.399 -11.605 1.00 0.00 C ATOM 0 H PHE A 57 15.790 -5.264 -12.044 1.00 0.00 H new ATOM 0 HA PHE A 57 18.061 -5.296 -13.705 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.121 -4.921 -11.279 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.528 -6.543 -10.986 1.00 0.00 H new ATOM 0 HD1 PHE A 57 20.351 -4.762 -12.663 1.00 0.00 H new ATOM 0 HD2 PHE A 57 19.054 -8.266 -10.621 1.00 0.00 H new ATOM 0 HE1 PHE A 57 22.660 -5.593 -12.630 1.00 0.00 H new ATOM 0 HE2 PHE A 57 21.364 -9.100 -10.580 1.00 0.00 H new ATOM 0 HZ PHE A 57 23.173 -7.766 -11.591 1.00 0.00 H new ATOM 916 N ARG A 58 16.567 -8.191 -13.225 1.00 0.00 N ATOM 917 CA ARG A 58 16.478 -9.567 -13.682 1.00 0.00 C ATOM 918 C ARG A 58 16.212 -9.644 -15.182 1.00 0.00 C ATOM 919 O ARG A 58 16.751 -10.508 -15.864 1.00 0.00 O ATOM 920 CB ARG A 58 15.384 -10.295 -12.902 1.00 0.00 C ATOM 921 CG ARG A 58 15.753 -10.560 -11.451 1.00 0.00 C ATOM 922 CD ARG A 58 14.531 -10.881 -10.602 1.00 0.00 C ATOM 923 NE ARG A 58 13.938 -12.179 -10.916 1.00 0.00 N ATOM 924 CZ ARG A 58 12.886 -12.684 -10.269 1.00 0.00 C ATOM 925 NH1 ARG A 58 12.276 -11.976 -9.325 1.00 0.00 N ATOM 926 NH2 ARG A 58 12.432 -13.894 -10.560 1.00 0.00 N ATOM 0 H ARG A 58 15.837 -7.924 -12.564 1.00 0.00 H new ATOM 0 HA ARG A 58 17.436 -10.053 -13.499 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.469 -9.703 -12.934 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.167 -11.244 -13.393 1.00 0.00 H new ATOM 0 HG2 ARG A 58 16.457 -11.391 -11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 58 16.261 -9.687 -11.041 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.813 -10.862 -9.549 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.782 -10.102 -10.745 1.00 0.00 H new ATOM 0 HE ARG A 58 14.350 -12.728 -11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.611 -11.041 -9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.472 -12.367 -8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.887 -14.449 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.627 -14.271 -10.059 1.00 0.00 H new ATOM 940 N LYS A 59 15.392 -8.739 -15.695 1.00 0.00 N ATOM 941 CA LYS A 59 15.081 -8.718 -17.122 1.00 0.00 C ATOM 942 C LYS A 59 16.253 -8.183 -17.921 1.00 0.00 C ATOM 943 O LYS A 59 16.563 -8.681 -19.006 1.00 0.00 O ATOM 944 CB LYS A 59 13.841 -7.864 -17.383 1.00 0.00 C ATOM 945 CG LYS A 59 12.608 -8.339 -16.635 1.00 0.00 C ATOM 946 CD LYS A 59 12.242 -9.761 -17.019 1.00 0.00 C ATOM 947 CE LYS A 59 10.976 -10.224 -16.313 1.00 0.00 C ATOM 948 NZ LYS A 59 9.867 -9.247 -16.460 1.00 0.00 N ATOM 0 H LYS A 59 14.930 -8.011 -15.150 1.00 0.00 H new ATOM 0 HA LYS A 59 14.882 -9.741 -17.440 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.053 -6.833 -17.099 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.629 -7.863 -18.452 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.789 -8.285 -15.561 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.771 -7.675 -16.851 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.101 -9.822 -18.098 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.065 -10.430 -16.767 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.667 -11.187 -16.719 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.187 -10.377 -15.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.960 -9.754 -16.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.868 -8.596 -15.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.996 -8.705 -17.338 1.00 0.00 H new ATOM 962 N SER A 60 16.895 -7.165 -17.379 1.00 0.00 N ATOM 963 CA SER A 60 18.077 -6.591 -17.999 1.00 0.00 C ATOM 964 C SER A 60 19.183 -7.632 -18.085 1.00 0.00 C ATOM 965 O SER A 60 19.756 -7.864 -19.151 1.00 0.00 O ATOM 966 CB SER A 60 18.555 -5.368 -17.207 1.00 0.00 C ATOM 967 OG SER A 60 19.666 -4.751 -17.835 1.00 0.00 O ATOM 0 H SER A 60 16.617 -6.716 -16.506 1.00 0.00 H new ATOM 0 HA SER A 60 17.821 -6.270 -19.009 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.740 -4.650 -17.116 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.828 -5.670 -16.196 1.00 0.00 H new ATOM 0 HG SER A 60 19.949 -3.974 -17.310 1.00 0.00 H new ATOM 973 N THR A 61 19.452 -8.287 -16.967 1.00 0.00 N ATOM 974 CA THR A 61 20.544 -9.240 -16.902 1.00 0.00 C ATOM 975 C THR A 61 20.204 -10.529 -17.647 1.00 0.00 C ATOM 976 O THR A 61 21.095 -11.171 -18.184 1.00 0.00 O ATOM 977 CB THR A 61 20.959 -9.554 -15.441 1.00 0.00 C ATOM 978 OG1 THR A 61 22.216 -10.240 -15.430 1.00 0.00 O ATOM 979 CG2 THR A 61 19.920 -10.402 -14.725 1.00 0.00 C ATOM 0 H THR A 61 18.931 -8.176 -16.097 1.00 0.00 H new ATOM 0 HA THR A 61 21.396 -8.771 -17.395 1.00 0.00 H new ATOM 0 HB THR A 61 21.042 -8.604 -14.913 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.699 -10.025 -14.605 1.00 0.00 H new ATOM 0 HG21 THR A 61 20.251 -10.598 -13.705 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.969 -9.870 -14.702 1.00 0.00 H new ATOM 0 HG23 THR A 61 19.794 -11.347 -15.254 1.00 0.00 H new ATOM 1204 N ALA B 5 -28.008 13.955 11.124 1.00 0.00 N ATOM 1205 CA ALA B 5 -27.114 12.968 11.719 1.00 0.00 C ATOM 1206 C ALA B 5 -27.338 11.580 11.131 1.00 0.00 C ATOM 1207 O ALA B 5 -26.421 10.768 11.097 1.00 0.00 O ATOM 1208 CB ALA B 5 -27.284 12.940 13.228 1.00 0.00 C ATOM 0 HA ALA B 5 -26.092 13.264 11.485 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -26.610 12.198 13.656 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -27.051 13.922 13.639 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -28.313 12.679 13.473 1.00 0.00 H new ATOM 1214 N GLU B 6 -28.552 11.315 10.661 1.00 0.00 N ATOM 1215 CA GLU B 6 -28.866 10.031 10.045 1.00 0.00 C ATOM 1216 C GLU B 6 -28.066 9.843 8.762 1.00 0.00 C ATOM 1217 O GLU B 6 -27.336 8.864 8.604 1.00 0.00 O ATOM 1218 CB GLU B 6 -30.360 9.945 9.739 1.00 0.00 C ATOM 1219 CG GLU B 6 -31.242 10.118 10.957 1.00 0.00 C ATOM 1220 CD GLU B 6 -32.710 9.951 10.625 1.00 0.00 C ATOM 1221 OE1 GLU B 6 -33.180 8.798 10.550 1.00 0.00 O ATOM 1222 OE2 GLU B 6 -33.396 10.970 10.418 1.00 0.00 O ATOM 0 H GLU B 6 -29.333 11.970 10.695 1.00 0.00 H new ATOM 0 HA GLU B 6 -28.598 9.240 10.745 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -30.616 10.709 9.005 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -30.573 8.979 9.281 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -30.957 9.390 11.717 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -31.078 11.107 11.386 1.00 0.00 H new ATOM 1229 N GLU B 7 -28.201 10.804 7.861 1.00 0.00 N ATOM 1230 CA GLU B 7 -27.495 10.774 6.584 1.00 0.00 C ATOM 1231 C GLU B 7 -25.995 10.881 6.804 1.00 0.00 C ATOM 1232 O GLU B 7 -25.200 10.267 6.094 1.00 0.00 O ATOM 1233 CB GLU B 7 -27.975 11.920 5.700 1.00 0.00 C ATOM 1234 CG GLU B 7 -27.575 11.776 4.242 1.00 0.00 C ATOM 1235 CD GLU B 7 -28.213 12.824 3.356 1.00 0.00 C ATOM 1236 OE1 GLU B 7 -29.431 12.723 3.099 1.00 0.00 O ATOM 1237 OE2 GLU B 7 -27.506 13.745 2.909 1.00 0.00 O ATOM 0 H GLU B 7 -28.797 11.621 7.990 1.00 0.00 H new ATOM 0 HA GLU B 7 -27.707 9.826 6.089 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -29.061 11.986 5.765 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -27.575 12.857 6.086 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -26.491 11.846 4.158 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -27.858 10.785 3.888 1.00 0.00 H new ATOM 1244 N LEU B 8 -25.621 11.660 7.807 1.00 0.00 N ATOM 1245 CA LEU B 8 -24.232 11.833 8.175 1.00 0.00 C ATOM 1246 C LEU B 8 -23.639 10.509 8.646 1.00 0.00 C ATOM 1247 O LEU B 8 -22.525 10.141 8.279 1.00 0.00 O ATOM 1248 CB LEU B 8 -24.135 12.887 9.278 1.00 0.00 C ATOM 1249 CG LEU B 8 -24.375 14.332 8.827 1.00 0.00 C ATOM 1250 CD1 LEU B 8 -24.248 15.286 10.003 1.00 0.00 C ATOM 1251 CD2 LEU B 8 -23.404 14.718 7.720 1.00 0.00 C ATOM 0 H LEU B 8 -26.274 12.188 8.386 1.00 0.00 H new ATOM 0 HA LEU B 8 -23.664 12.167 7.307 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -24.858 12.642 10.056 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -23.146 12.825 9.731 1.00 0.00 H new ATOM 0 HG LEU B 8 -25.389 14.403 8.433 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -24.422 16.307 9.664 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -24.984 15.026 10.763 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -23.247 15.210 10.427 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -23.591 15.747 7.414 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -22.381 14.629 8.086 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -23.543 14.055 6.866 1.00 0.00 H new ATOM 1263 N LYS B 9 -24.412 9.788 9.438 1.00 0.00 N ATOM 1264 CA LYS B 9 -23.987 8.508 9.982 1.00 0.00 C ATOM 1265 C LYS B 9 -23.953 7.452 8.886 1.00 0.00 C ATOM 1266 O LYS B 9 -23.073 6.597 8.869 1.00 0.00 O ATOM 1267 CB LYS B 9 -24.942 8.098 11.101 1.00 0.00 C ATOM 1268 CG LYS B 9 -24.355 7.134 12.112 1.00 0.00 C ATOM 1269 CD LYS B 9 -25.245 7.062 13.337 1.00 0.00 C ATOM 1270 CE LYS B 9 -24.646 6.196 14.427 1.00 0.00 C ATOM 1271 NZ LYS B 9 -25.446 6.277 15.675 1.00 0.00 N ATOM 0 H LYS B 9 -25.350 10.071 9.722 1.00 0.00 H new ATOM 0 HA LYS B 9 -22.980 8.600 10.388 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -25.273 8.995 11.624 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -25.827 7.643 10.656 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -24.254 6.144 11.667 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -23.354 7.458 12.398 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -25.411 8.068 13.724 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -26.220 6.665 13.054 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -24.599 5.161 14.088 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -23.622 6.513 14.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -25.014 5.675 16.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -25.470 7.262 16.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -26.416 5.951 15.487 1.00 0.00 H new ATOM 1285 N ALA B 10 -24.906 7.529 7.968 1.00 0.00 N ATOM 1286 CA ALA B 10 -24.958 6.612 6.838 1.00 0.00 C ATOM 1287 C ALA B 10 -23.760 6.821 5.915 1.00 0.00 C ATOM 1288 O ALA B 10 -23.180 5.860 5.406 1.00 0.00 O ATOM 1289 CB ALA B 10 -26.259 6.793 6.071 1.00 0.00 C ATOM 0 H ALA B 10 -25.656 8.220 7.984 1.00 0.00 H new ATOM 0 HA ALA B 10 -24.918 5.592 7.221 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -26.284 6.101 5.229 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -27.102 6.591 6.732 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -26.324 7.816 5.702 1.00 0.00 H new ATOM 1295 N LYS B 11 -23.404 8.082 5.695 1.00 0.00 N ATOM 1296 CA LYS B 11 -22.231 8.419 4.895 1.00 0.00 C ATOM 1297 C LYS B 11 -20.965 7.880 5.550 1.00 0.00 C ATOM 1298 O LYS B 11 -20.152 7.213 4.906 1.00 0.00 O ATOM 1299 CB LYS B 11 -22.119 9.933 4.725 1.00 0.00 C ATOM 1300 CG LYS B 11 -20.929 10.372 3.878 1.00 0.00 C ATOM 1301 CD LYS B 11 -21.111 10.033 2.407 1.00 0.00 C ATOM 1302 CE LYS B 11 -19.845 10.326 1.618 1.00 0.00 C ATOM 1303 NZ LYS B 11 -20.059 10.211 0.152 1.00 0.00 N ATOM 0 H LYS B 11 -23.911 8.889 6.060 1.00 0.00 H new ATOM 0 HA LYS B 11 -22.345 7.959 3.913 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -23.035 10.307 4.268 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -22.042 10.395 5.709 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -20.786 11.447 3.986 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -20.024 9.891 4.250 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -21.373 8.980 2.303 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -21.940 10.610 1.997 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -19.496 11.331 1.855 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -19.060 9.635 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -19.170 10.419 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -20.367 9.245 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -20.790 10.888 -0.146 1.00 0.00 H new ATOM 1317 N LEU B 12 -20.807 8.178 6.832 1.00 0.00 N ATOM 1318 CA LEU B 12 -19.666 7.691 7.601 1.00 0.00 C ATOM 1319 C LEU B 12 -19.645 6.167 7.606 1.00 0.00 C ATOM 1320 O LEU B 12 -18.588 5.551 7.479 1.00 0.00 O ATOM 1321 CB LEU B 12 -19.727 8.225 9.035 1.00 0.00 C ATOM 1322 CG LEU B 12 -18.544 7.838 9.928 1.00 0.00 C ATOM 1323 CD1 LEU B 12 -17.240 8.377 9.360 1.00 0.00 C ATOM 1324 CD2 LEU B 12 -18.757 8.343 11.347 1.00 0.00 C ATOM 0 H LEU B 12 -21.456 8.757 7.365 1.00 0.00 H new ATOM 0 HA LEU B 12 -18.750 8.051 7.133 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -19.793 9.312 8.998 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -20.645 7.866 9.500 1.00 0.00 H new ATOM 0 HG LEU B 12 -18.480 6.750 9.955 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -16.414 8.090 10.010 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -17.078 7.964 8.364 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -17.292 9.464 9.298 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -17.906 8.058 11.966 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -18.851 9.429 11.336 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -19.667 7.904 11.757 1.00 0.00 H new ATOM 1336 N LYS B 13 -20.826 5.572 7.742 1.00 0.00 N ATOM 1337 CA LYS B 13 -20.979 4.121 7.698 1.00 0.00 C ATOM 1338 C LYS B 13 -20.402 3.560 6.401 1.00 0.00 C ATOM 1339 O LYS B 13 -19.643 2.588 6.419 1.00 0.00 O ATOM 1340 CB LYS B 13 -22.461 3.755 7.800 1.00 0.00 C ATOM 1341 CG LYS B 13 -22.736 2.268 7.962 1.00 0.00 C ATOM 1342 CD LYS B 13 -24.230 1.992 7.990 1.00 0.00 C ATOM 1343 CE LYS B 13 -24.535 0.542 8.333 1.00 0.00 C ATOM 1344 NZ LYS B 13 -24.059 0.190 9.696 1.00 0.00 N ATOM 0 H LYS B 13 -21.700 6.078 7.885 1.00 0.00 H new ATOM 0 HA LYS B 13 -20.437 3.689 8.539 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -22.895 4.286 8.647 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -22.972 4.110 6.905 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -22.276 1.718 7.141 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -22.278 1.908 8.883 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -24.706 2.645 8.721 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -24.662 2.233 7.019 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -25.609 0.370 8.267 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -24.062 -0.113 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -24.535 -0.677 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -23.031 0.033 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -24.278 0.967 10.352 1.00 0.00 H new ATOM 1358 N LYS B 14 -20.774 4.188 5.289 1.00 0.00 N ATOM 1359 CA LYS B 14 -20.304 3.801 3.965 1.00 0.00 C ATOM 1360 C LYS B 14 -18.777 3.819 3.892 1.00 0.00 C ATOM 1361 O LYS B 14 -18.153 2.855 3.442 1.00 0.00 O ATOM 1362 CB LYS B 14 -20.885 4.760 2.919 1.00 0.00 C ATOM 1363 CG LYS B 14 -20.721 4.280 1.489 1.00 0.00 C ATOM 1364 CD LYS B 14 -21.532 3.020 1.235 1.00 0.00 C ATOM 1365 CE LYS B 14 -23.021 3.269 1.417 1.00 0.00 C ATOM 1366 NZ LYS B 14 -23.810 2.016 1.302 1.00 0.00 N ATOM 0 H LYS B 14 -21.413 4.983 5.282 1.00 0.00 H new ATOM 0 HA LYS B 14 -20.639 2.784 3.764 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.946 4.907 3.124 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -20.403 5.732 3.024 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -21.037 5.064 0.801 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -19.668 4.085 1.287 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -21.343 2.662 0.223 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -21.208 2.234 1.917 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -23.197 3.720 2.393 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -23.364 3.984 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -24.820 2.228 1.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -23.663 1.598 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -23.501 1.343 2.032 1.00 0.00 H new ATOM 1380 N LEU B 15 -18.183 4.921 4.339 1.00 0.00 N ATOM 1381 CA LEU B 15 -16.732 5.076 4.310 1.00 0.00 C ATOM 1382 C LEU B 15 -16.054 4.079 5.242 1.00 0.00 C ATOM 1383 O LEU B 15 -15.060 3.451 4.876 1.00 0.00 O ATOM 1384 CB LEU B 15 -16.325 6.506 4.688 1.00 0.00 C ATOM 1385 CG LEU B 15 -16.265 7.508 3.528 1.00 0.00 C ATOM 1386 CD1 LEU B 15 -15.267 7.048 2.477 1.00 0.00 C ATOM 1387 CD2 LEU B 15 -17.635 7.706 2.903 1.00 0.00 C ATOM 0 H LEU B 15 -18.684 5.721 4.726 1.00 0.00 H new ATOM 0 HA LEU B 15 -16.402 4.877 3.290 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -17.029 6.880 5.431 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.346 6.471 5.165 1.00 0.00 H new ATOM 0 HG LEU B 15 -15.934 8.466 3.930 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -15.238 7.771 1.662 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -14.277 6.967 2.926 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -15.570 6.076 2.089 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -17.561 8.421 2.084 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -18.002 6.753 2.521 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -18.327 8.086 3.655 1.00 0.00 H new ATOM 1399 N ASN B 16 -16.604 3.932 6.444 1.00 0.00 N ATOM 1400 CA ASN B 16 -16.054 3.016 7.439 1.00 0.00 C ATOM 1401 C ASN B 16 -16.092 1.580 6.914 1.00 0.00 C ATOM 1402 O ASN B 16 -15.117 0.838 7.037 1.00 0.00 O ATOM 1403 CB ASN B 16 -16.843 3.135 8.754 1.00 0.00 C ATOM 1404 CG ASN B 16 -16.169 2.444 9.933 1.00 0.00 C ATOM 1405 OD1 ASN B 16 -15.505 1.420 9.785 1.00 0.00 O ATOM 1406 ND2 ASN B 16 -16.335 3.008 11.121 1.00 0.00 N ATOM 0 H ASN B 16 -17.434 4.438 6.754 1.00 0.00 H new ATOM 0 HA ASN B 16 -15.015 3.282 7.632 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -16.980 4.190 8.992 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -17.836 2.708 8.612 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -15.905 2.592 11.947 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -16.892 3.858 11.209 1.00 0.00 H new ATOM 1413 N ALA B 17 -17.212 1.205 6.303 1.00 0.00 N ATOM 1414 CA ALA B 17 -17.370 -0.132 5.739 1.00 0.00 C ATOM 1415 C ALA B 17 -16.355 -0.373 4.629 1.00 0.00 C ATOM 1416 O ALA B 17 -15.674 -1.401 4.609 1.00 0.00 O ATOM 1417 CB ALA B 17 -18.787 -0.326 5.215 1.00 0.00 C ATOM 0 H ALA B 17 -18.025 1.809 6.186 1.00 0.00 H new ATOM 0 HA ALA B 17 -17.190 -0.859 6.531 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -18.887 -1.328 4.798 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -19.497 -0.200 6.032 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -18.992 0.412 4.439 1.00 0.00 H new ATOM 1423 N GLN B 18 -16.236 0.593 3.723 1.00 0.00 N ATOM 1424 CA GLN B 18 -15.302 0.485 2.607 1.00 0.00 C ATOM 1425 C GLN B 18 -13.866 0.382 3.120 1.00 0.00 C ATOM 1426 O GLN B 18 -13.083 -0.440 2.642 1.00 0.00 O ATOM 1427 CB GLN B 18 -15.444 1.691 1.674 1.00 0.00 C ATOM 1428 CG GLN B 18 -14.670 1.541 0.372 1.00 0.00 C ATOM 1429 CD GLN B 18 -14.748 2.770 -0.515 1.00 0.00 C ATOM 1430 OE1 GLN B 18 -13.829 3.046 -1.284 1.00 0.00 O ATOM 1431 NE2 GLN B 18 -15.843 3.512 -0.422 1.00 0.00 N ATOM 0 H GLN B 18 -16.774 1.459 3.740 1.00 0.00 H new ATOM 0 HA GLN B 18 -15.538 -0.420 2.047 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -16.499 1.842 1.446 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -15.099 2.585 2.193 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -13.625 1.331 0.600 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -15.056 0.681 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -16.583 3.249 0.229 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -15.945 4.345 -1.001 1.00 0.00 H new ATOM 1440 N ALA B 19 -13.538 1.203 4.111 1.00 0.00 N ATOM 1441 CA ALA B 19 -12.207 1.203 4.704 1.00 0.00 C ATOM 1442 C ALA B 19 -11.910 -0.127 5.395 1.00 0.00 C ATOM 1443 O ALA B 19 -10.777 -0.610 5.372 1.00 0.00 O ATOM 1444 CB ALA B 19 -12.073 2.356 5.685 1.00 0.00 C ATOM 0 H ALA B 19 -14.180 1.881 4.522 1.00 0.00 H new ATOM 0 HA ALA B 19 -11.477 1.332 3.905 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.075 2.347 6.123 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.232 3.299 5.162 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -12.816 2.250 6.475 1.00 0.00 H new ATOM 1450 N THR B 20 -12.933 -0.716 6.002 1.00 0.00 N ATOM 1451 CA THR B 20 -12.790 -2.008 6.656 1.00 0.00 C ATOM 1452 C THR B 20 -12.630 -3.118 5.615 1.00 0.00 C ATOM 1453 O THR B 20 -11.902 -4.093 5.827 1.00 0.00 O ATOM 1454 CB THR B 20 -13.998 -2.310 7.565 1.00 0.00 C ATOM 1455 OG1 THR B 20 -14.182 -1.232 8.492 1.00 0.00 O ATOM 1456 CG2 THR B 20 -13.799 -3.606 8.335 1.00 0.00 C ATOM 0 H THR B 20 -13.871 -0.318 6.054 1.00 0.00 H new ATOM 0 HA THR B 20 -11.895 -1.970 7.278 1.00 0.00 H new ATOM 0 HB THR B 20 -14.880 -2.417 6.933 1.00 0.00 H new ATOM 0 HG1 THR B 20 -14.775 -0.559 8.097 1.00 0.00 H new ATOM 0 HG21 THR B 20 -14.668 -3.791 8.967 1.00 0.00 H new ATOM 0 HG22 THR B 20 -13.678 -4.431 7.633 1.00 0.00 H new ATOM 0 HG23 THR B 20 -12.908 -3.526 8.958 1.00 0.00 H new ATOM 1464 N ALA B 21 -13.303 -2.960 4.482 1.00 0.00 N ATOM 1465 CA ALA B 21 -13.172 -3.903 3.382 1.00 0.00 C ATOM 1466 C ALA B 21 -11.774 -3.826 2.779 1.00 0.00 C ATOM 1467 O ALA B 21 -11.169 -4.846 2.459 1.00 0.00 O ATOM 1468 CB ALA B 21 -14.227 -3.637 2.319 1.00 0.00 C ATOM 0 H ALA B 21 -13.944 -2.188 4.302 1.00 0.00 H new ATOM 0 HA ALA B 21 -13.326 -4.909 3.772 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -14.112 -4.353 1.505 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -15.220 -3.742 2.757 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -14.107 -2.625 1.932 1.00 0.00 H new ATOM 1474 N LEU B 22 -11.259 -2.608 2.648 1.00 0.00 N ATOM 1475 CA LEU B 22 -9.919 -2.395 2.113 1.00 0.00 C ATOM 1476 C LEU B 22 -8.855 -2.864 3.101 1.00 0.00 C ATOM 1477 O LEU B 22 -7.756 -3.245 2.702 1.00 0.00 O ATOM 1478 CB LEU B 22 -9.714 -0.917 1.767 1.00 0.00 C ATOM 1479 CG LEU B 22 -10.609 -0.391 0.641 1.00 0.00 C ATOM 1480 CD1 LEU B 22 -10.403 1.099 0.445 1.00 0.00 C ATOM 1481 CD2 LEU B 22 -10.332 -1.139 -0.654 1.00 0.00 C ATOM 0 H LEU B 22 -11.750 -1.752 2.905 1.00 0.00 H new ATOM 0 HA LEU B 22 -9.818 -2.986 1.203 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.892 -0.321 2.662 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.672 -0.765 1.485 1.00 0.00 H new ATOM 0 HG LEU B 22 -11.648 -0.560 0.924 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.048 1.453 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -10.651 1.625 1.367 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -9.362 1.291 0.186 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -10.977 -0.752 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -9.289 -1.001 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -10.532 -2.201 -0.511 1.00 0.00 H new ATOM 1493 N LYS B 23 -9.192 -2.848 4.389 1.00 0.00 N ATOM 1494 CA LYS B 23 -8.286 -3.335 5.426 1.00 0.00 C ATOM 1495 C LYS B 23 -7.907 -4.788 5.139 1.00 0.00 C ATOM 1496 O LYS B 23 -6.726 -5.140 5.116 1.00 0.00 O ATOM 1497 CB LYS B 23 -8.946 -3.206 6.815 1.00 0.00 C ATOM 1498 CG LYS B 23 -7.992 -3.347 8.002 1.00 0.00 C ATOM 1499 CD LYS B 23 -7.617 -4.795 8.277 1.00 0.00 C ATOM 1500 CE LYS B 23 -6.537 -4.907 9.345 1.00 0.00 C ATOM 1501 NZ LYS B 23 -6.980 -4.390 10.667 1.00 0.00 N ATOM 0 H LYS B 23 -10.086 -2.503 4.739 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.379 -2.730 5.423 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -9.438 -2.235 6.878 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.724 -3.964 6.902 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -7.087 -2.771 7.808 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.457 -2.920 8.891 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -8.502 -5.345 8.596 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -7.267 -5.261 7.356 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -6.241 -5.951 9.449 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -5.654 -4.356 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -6.219 -4.521 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -7.205 -3.378 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -7.826 -4.909 10.977 1.00 0.00 H new ATOM 1515 N MET B 24 -8.912 -5.624 4.908 1.00 0.00 N ATOM 1516 CA MET B 24 -8.674 -7.034 4.609 1.00 0.00 C ATOM 1517 C MET B 24 -8.175 -7.213 3.174 1.00 0.00 C ATOM 1518 O MET B 24 -7.449 -8.161 2.871 1.00 0.00 O ATOM 1519 CB MET B 24 -9.944 -7.858 4.843 1.00 0.00 C ATOM 1520 CG MET B 24 -11.113 -7.474 3.950 1.00 0.00 C ATOM 1521 SD MET B 24 -12.589 -8.463 4.270 1.00 0.00 S ATOM 1522 CE MET B 24 -11.985 -10.108 3.881 1.00 0.00 C ATOM 0 H MET B 24 -9.895 -5.354 4.921 1.00 0.00 H new ATOM 0 HA MET B 24 -7.899 -7.395 5.285 1.00 0.00 H new ATOM 0 HB2 MET B 24 -9.713 -8.912 4.686 1.00 0.00 H new ATOM 0 HB3 MET B 24 -10.247 -7.749 5.884 1.00 0.00 H new ATOM 0 HG2 MET B 24 -11.348 -6.420 4.099 1.00 0.00 H new ATOM 0 HG3 MET B 24 -10.821 -7.591 2.906 1.00 0.00 H new ATOM 0 HE1 MET B 24 -12.829 -10.764 3.665 1.00 0.00 H new ATOM 0 HE2 MET B 24 -11.331 -10.059 3.010 1.00 0.00 H new ATOM 0 HE3 MET B 24 -11.428 -10.502 4.731 1.00 0.00 H new ATOM 1532 N ASP B 25 -8.560 -6.284 2.303 1.00 0.00 N ATOM 1533 CA ASP B 25 -8.154 -6.307 0.896 1.00 0.00 C ATOM 1534 C ASP B 25 -6.644 -6.116 0.777 1.00 0.00 C ATOM 1535 O ASP B 25 -5.958 -6.883 0.095 1.00 0.00 O ATOM 1536 CB ASP B 25 -8.904 -5.212 0.119 1.00 0.00 C ATOM 1537 CG ASP B 25 -8.630 -5.229 -1.375 1.00 0.00 C ATOM 1538 OD1 ASP B 25 -8.586 -6.324 -1.967 1.00 0.00 O ATOM 1539 OD2 ASP B 25 -8.506 -4.137 -1.974 1.00 0.00 O ATOM 0 H ASP B 25 -9.160 -5.496 2.549 1.00 0.00 H new ATOM 0 HA ASP B 25 -8.409 -7.276 0.467 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -9.975 -5.330 0.285 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -8.625 -4.238 0.520 1.00 0.00 H new ATOM 1544 N LEU B 26 -6.128 -5.108 1.475 1.00 0.00 N ATOM 1545 CA LEU B 26 -4.690 -4.853 1.516 1.00 0.00 C ATOM 1546 C LEU B 26 -3.970 -5.948 2.292 1.00 0.00 C ATOM 1547 O LEU B 26 -2.874 -6.369 1.922 1.00 0.00 O ATOM 1548 CB LEU B 26 -4.411 -3.491 2.159 1.00 0.00 C ATOM 1549 CG LEU B 26 -2.931 -3.108 2.272 1.00 0.00 C ATOM 1550 CD1 LEU B 26 -2.310 -2.941 0.893 1.00 0.00 C ATOM 1551 CD2 LEU B 26 -2.764 -1.836 3.093 1.00 0.00 C ATOM 0 H LEU B 26 -6.686 -4.452 2.022 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.316 -4.848 0.492 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -4.924 -2.723 1.580 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -4.848 -3.483 3.158 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.410 -3.917 2.785 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.260 -2.669 0.997 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.389 -3.878 0.342 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.836 -2.156 0.350 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.706 -1.583 3.160 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -3.303 -1.019 2.612 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.164 -1.994 4.095 1.00 0.00 H new ATOM 1563 N HIS B 27 -4.598 -6.413 3.368 1.00 0.00 N ATOM 1564 CA HIS B 27 -4.013 -7.452 4.208 1.00 0.00 C ATOM 1565 C HIS B 27 -3.758 -8.715 3.396 1.00 0.00 C ATOM 1566 O HIS B 27 -2.677 -9.296 3.470 1.00 0.00 O ATOM 1567 CB HIS B 27 -4.929 -7.770 5.391 1.00 0.00 C ATOM 1568 CG HIS B 27 -4.289 -8.639 6.433 1.00 0.00 C ATOM 1569 ND1 HIS B 27 -4.804 -9.853 6.832 1.00 0.00 N ATOM 1570 CD2 HIS B 27 -3.181 -8.443 7.182 1.00 0.00 C ATOM 1571 CE1 HIS B 27 -4.044 -10.357 7.784 1.00 0.00 C ATOM 1572 NE2 HIS B 27 -3.050 -9.522 8.021 1.00 0.00 N ATOM 0 H HIS B 27 -5.513 -6.086 3.679 1.00 0.00 H new ATOM 0 HA HIS B 27 -3.062 -7.081 4.591 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.246 -6.836 5.855 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -5.828 -8.264 5.021 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -2.519 -7.592 7.130 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -4.208 -11.298 8.287 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -2.310 -9.655 8.710 1.00 0.00 H new ATOM 1581 N ASP B 28 -4.752 -9.118 2.613 1.00 0.00 N ATOM 1582 CA ASP B 28 -4.628 -10.297 1.764 1.00 0.00 C ATOM 1583 C ASP B 28 -3.515 -10.113 0.744 1.00 0.00 C ATOM 1584 O ASP B 28 -2.769 -11.043 0.458 1.00 0.00 O ATOM 1585 CB ASP B 28 -5.945 -10.587 1.042 1.00 0.00 C ATOM 1586 CG ASP B 28 -5.818 -11.721 0.045 1.00 0.00 C ATOM 1587 OD1 ASP B 28 -5.792 -12.893 0.474 1.00 0.00 O ATOM 1588 OD2 ASP B 28 -5.747 -11.445 -1.170 1.00 0.00 O ATOM 0 H ASP B 28 -5.654 -8.645 2.548 1.00 0.00 H new ATOM 0 HA ASP B 28 -4.383 -11.144 2.405 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -6.712 -10.836 1.776 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -6.279 -9.687 0.525 1.00 0.00 H new ATOM 1593 N LEU B 29 -3.396 -8.900 0.218 1.00 0.00 N ATOM 1594 CA LEU B 29 -2.377 -8.593 -0.777 1.00 0.00 C ATOM 1595 C LEU B 29 -0.977 -8.694 -0.177 1.00 0.00 C ATOM 1596 O LEU B 29 -0.041 -9.146 -0.837 1.00 0.00 O ATOM 1597 CB LEU B 29 -2.599 -7.196 -1.356 1.00 0.00 C ATOM 1598 CG LEU B 29 -1.593 -6.769 -2.424 1.00 0.00 C ATOM 1599 CD1 LEU B 29 -1.640 -7.717 -3.612 1.00 0.00 C ATOM 1600 CD2 LEU B 29 -1.871 -5.344 -2.862 1.00 0.00 C ATOM 0 H LEU B 29 -3.994 -8.112 0.465 1.00 0.00 H new ATOM 0 HA LEU B 29 -2.460 -9.326 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.600 -7.152 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -2.569 -6.473 -0.541 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.591 -6.811 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.917 -7.397 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.397 -8.727 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.640 -7.708 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.148 -5.050 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.878 -5.280 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.786 -4.677 -2.004 1.00 0.00 H new ATOM 1612 N ALA B 30 -0.836 -8.279 1.078 1.00 0.00 N ATOM 1613 CA ALA B 30 0.441 -8.384 1.776 1.00 0.00 C ATOM 1614 C ALA B 30 0.832 -9.848 1.964 1.00 0.00 C ATOM 1615 O ALA B 30 2.011 -10.190 2.021 1.00 0.00 O ATOM 1616 CB ALA B 30 0.373 -7.677 3.121 1.00 0.00 C ATOM 0 H ALA B 30 -1.588 -7.868 1.631 1.00 0.00 H new ATOM 0 HA ALA B 30 1.204 -7.899 1.168 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.334 -7.766 3.628 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.140 -6.623 2.967 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -0.404 -8.135 3.734 1.00 0.00 H new ATOM 1622 N GLU B 31 -0.171 -10.707 2.064 1.00 0.00 N ATOM 1623 CA GLU B 31 0.045 -12.135 2.198 1.00 0.00 C ATOM 1624 C GLU B 31 0.222 -12.774 0.823 1.00 0.00 C ATOM 1625 O GLU B 31 0.824 -13.840 0.687 1.00 0.00 O ATOM 1626 CB GLU B 31 -1.143 -12.757 2.921 1.00 0.00 C ATOM 1627 CG GLU B 31 -1.421 -12.128 4.275 1.00 0.00 C ATOM 1628 CD GLU B 31 -2.610 -12.750 4.968 1.00 0.00 C ATOM 1629 OE1 GLU B 31 -3.755 -12.519 4.524 1.00 0.00 O ATOM 1630 OE2 GLU B 31 -2.405 -13.468 5.970 1.00 0.00 O ATOM 0 H GLU B 31 -1.153 -10.433 2.054 1.00 0.00 H new ATOM 0 HA GLU B 31 0.952 -12.311 2.777 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.030 -12.662 2.295 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -0.960 -13.823 3.054 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -0.540 -12.232 4.908 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -1.597 -11.060 4.147 1.00 0.00 H new ATOM 1637 N ASP B 32 -0.291 -12.090 -0.189 1.00 0.00 N ATOM 1638 CA ASP B 32 -0.296 -12.595 -1.556 1.00 0.00 C ATOM 1639 C ASP B 32 0.996 -12.211 -2.273 1.00 0.00 C ATOM 1640 O ASP B 32 1.143 -12.462 -3.462 1.00 0.00 O ATOM 1641 CB ASP B 32 -1.508 -12.027 -2.311 1.00 0.00 C ATOM 1642 CG ASP B 32 -1.886 -12.838 -3.536 1.00 0.00 C ATOM 1643 OD1 ASP B 32 -2.496 -13.917 -3.368 1.00 0.00 O ATOM 1644 OD2 ASP B 32 -1.599 -12.401 -4.668 1.00 0.00 O ATOM 0 H ASP B 32 -0.716 -11.168 -0.087 1.00 0.00 H new ATOM 0 HA ASP B 32 -0.365 -13.683 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -2.362 -11.985 -1.634 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -1.291 -11.003 -2.615 1.00 0.00 H new ATOM 1649 N LEU B 33 1.926 -11.624 -1.509 1.00 0.00 N ATOM 1650 CA LEU B 33 3.234 -11.156 -1.996 1.00 0.00 C ATOM 1651 C LEU B 33 3.918 -12.121 -2.982 1.00 0.00 C ATOM 1652 O LEU B 33 3.530 -13.283 -3.104 1.00 0.00 O ATOM 1653 CB LEU B 33 4.134 -10.808 -0.810 1.00 0.00 C ATOM 1654 CG LEU B 33 3.988 -9.361 -0.325 1.00 0.00 C ATOM 1655 CD1 LEU B 33 4.938 -9.075 0.826 1.00 0.00 C ATOM 1656 CD2 LEU B 33 4.234 -8.395 -1.479 1.00 0.00 C ATOM 0 H LEU B 33 1.789 -11.457 -0.512 1.00 0.00 H new ATOM 0 HA LEU B 33 3.053 -10.255 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU B 33 3.908 -11.483 0.016 1.00 0.00 H new ATOM 0 HB3 LEU B 33 5.173 -10.984 -1.090 1.00 0.00 H new ATOM 0 HG LEU B 33 2.970 -9.220 0.039 1.00 0.00 H new ATOM 0 HD11 LEU B 33 4.815 -8.042 1.152 1.00 0.00 H new ATOM 0 HD12 LEU B 33 4.716 -9.746 1.656 1.00 0.00 H new ATOM 0 HD13 LEU B 33 5.965 -9.232 0.497 1.00 0.00 H new ATOM 0 HD21 LEU B 33 4.128 -7.370 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU B 33 5.242 -8.542 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU B 33 3.509 -8.582 -2.271 1.00 0.00 H new ATOM 1668 N PRO B 34 5.041 -11.693 -3.620 1.00 0.00 N ATOM 1669 CA PRO B 34 5.426 -12.015 -4.983 1.00 0.00 C ATOM 1670 C PRO B 34 4.328 -12.509 -5.946 1.00 0.00 C ATOM 1671 O PRO B 34 4.615 -13.140 -6.965 1.00 0.00 O ATOM 1672 CB PRO B 34 6.548 -12.983 -4.673 1.00 0.00 C ATOM 1673 CG PRO B 34 7.240 -12.283 -3.511 1.00 0.00 C ATOM 1674 CD PRO B 34 6.257 -11.216 -3.001 1.00 0.00 C ATOM 0 HA PRO B 34 5.702 -11.152 -5.589 1.00 0.00 H new ATOM 0 HB2 PRO B 34 6.174 -13.968 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO B 34 7.215 -13.124 -5.523 1.00 0.00 H new ATOM 0 HG2 PRO B 34 7.487 -12.993 -2.721 1.00 0.00 H new ATOM 0 HG3 PRO B 34 8.176 -11.827 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO B 34 6.192 -11.193 -1.913 1.00 0.00 H new ATOM 0 HD3 PRO B 34 6.525 -10.211 -3.326 1.00 0.00 H new ATOM 1682 N THR B 35 3.079 -12.223 -5.615 1.00 0.00 N ATOM 1683 CA THR B 35 1.982 -12.286 -6.561 1.00 0.00 C ATOM 1684 C THR B 35 1.086 -11.074 -6.325 1.00 0.00 C ATOM 1685 O THR B 35 1.074 -10.517 -5.230 1.00 0.00 O ATOM 1686 CB THR B 35 1.158 -13.572 -6.408 1.00 0.00 C ATOM 1687 OG1 THR B 35 2.038 -14.704 -6.329 1.00 0.00 O ATOM 1688 CG2 THR B 35 0.199 -13.759 -7.574 1.00 0.00 C ATOM 0 H THR B 35 2.799 -11.939 -4.676 1.00 0.00 H new ATOM 0 HA THR B 35 2.391 -12.286 -7.571 1.00 0.00 H new ATOM 0 HB THR B 35 0.572 -13.489 -5.493 1.00 0.00 H new ATOM 0 HG1 THR B 35 1.509 -15.523 -6.230 1.00 0.00 H new ATOM 0 HG21 THR B 35 -0.369 -14.679 -7.434 1.00 0.00 H new ATOM 0 HG22 THR B 35 -0.487 -12.913 -7.621 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.764 -13.819 -8.504 1.00 0.00 H new ATOM 1696 N GLY B 36 0.387 -10.645 -7.360 1.00 0.00 N ATOM 1697 CA GLY B 36 -0.486 -9.483 -7.258 1.00 0.00 C ATOM 1698 C GLY B 36 0.222 -8.215 -6.790 1.00 0.00 C ATOM 1699 O GLY B 36 -0.430 -7.209 -6.527 1.00 0.00 O ATOM 0 H GLY B 36 0.405 -11.081 -8.282 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -0.940 -9.296 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -1.297 -9.710 -6.567 1.00 0.00 H new ATOM 1703 N TRP B 37 1.552 -8.260 -6.699 1.00 0.00 N ATOM 1704 CA TRP B 37 2.349 -7.125 -6.224 1.00 0.00 C ATOM 1705 C TRP B 37 2.177 -5.891 -7.105 1.00 0.00 C ATOM 1706 O TRP B 37 2.456 -4.773 -6.678 1.00 0.00 O ATOM 1707 CB TRP B 37 3.832 -7.516 -6.134 1.00 0.00 C ATOM 1708 CG TRP B 37 4.402 -8.028 -7.423 1.00 0.00 C ATOM 1709 CD1 TRP B 37 4.186 -9.254 -7.982 1.00 0.00 C ATOM 1710 CD2 TRP B 37 5.295 -7.338 -8.305 1.00 0.00 C ATOM 1711 NE1 TRP B 37 4.873 -9.363 -9.164 1.00 0.00 N ATOM 1712 CE2 TRP B 37 5.567 -8.201 -9.382 1.00 0.00 C ATOM 1713 CE3 TRP B 37 5.891 -6.073 -8.289 1.00 0.00 C ATOM 1714 CZ2 TRP B 37 6.404 -7.839 -10.435 1.00 0.00 C ATOM 1715 CZ3 TRP B 37 6.721 -5.715 -9.333 1.00 0.00 C ATOM 1716 CH2 TRP B 37 6.971 -6.596 -10.392 1.00 0.00 C ATOM 0 H TRP B 37 2.106 -9.079 -6.951 1.00 0.00 H new ATOM 0 HA TRP B 37 1.985 -6.865 -5.230 1.00 0.00 H new ATOM 0 HB2 TRP B 37 4.408 -6.648 -5.812 1.00 0.00 H new ATOM 0 HB3 TRP B 37 3.951 -8.280 -5.366 1.00 0.00 H new ATOM 0 HD1 TRP B 37 3.564 -10.027 -7.555 1.00 0.00 H new ATOM 0 HE1 TRP B 37 4.868 -10.176 -9.780 1.00 0.00 H new ATOM 0 HE3 TRP B 37 5.705 -5.388 -7.475 1.00 0.00 H new ATOM 0 HZ2 TRP B 37 6.598 -8.515 -11.255 1.00 0.00 H new ATOM 0 HZ3 TRP B 37 7.185 -4.740 -9.333 1.00 0.00 H new ATOM 0 HH2 TRP B 37 7.626 -6.287 -11.193 1.00 0.00 H new ATOM 1727 N ASN B 38 1.701 -6.085 -8.326 1.00 0.00 N ATOM 1728 CA ASN B 38 1.447 -4.963 -9.218 1.00 0.00 C ATOM 1729 C ASN B 38 0.212 -4.195 -8.755 1.00 0.00 C ATOM 1730 O ASN B 38 0.061 -3.009 -9.039 1.00 0.00 O ATOM 1731 CB ASN B 38 1.259 -5.451 -10.657 1.00 0.00 C ATOM 1732 CG ASN B 38 1.370 -4.325 -11.672 1.00 0.00 C ATOM 1733 OD1 ASN B 38 2.123 -3.365 -11.477 1.00 0.00 O ATOM 1734 ND2 ASN B 38 0.624 -4.434 -12.764 1.00 0.00 N ATOM 0 H ASN B 38 1.484 -7.001 -8.720 1.00 0.00 H new ATOM 0 HA ASN B 38 2.309 -4.296 -9.191 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.007 -6.212 -10.880 1.00 0.00 H new ATOM 0 HB3 ASN B 38 0.283 -5.926 -10.752 1.00 0.00 H new ATOM 0 HD21 ASN B 38 0.660 -3.709 -13.480 1.00 0.00 H new ATOM 0 HD22 ASN B 38 0.015 -5.243 -12.887 1.00 0.00 H new ATOM 1741 N ARG B 39 -0.652 -4.874 -8.000 1.00 0.00 N ATOM 1742 CA ARG B 39 -1.884 -4.278 -7.505 1.00 0.00 C ATOM 1743 C ARG B 39 -1.611 -3.405 -6.280 1.00 0.00 C ATOM 1744 O ARG B 39 -2.478 -2.640 -5.853 1.00 0.00 O ATOM 1745 CB ARG B 39 -2.882 -5.372 -7.117 1.00 0.00 C ATOM 1746 CG ARG B 39 -3.192 -6.373 -8.219 1.00 0.00 C ATOM 1747 CD ARG B 39 -4.154 -7.445 -7.722 1.00 0.00 C ATOM 1748 NE ARG B 39 -4.301 -8.546 -8.672 1.00 0.00 N ATOM 1749 CZ ARG B 39 -4.363 -9.832 -8.316 1.00 0.00 C ATOM 1750 NH1 ARG B 39 -4.345 -10.171 -7.030 1.00 0.00 N ATOM 1751 NH2 ARG B 39 -4.464 -10.776 -9.244 1.00 0.00 N ATOM 0 H ARG B 39 -0.516 -5.845 -7.718 1.00 0.00 H new ATOM 0 HA ARG B 39 -2.300 -3.661 -8.302 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -2.491 -5.912 -6.255 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -3.813 -4.900 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -3.627 -5.856 -9.074 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -2.269 -6.838 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -3.797 -7.836 -6.769 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.130 -6.996 -7.537 1.00 0.00 H new ATOM 0 HE ARG B 39 -4.360 -8.319 -9.665 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -4.284 -9.448 -6.313 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -4.392 -11.154 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -4.494 -10.520 -10.231 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -4.511 -11.757 -8.970 1.00 0.00 H new ATOM 1765 N ILE B 40 -0.404 -3.525 -5.727 1.00 0.00 N ATOM 1766 CA ILE B 40 -0.038 -2.838 -4.484 1.00 0.00 C ATOM 1767 C ILE B 40 -0.326 -1.342 -4.560 1.00 0.00 C ATOM 1768 O ILE B 40 -0.921 -0.777 -3.645 1.00 0.00 O ATOM 1769 CB ILE B 40 1.449 -3.073 -4.113 1.00 0.00 C ATOM 1770 CG1 ILE B 40 1.657 -4.528 -3.676 1.00 0.00 C ATOM 1771 CG2 ILE B 40 1.895 -2.121 -3.008 1.00 0.00 C ATOM 1772 CD1 ILE B 40 3.084 -4.860 -3.300 1.00 0.00 C ATOM 0 H ILE B 40 0.343 -4.096 -6.122 1.00 0.00 H new ATOM 0 HA ILE B 40 -0.659 -3.269 -3.699 1.00 0.00 H new ATOM 0 HB ILE B 40 2.057 -2.875 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.010 -4.737 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE B 40 1.342 -5.188 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.942 -2.308 -2.767 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.778 -1.091 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE B 40 1.284 -2.283 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE B 40 3.148 -5.907 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE B 40 3.736 -4.685 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE B 40 3.398 -4.227 -2.470 1.00 0.00 H new ATOM 1784 N MET B 41 0.061 -0.714 -5.663 1.00 0.00 N ATOM 1785 CA MET B 41 -0.146 0.723 -5.835 1.00 0.00 C ATOM 1786 C MET B 41 -1.628 1.073 -5.767 1.00 0.00 C ATOM 1787 O MET B 41 -2.016 2.012 -5.074 1.00 0.00 O ATOM 1788 CB MET B 41 0.447 1.199 -7.163 1.00 0.00 C ATOM 1789 CG MET B 41 1.964 1.064 -7.273 1.00 0.00 C ATOM 1790 SD MET B 41 2.880 2.242 -6.252 1.00 0.00 S ATOM 1791 CE MET B 41 2.914 1.415 -4.659 1.00 0.00 C ATOM 0 H MET B 41 0.519 -1.173 -6.451 1.00 0.00 H new ATOM 0 HA MET B 41 0.366 1.234 -5.020 1.00 0.00 H new ATOM 0 HB2 MET B 41 -0.013 0.634 -7.973 1.00 0.00 H new ATOM 0 HB3 MET B 41 0.178 2.245 -7.311 1.00 0.00 H new ATOM 0 HG2 MET B 41 2.250 0.052 -6.988 1.00 0.00 H new ATOM 0 HG3 MET B 41 2.256 1.197 -8.315 1.00 0.00 H new ATOM 0 HE1 MET B 41 2.454 2.055 -3.907 1.00 0.00 H new ATOM 0 HE2 MET B 41 2.362 0.477 -4.724 1.00 0.00 H new ATOM 0 HE3 MET B 41 3.947 1.210 -4.378 1.00 0.00 H new ATOM 1801 N GLU B 42 -2.448 0.296 -6.464 1.00 0.00 N ATOM 1802 CA GLU B 42 -3.888 0.525 -6.496 1.00 0.00 C ATOM 1803 C GLU B 42 -4.491 0.343 -5.112 1.00 0.00 C ATOM 1804 O GLU B 42 -5.161 1.232 -4.586 1.00 0.00 O ATOM 1805 CB GLU B 42 -4.555 -0.452 -7.462 1.00 0.00 C ATOM 1806 CG GLU B 42 -6.051 -0.233 -7.611 1.00 0.00 C ATOM 1807 CD GLU B 42 -6.717 -1.305 -8.444 1.00 0.00 C ATOM 1808 OE1 GLU B 42 -6.738 -1.175 -9.686 1.00 0.00 O ATOM 1809 OE2 GLU B 42 -7.227 -2.285 -7.863 1.00 0.00 O ATOM 0 H GLU B 42 -2.138 -0.503 -7.018 1.00 0.00 H new ATOM 0 HA GLU B 42 -4.060 1.548 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -4.084 -0.361 -8.441 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -4.378 -1.470 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.511 -0.208 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.228 0.740 -8.069 1.00 0.00 H new ATOM 1816 N VAL B 43 -4.250 -0.825 -4.535 1.00 0.00 N ATOM 1817 CA VAL B 43 -4.812 -1.173 -3.236 1.00 0.00 C ATOM 1818 C VAL B 43 -4.351 -0.199 -2.154 1.00 0.00 C ATOM 1819 O VAL B 43 -5.161 0.269 -1.354 1.00 0.00 O ATOM 1820 CB VAL B 43 -4.443 -2.616 -2.829 1.00 0.00 C ATOM 1821 CG1 VAL B 43 -5.132 -2.999 -1.532 1.00 0.00 C ATOM 1822 CG2 VAL B 43 -4.812 -3.595 -3.930 1.00 0.00 C ATOM 0 H VAL B 43 -3.666 -1.552 -4.948 1.00 0.00 H new ATOM 0 HA VAL B 43 -5.896 -1.105 -3.331 1.00 0.00 H new ATOM 0 HB VAL B 43 -3.365 -2.659 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -4.859 -4.019 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -4.820 -2.319 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -6.212 -2.935 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -4.544 -4.606 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -5.885 -3.545 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -4.273 -3.337 -4.842 1.00 0.00 H new ATOM 1832 N ALA B 44 -3.062 0.124 -2.148 1.00 0.00 N ATOM 1833 CA ALA B 44 -2.511 1.041 -1.158 1.00 0.00 C ATOM 1834 C ALA B 44 -3.141 2.421 -1.286 1.00 0.00 C ATOM 1835 O ALA B 44 -3.478 3.048 -0.281 1.00 0.00 O ATOM 1836 CB ALA B 44 -0.998 1.139 -1.286 1.00 0.00 C ATOM 0 H ALA B 44 -2.381 -0.235 -2.817 1.00 0.00 H new ATOM 0 HA ALA B 44 -2.747 0.643 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA B 44 -0.613 1.830 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA B 44 -0.555 0.155 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA B 44 -0.740 1.503 -2.280 1.00 0.00 H new ATOM 1842 N GLU B 45 -3.303 2.888 -2.524 1.00 0.00 N ATOM 1843 CA GLU B 45 -3.924 4.182 -2.765 1.00 0.00 C ATOM 1844 C GLU B 45 -5.350 4.186 -2.236 1.00 0.00 C ATOM 1845 O GLU B 45 -5.741 5.093 -1.505 1.00 0.00 O ATOM 1846 CB GLU B 45 -3.917 4.532 -4.255 1.00 0.00 C ATOM 1847 CG GLU B 45 -4.275 5.982 -4.528 1.00 0.00 C ATOM 1848 CD GLU B 45 -4.354 6.298 -6.005 1.00 0.00 C ATOM 1849 OE1 GLU B 45 -3.292 6.491 -6.633 1.00 0.00 O ATOM 1850 OE2 GLU B 45 -5.478 6.377 -6.542 1.00 0.00 O ATOM 0 H GLU B 45 -3.014 2.391 -3.367 1.00 0.00 H new ATOM 0 HA GLU B 45 -3.343 4.937 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -2.929 4.324 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -4.622 3.885 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -5.233 6.209 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -3.532 6.629 -4.062 1.00 0.00 H new ATOM 1857 N LYS B 46 -6.111 3.151 -2.588 1.00 0.00 N ATOM 1858 CA LYS B 46 -7.482 3.007 -2.110 1.00 0.00 C ATOM 1859 C LYS B 46 -7.537 3.004 -0.589 1.00 0.00 C ATOM 1860 O LYS B 46 -8.339 3.715 0.010 1.00 0.00 O ATOM 1861 CB LYS B 46 -8.099 1.717 -2.638 1.00 0.00 C ATOM 1862 CG LYS B 46 -8.333 1.730 -4.134 1.00 0.00 C ATOM 1863 CD LYS B 46 -9.053 0.478 -4.588 1.00 0.00 C ATOM 1864 CE LYS B 46 -8.202 -0.772 -4.396 1.00 0.00 C ATOM 1865 NZ LYS B 46 -8.936 -2.013 -4.764 1.00 0.00 N ATOM 0 H LYS B 46 -5.799 2.400 -3.203 1.00 0.00 H new ATOM 0 HA LYS B 46 -8.050 3.860 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.446 0.881 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -9.048 1.543 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -8.919 2.608 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -7.378 1.812 -4.653 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -9.983 0.372 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -9.322 0.576 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -7.300 -0.692 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -7.882 -0.836 -3.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -8.319 -2.837 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -9.784 -2.105 -4.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -9.219 -1.965 -5.764 1.00 0.00 H new ATOM 1879 N THR B 47 -6.680 2.195 0.022 1.00 0.00 N ATOM 1880 CA THR B 47 -6.642 2.058 1.468 1.00 0.00 C ATOM 1881 C THR B 47 -6.364 3.401 2.148 1.00 0.00 C ATOM 1882 O THR B 47 -7.065 3.792 3.087 1.00 0.00 O ATOM 1883 CB THR B 47 -5.575 1.023 1.884 1.00 0.00 C ATOM 1884 OG1 THR B 47 -5.796 -0.212 1.189 1.00 0.00 O ATOM 1885 CG2 THR B 47 -5.617 0.765 3.376 1.00 0.00 C ATOM 0 H THR B 47 -5.996 1.620 -0.470 1.00 0.00 H new ATOM 0 HA THR B 47 -7.622 1.709 1.794 1.00 0.00 H new ATOM 0 HB THR B 47 -4.596 1.427 1.625 1.00 0.00 H new ATOM 0 HG1 THR B 47 -5.363 -0.175 0.311 1.00 0.00 H new ATOM 0 HG21 THR B 47 -4.855 0.032 3.640 1.00 0.00 H new ATOM 0 HG22 THR B 47 -5.427 1.695 3.912 1.00 0.00 H new ATOM 0 HG23 THR B 47 -6.600 0.382 3.651 1.00 0.00 H new ATOM 1893 N TYR B 48 -5.361 4.117 1.654 1.00 0.00 N ATOM 1894 CA TYR B 48 -5.003 5.408 2.221 1.00 0.00 C ATOM 1895 C TYR B 48 -6.134 6.407 2.015 1.00 0.00 C ATOM 1896 O TYR B 48 -6.563 7.073 2.958 1.00 0.00 O ATOM 1897 CB TYR B 48 -3.712 5.934 1.587 1.00 0.00 C ATOM 1898 CG TYR B 48 -3.196 7.204 2.231 1.00 0.00 C ATOM 1899 CD1 TYR B 48 -3.638 8.454 1.807 1.00 0.00 C ATOM 1900 CD2 TYR B 48 -2.273 7.152 3.268 1.00 0.00 C ATOM 1901 CE1 TYR B 48 -3.175 9.613 2.400 1.00 0.00 C ATOM 1902 CE2 TYR B 48 -1.806 8.306 3.865 1.00 0.00 C ATOM 1903 CZ TYR B 48 -2.259 9.533 3.428 1.00 0.00 C ATOM 1904 OH TYR B 48 -1.797 10.686 4.025 1.00 0.00 O ATOM 0 H TYR B 48 -4.784 3.826 0.865 1.00 0.00 H new ATOM 0 HA TYR B 48 -4.837 5.280 3.291 1.00 0.00 H new ATOM 0 HB2 TYR B 48 -2.944 5.164 1.654 1.00 0.00 H new ATOM 0 HB3 TYR B 48 -3.886 6.119 0.527 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -4.354 8.519 1.001 1.00 0.00 H new ATOM 0 HD2 TYR B 48 -1.915 6.193 3.613 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -3.528 10.576 2.061 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -1.089 8.248 4.671 1.00 0.00 H new ATOM 0 HH TYR B 48 -2.491 11.377 3.983 1.00 0.00 H new ATOM 1914 N GLU B 49 -6.620 6.487 0.783 1.00 0.00 N ATOM 1915 CA GLU B 49 -7.684 7.408 0.420 1.00 0.00 C ATOM 1916 C GLU B 49 -8.947 7.161 1.240 1.00 0.00 C ATOM 1917 O GLU B 49 -9.653 8.099 1.613 1.00 0.00 O ATOM 1918 CB GLU B 49 -7.986 7.279 -1.073 1.00 0.00 C ATOM 1919 CG GLU B 49 -6.982 7.992 -1.967 1.00 0.00 C ATOM 1920 CD GLU B 49 -7.039 9.497 -1.809 1.00 0.00 C ATOM 1921 OE1 GLU B 49 -8.082 10.089 -2.155 1.00 0.00 O ATOM 1922 OE2 GLU B 49 -6.041 10.098 -1.350 1.00 0.00 O ATOM 0 H GLU B 49 -6.286 5.914 0.008 1.00 0.00 H new ATOM 0 HA GLU B 49 -7.347 8.421 0.638 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -8.009 6.222 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -8.981 7.679 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -5.977 7.642 -1.732 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -7.175 7.731 -3.007 1.00 0.00 H new ATOM 1929 N ALA B 50 -9.229 5.896 1.520 1.00 0.00 N ATOM 1930 CA ALA B 50 -10.391 5.536 2.318 1.00 0.00 C ATOM 1931 C ALA B 50 -10.273 6.075 3.735 1.00 0.00 C ATOM 1932 O ALA B 50 -11.192 6.718 4.230 1.00 0.00 O ATOM 1933 CB ALA B 50 -10.577 4.030 2.353 1.00 0.00 C ATOM 0 H ALA B 50 -8.669 5.103 1.206 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.264 5.988 1.847 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.452 3.785 2.955 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.719 3.657 1.339 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.694 3.564 2.790 1.00 0.00 H new ATOM 1939 N TYR B 51 -9.143 5.805 4.386 1.00 0.00 N ATOM 1940 CA TYR B 51 -8.918 6.283 5.746 1.00 0.00 C ATOM 1941 C TYR B 51 -8.827 7.803 5.776 1.00 0.00 C ATOM 1942 O TYR B 51 -9.211 8.441 6.755 1.00 0.00 O ATOM 1943 CB TYR B 51 -7.645 5.673 6.324 1.00 0.00 C ATOM 1944 CG TYR B 51 -7.716 4.169 6.487 1.00 0.00 C ATOM 1945 CD1 TYR B 51 -8.873 3.553 6.951 1.00 0.00 C ATOM 1946 CD2 TYR B 51 -6.628 3.366 6.177 1.00 0.00 C ATOM 1947 CE1 TYR B 51 -8.943 2.180 7.100 1.00 0.00 C ATOM 1948 CE2 TYR B 51 -6.693 1.990 6.324 1.00 0.00 C ATOM 1949 CZ TYR B 51 -7.853 1.404 6.783 1.00 0.00 C ATOM 1950 OH TYR B 51 -7.925 0.037 6.927 1.00 0.00 O ATOM 0 H TYR B 51 -8.374 5.261 3.995 1.00 0.00 H new ATOM 0 HA TYR B 51 -9.766 5.973 6.357 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.805 5.921 5.675 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -7.442 6.127 7.294 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -9.733 4.158 7.200 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -5.717 3.820 5.816 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -9.850 1.719 7.464 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -5.837 1.378 6.080 1.00 0.00 H new ATOM 0 HH TYR B 51 -7.072 -0.365 6.660 1.00 0.00 H new ATOM 1960 N ARG B 52 -8.322 8.367 4.690 1.00 0.00 N ATOM 1961 CA ARG B 52 -8.227 9.811 4.537 1.00 0.00 C ATOM 1962 C ARG B 52 -9.618 10.439 4.511 1.00 0.00 C ATOM 1963 O ARG B 52 -9.930 11.321 5.314 1.00 0.00 O ATOM 1964 CB ARG B 52 -7.475 10.131 3.243 1.00 0.00 C ATOM 1965 CG ARG B 52 -7.283 11.612 2.988 1.00 0.00 C ATOM 1966 CD ARG B 52 -6.501 11.845 1.713 1.00 0.00 C ATOM 1967 NE ARG B 52 -6.186 13.254 1.523 1.00 0.00 N ATOM 1968 CZ ARG B 52 -5.578 13.730 0.447 1.00 0.00 C ATOM 1969 NH1 ARG B 52 -5.282 12.920 -0.563 1.00 0.00 N ATOM 1970 NH2 ARG B 52 -5.288 15.020 0.377 1.00 0.00 N ATOM 0 H ARG B 52 -7.968 7.839 3.892 1.00 0.00 H new ATOM 0 HA ARG B 52 -7.684 10.227 5.385 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -6.498 9.649 3.275 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -8.017 9.696 2.403 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -8.254 12.102 2.918 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -6.758 12.065 3.829 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -5.578 11.267 1.742 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -7.077 11.483 0.862 1.00 0.00 H new ATOM 0 HE ARG B 52 -6.448 13.910 2.259 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -5.523 11.930 -0.510 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -4.814 13.288 -1.391 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -5.533 15.640 1.149 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -4.820 15.393 -0.449 1.00 0.00 H new ATOM 1984 N GLN B 53 -10.447 9.962 3.592 1.00 0.00 N ATOM 1985 CA GLN B 53 -11.833 10.408 3.484 1.00 0.00 C ATOM 1986 C GLN B 53 -12.591 10.115 4.770 1.00 0.00 C ATOM 1987 O GLN B 53 -13.416 10.915 5.212 1.00 0.00 O ATOM 1988 CB GLN B 53 -12.527 9.716 2.305 1.00 0.00 C ATOM 1989 CG GLN B 53 -12.674 10.581 1.058 1.00 0.00 C ATOM 1990 CD GLN B 53 -11.356 10.898 0.369 1.00 0.00 C ATOM 1991 OE1 GLN B 53 -10.313 11.029 1.003 1.00 0.00 O ATOM 1992 NE2 GLN B 53 -11.400 11.022 -0.947 1.00 0.00 N ATOM 0 H GLN B 53 -10.181 9.259 2.903 1.00 0.00 H new ATOM 0 HA GLN B 53 -11.831 11.485 3.314 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -11.965 8.819 2.045 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -13.517 9.390 2.624 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -13.329 10.073 0.351 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -13.164 11.516 1.332 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -12.285 10.906 -1.441 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -10.549 11.233 -1.468 1.00 0.00 H new ATOM 2001 N LEU B 54 -12.299 8.965 5.365 1.00 0.00 N ATOM 2002 CA LEU B 54 -12.935 8.559 6.608 1.00 0.00 C ATOM 2003 C LEU B 54 -12.618 9.557 7.712 1.00 0.00 C ATOM 2004 O LEU B 54 -13.517 10.035 8.388 1.00 0.00 O ATOM 2005 CB LEU B 54 -12.479 7.141 7.004 1.00 0.00 C ATOM 2006 CG LEU B 54 -13.295 6.446 8.108 1.00 0.00 C ATOM 2007 CD1 LEU B 54 -13.061 4.947 8.062 1.00 0.00 C ATOM 2008 CD2 LEU B 54 -12.923 6.974 9.485 1.00 0.00 C ATOM 0 H LEU B 54 -11.621 8.295 5.002 1.00 0.00 H new ATOM 0 HA LEU B 54 -14.015 8.542 6.462 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.503 6.513 6.114 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -11.440 7.194 7.329 1.00 0.00 H new ATOM 0 HG LEU B 54 -14.349 6.660 7.929 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -13.643 4.464 8.847 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -13.370 4.560 7.091 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -12.002 4.739 8.215 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -13.517 6.463 10.243 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -11.864 6.793 9.670 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -13.121 8.045 9.530 1.00 0.00 H new ATOM 2020 N ASP B 55 -11.340 9.886 7.878 1.00 0.00 N ATOM 2021 CA ASP B 55 -10.916 10.806 8.932 1.00 0.00 C ATOM 2022 C ASP B 55 -11.404 12.226 8.648 1.00 0.00 C ATOM 2023 O ASP B 55 -11.649 13.003 9.570 1.00 0.00 O ATOM 2024 CB ASP B 55 -9.394 10.792 9.094 1.00 0.00 C ATOM 2025 CG ASP B 55 -8.939 11.582 10.306 1.00 0.00 C ATOM 2026 OD1 ASP B 55 -9.158 11.112 11.445 1.00 0.00 O ATOM 2027 OD2 ASP B 55 -8.353 12.669 10.130 1.00 0.00 O ATOM 0 H ASP B 55 -10.580 9.531 7.298 1.00 0.00 H new ATOM 0 HA ASP B 55 -11.365 10.467 9.866 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -9.049 9.762 9.184 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -8.931 11.206 8.198 1.00 0.00 H new ATOM 2032 N GLU B 56 -11.558 12.559 7.373 1.00 0.00 N ATOM 2033 CA GLU B 56 -12.118 13.848 6.976 1.00 0.00 C ATOM 2034 C GLU B 56 -13.569 13.964 7.408 1.00 0.00 C ATOM 2035 O GLU B 56 -13.962 14.951 8.032 1.00 0.00 O ATOM 2036 CB GLU B 56 -11.998 14.042 5.463 1.00 0.00 C ATOM 2037 CG GLU B 56 -10.770 14.827 5.042 1.00 0.00 C ATOM 2038 CD GLU B 56 -10.857 16.284 5.440 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -11.397 17.084 4.652 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -10.388 16.637 6.541 1.00 0.00 O ATOM 0 H GLU B 56 -11.303 11.954 6.593 1.00 0.00 H new ATOM 0 HA GLU B 56 -11.548 14.632 7.475 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -11.976 13.064 4.981 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -12.888 14.556 5.100 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -9.884 14.381 5.494 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -10.648 14.754 3.961 1.00 0.00 H new ATOM 2047 N PHE B 57 -14.361 12.955 7.084 1.00 0.00 N ATOM 2048 CA PHE B 57 -15.756 12.953 7.481 1.00 0.00 C ATOM 2049 C PHE B 57 -15.856 12.707 8.984 1.00 0.00 C ATOM 2050 O PHE B 57 -16.790 13.157 9.641 1.00 0.00 O ATOM 2051 CB PHE B 57 -16.539 11.901 6.696 1.00 0.00 C ATOM 2052 CG PHE B 57 -18.003 12.209 6.612 1.00 0.00 C ATOM 2053 CD1 PHE B 57 -18.459 13.214 5.775 1.00 0.00 C ATOM 2054 CD2 PHE B 57 -18.917 11.506 7.372 1.00 0.00 C ATOM 2055 CE1 PHE B 57 -19.805 13.509 5.694 1.00 0.00 C ATOM 2056 CE2 PHE B 57 -20.264 11.798 7.297 1.00 0.00 C ATOM 2057 CZ PHE B 57 -20.709 12.800 6.458 1.00 0.00 C ATOM 0 H PHE B 57 -14.065 12.136 6.553 1.00 0.00 H new ATOM 0 HA PHE B 57 -16.196 13.924 7.255 1.00 0.00 H new ATOM 0 HB2 PHE B 57 -16.130 11.827 5.688 1.00 0.00 H new ATOM 0 HB3 PHE B 57 -16.404 10.928 7.167 1.00 0.00 H new ATOM 0 HD1 PHE B 57 -17.753 13.773 5.179 1.00 0.00 H new ATOM 0 HD2 PHE B 57 -18.575 10.721 8.030 1.00 0.00 H new ATOM 0 HE1 PHE B 57 -20.149 14.292 5.035 1.00 0.00 H new ATOM 0 HE2 PHE B 57 -20.971 11.242 7.895 1.00 0.00 H new ATOM 0 HZ PHE B 57 -21.763 13.028 6.400 1.00 0.00 H new ATOM 2067 N ARG B 58 -14.867 11.997 9.515 1.00 0.00 N ATOM 2068 CA ARG B 58 -14.727 11.799 10.952 1.00 0.00 C ATOM 2069 C ARG B 58 -14.607 13.143 11.653 1.00 0.00 C ATOM 2070 O ARG B 58 -15.337 13.418 12.596 1.00 0.00 O ATOM 2071 CB ARG B 58 -13.486 10.952 11.232 1.00 0.00 C ATOM 2072 CG ARG B 58 -13.150 10.752 12.701 1.00 0.00 C ATOM 2073 CD ARG B 58 -11.802 10.062 12.832 1.00 0.00 C ATOM 2074 NE ARG B 58 -11.419 9.807 14.219 1.00 0.00 N ATOM 2075 CZ ARG B 58 -10.180 9.485 14.592 1.00 0.00 C ATOM 2076 NH1 ARG B 58 -9.183 9.506 13.713 1.00 0.00 N ATOM 2077 NH2 ARG B 58 -9.930 9.175 15.855 1.00 0.00 N ATOM 0 H ARG B 58 -14.140 11.543 8.962 1.00 0.00 H new ATOM 0 HA ARG B 58 -15.609 11.283 11.331 1.00 0.00 H new ATOM 0 HB2 ARG B 58 -13.624 9.973 10.772 1.00 0.00 H new ATOM 0 HB3 ARG B 58 -12.631 11.418 10.741 1.00 0.00 H new ATOM 0 HG2 ARG B 58 -13.127 11.714 13.213 1.00 0.00 H new ATOM 0 HG3 ARG B 58 -13.923 10.153 13.182 1.00 0.00 H new ATOM 0 HD2 ARG B 58 -11.831 9.117 12.290 1.00 0.00 H new ATOM 0 HD3 ARG B 58 -11.038 10.678 12.358 1.00 0.00 H new ATOM 0 HE ARG B 58 -12.137 9.879 14.940 1.00 0.00 H new ATOM 0 HH11 ARG B 58 -9.363 9.770 12.744 1.00 0.00 H new ATOM 0 HH12 ARG B 58 -8.238 9.258 14.007 1.00 0.00 H new ATOM 0 HH21 ARG B 58 -10.685 9.183 16.541 1.00 0.00 H new ATOM 0 HH22 ARG B 58 -8.983 8.928 16.142 1.00 0.00 H new ATOM 2091 N LYS B 59 -13.690 13.981 11.172 1.00 0.00 N ATOM 2092 CA LYS B 59 -13.516 15.320 11.719 1.00 0.00 C ATOM 2093 C LYS B 59 -14.824 16.093 11.671 1.00 0.00 C ATOM 2094 O LYS B 59 -15.221 16.715 12.654 1.00 0.00 O ATOM 2095 CB LYS B 59 -12.427 16.081 10.956 1.00 0.00 C ATOM 2096 CG LYS B 59 -11.024 15.780 11.447 1.00 0.00 C ATOM 2097 CD LYS B 59 -10.838 16.270 12.872 1.00 0.00 C ATOM 2098 CE LYS B 59 -9.466 15.925 13.419 1.00 0.00 C ATOM 2099 NZ LYS B 59 -9.278 16.468 14.787 1.00 0.00 N ATOM 0 H LYS B 59 -13.058 13.754 10.405 1.00 0.00 H new ATOM 0 HA LYS B 59 -13.207 15.221 12.759 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -12.494 15.832 9.897 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -12.613 17.151 11.044 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -10.839 14.707 11.399 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -10.294 16.259 10.794 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -10.980 17.350 12.905 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -11.604 15.828 13.510 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -9.340 14.842 13.435 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -8.697 16.325 12.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -8.331 16.215 15.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -9.374 17.503 14.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -9.997 16.066 15.422 1.00 0.00 H new ATOM 2113 N SER B 60 -15.490 16.033 10.528 1.00 0.00 N ATOM 2114 CA SER B 60 -16.774 16.699 10.361 1.00 0.00 C ATOM 2115 C SER B 60 -17.823 16.180 11.350 1.00 0.00 C ATOM 2116 O SER B 60 -18.350 16.938 12.167 1.00 0.00 O ATOM 2117 CB SER B 60 -17.266 16.536 8.920 1.00 0.00 C ATOM 2118 OG SER B 60 -16.328 17.079 8.000 1.00 0.00 O ATOM 0 H SER B 60 -15.164 15.531 9.703 1.00 0.00 H new ATOM 0 HA SER B 60 -16.628 17.758 10.573 1.00 0.00 H new ATOM 0 HB2 SER B 60 -17.425 15.480 8.703 1.00 0.00 H new ATOM 0 HB3 SER B 60 -18.228 17.034 8.801 1.00 0.00 H new ATOM 0 HG SER B 60 -15.542 16.496 7.952 1.00 0.00 H new ATOM 2124 N THR B 61 -18.105 14.891 11.287 1.00 0.00 N ATOM 2125 CA THR B 61 -19.170 14.297 12.085 1.00 0.00 C ATOM 2126 C THR B 61 -18.843 14.289 13.580 1.00 0.00 C ATOM 2127 O THR B 61 -19.656 14.721 14.394 1.00 0.00 O ATOM 2128 CB THR B 61 -19.467 12.860 11.620 1.00 0.00 C ATOM 2129 OG1 THR B 61 -19.729 12.853 10.212 1.00 0.00 O ATOM 2130 CG2 THR B 61 -20.664 12.280 12.358 1.00 0.00 C ATOM 0 H THR B 61 -17.610 14.230 10.689 1.00 0.00 H new ATOM 0 HA THR B 61 -20.052 14.920 11.936 1.00 0.00 H new ATOM 0 HB THR B 61 -18.594 12.245 11.840 1.00 0.00 H new ATOM 0 HG1 THR B 61 -18.883 12.914 9.721 1.00 0.00 H new ATOM 0 HG21 THR B 61 -20.850 11.264 12.009 1.00 0.00 H new ATOM 0 HG22 THR B 61 -20.459 12.264 13.428 1.00 0.00 H new ATOM 0 HG23 THR B 61 -21.543 12.896 12.167 1.00 0.00 H new