USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 55 LYS NZ :NH3+ -178:sc= -0.426 (180deg=0.0743) USER MOD Set 1.2: A 56 ASN : amide:sc= -2.39! C(o=-2.8!,f=-4!) USER MOD Set 2.1: A 13 TYR OH : rot 51:sc= -2.94! USER MOD Set 2.2: A 34 THR OG1 : rot 153:sc= -0.892! USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 165:sc= -0.52 (180deg=-1.27) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= -0.0429 (180deg=-0.485) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -146:sc=-0.000126 (180deg=-0.321) USER MOD Single : A 22 GLN : amide:sc= -18! C(o=-18!,f=-12!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 25 LYS NZ :NH3+ -123:sc= 0.0304 (180deg=-0.0245) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.206) USER MOD Single : A 33 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.8) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0099 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00206 USER MOD Single : A 45 THR OG1 : rot -140:sc= -5.99! USER MOD Single : A 62 SER OG : rot 180:sc= -1.09! USER MOD Single : A 67 GLN : amide:sc= -11.5! C(o=-12!,f=-16!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -23.291 -4.525 5.044 1.00 0.00 N ATOM 2 CA MET A 0 -21.993 -4.207 5.703 1.00 0.00 C ATOM 3 C MET A 0 -20.846 -4.458 4.719 1.00 0.00 C ATOM 4 O MET A 0 -19.935 -5.212 4.993 1.00 0.00 O ATOM 5 CB MET A 0 -21.814 -5.098 6.934 1.00 0.00 C ATOM 6 CG MET A 0 -22.445 -6.467 6.673 1.00 0.00 C ATOM 7 SD MET A 0 -22.333 -7.479 8.170 1.00 0.00 S ATOM 8 CE MET A 0 -22.075 -9.072 7.349 1.00 0.00 C ATOM 0 H1 MET A 0 -24.036 -4.603 5.765 1.00 0.00 H new ATOM 0 H2 MET A 0 -23.535 -3.768 4.374 1.00 0.00 H new ATOM 0 H3 MET A 0 -23.209 -5.427 4.532 1.00 0.00 H new ATOM 0 HA MET A 0 -21.987 -3.161 6.008 1.00 0.00 H new ATOM 0 HB2 MET A 0 -20.754 -5.212 7.162 1.00 0.00 H new ATOM 0 HB3 MET A 0 -22.278 -4.632 7.803 1.00 0.00 H new ATOM 0 HG2 MET A 0 -23.488 -6.348 6.379 1.00 0.00 H new ATOM 0 HG3 MET A 0 -21.935 -6.963 5.847 1.00 0.00 H new ATOM 0 HE1 MET A 0 -21.978 -9.857 8.099 1.00 0.00 H new ATOM 0 HE2 MET A 0 -22.926 -9.291 6.704 1.00 0.00 H new ATOM 0 HE3 MET A 0 -21.166 -9.029 6.749 1.00 0.00 H new ATOM 18 N LYS A 1 -20.885 -3.831 3.574 1.00 0.00 N ATOM 19 CA LYS A 1 -19.797 -4.036 2.577 1.00 0.00 C ATOM 20 C LYS A 1 -19.988 -3.071 1.405 1.00 0.00 C ATOM 21 O LYS A 1 -21.088 -2.650 1.108 1.00 0.00 O ATOM 22 CB LYS A 1 -19.842 -5.476 2.062 1.00 0.00 C ATOM 23 CG LYS A 1 -21.255 -5.803 1.573 1.00 0.00 C ATOM 24 CD LYS A 1 -21.190 -6.953 0.566 1.00 0.00 C ATOM 25 CE LYS A 1 -22.607 -7.432 0.239 1.00 0.00 C ATOM 26 NZ LYS A 1 -23.201 -6.549 -0.804 1.00 0.00 N ATOM 0 H LYS A 1 -21.622 -3.187 3.287 1.00 0.00 H new ATOM 0 HA LYS A 1 -18.833 -3.848 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -19.126 -5.605 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -19.552 -6.166 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -21.889 -6.078 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -21.704 -4.924 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -20.688 -6.625 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -20.603 -7.775 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -22.582 -8.463 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -23.224 -7.417 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -24.164 -6.874 -1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -23.238 -5.571 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -22.616 -6.585 -1.663 1.00 0.00 H new ATOM 40 N SER A 2 -18.924 -2.717 0.736 1.00 0.00 N ATOM 41 CA SER A 2 -19.044 -1.778 -0.414 1.00 0.00 C ATOM 42 C SER A 2 -17.680 -1.627 -1.097 1.00 0.00 C ATOM 43 O SER A 2 -16.657 -1.799 -0.471 1.00 0.00 O ATOM 44 CB SER A 2 -19.514 -0.414 0.092 1.00 0.00 C ATOM 45 OG SER A 2 -18.804 -0.086 1.280 1.00 0.00 O ATOM 0 H SER A 2 -17.977 -3.038 0.937 1.00 0.00 H new ATOM 0 HA SER A 2 -19.766 -2.170 -1.130 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.345 0.348 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.586 -0.435 0.289 1.00 0.00 H new ATOM 0 HG SER A 2 -19.101 0.789 1.607 1.00 0.00 H new ATOM 51 N PRO A 3 -17.710 -1.307 -2.368 1.00 0.00 N ATOM 52 CA PRO A 3 -16.481 -1.122 -3.164 1.00 0.00 C ATOM 53 C PRO A 3 -15.677 0.069 -2.627 1.00 0.00 C ATOM 54 O PRO A 3 -14.500 0.206 -2.891 1.00 0.00 O ATOM 55 CB PRO A 3 -16.976 -0.834 -4.588 1.00 0.00 C ATOM 56 CG PRO A 3 -18.526 -0.820 -4.556 1.00 0.00 C ATOM 57 CD PRO A 3 -18.967 -1.110 -3.112 1.00 0.00 C ATOM 0 HA PRO A 3 -15.826 -1.992 -3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.592 0.124 -4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.615 -1.595 -5.279 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.906 0.147 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -18.929 -1.570 -5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.545 -0.282 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.600 -1.996 -3.062 1.00 0.00 H new ATOM 65 N GLU A 4 -16.309 0.925 -1.871 1.00 0.00 N ATOM 66 CA GLU A 4 -15.596 2.101 -1.306 1.00 0.00 C ATOM 67 C GLU A 4 -14.839 1.667 -0.052 1.00 0.00 C ATOM 68 O GLU A 4 -14.275 2.473 0.660 1.00 0.00 O ATOM 69 CB GLU A 4 -16.617 3.185 -0.950 1.00 0.00 C ATOM 70 CG GLU A 4 -17.649 3.313 -2.077 1.00 0.00 C ATOM 71 CD GLU A 4 -17.126 4.278 -3.144 1.00 0.00 C ATOM 72 OE1 GLU A 4 -15.930 4.269 -3.389 1.00 0.00 O ATOM 73 OE2 GLU A 4 -17.931 5.008 -3.699 1.00 0.00 O ATOM 0 H GLU A 4 -17.295 0.858 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.891 2.499 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.116 2.935 -0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.111 4.138 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.843 2.336 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.596 3.675 -1.677 1.00 0.00 H new ATOM 80 N GLU A 5 -14.820 0.391 0.221 1.00 0.00 N ATOM 81 CA GLU A 5 -14.109 -0.109 1.418 1.00 0.00 C ATOM 82 C GLU A 5 -12.594 -0.073 1.160 1.00 0.00 C ATOM 83 O GLU A 5 -11.804 -0.447 2.004 1.00 0.00 O ATOM 84 CB GLU A 5 -14.599 -1.542 1.704 1.00 0.00 C ATOM 85 CG GLU A 5 -13.448 -2.440 2.159 1.00 0.00 C ATOM 86 CD GLU A 5 -14.010 -3.767 2.672 1.00 0.00 C ATOM 87 OE1 GLU A 5 -14.878 -3.728 3.528 1.00 0.00 O ATOM 88 OE2 GLU A 5 -13.565 -4.799 2.199 1.00 0.00 O ATOM 0 H GLU A 5 -15.273 -0.328 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.314 0.515 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.371 -1.518 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.056 -1.959 0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.763 -2.619 1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.876 -1.947 2.945 1.00 0.00 H new ATOM 95 N LEU A 6 -12.180 0.401 0.013 1.00 0.00 N ATOM 96 CA LEU A 6 -10.710 0.481 -0.261 1.00 0.00 C ATOM 97 C LEU A 6 -10.208 1.761 0.365 1.00 0.00 C ATOM 98 O LEU A 6 -9.275 1.791 1.134 1.00 0.00 O ATOM 99 CB LEU A 6 -10.413 0.486 -1.769 1.00 0.00 C ATOM 100 CG LEU A 6 -11.691 0.285 -2.585 1.00 0.00 C ATOM 101 CD1 LEU A 6 -12.352 1.642 -2.832 1.00 0.00 C ATOM 102 CD2 LEU A 6 -11.338 -0.355 -3.929 1.00 0.00 C ATOM 0 H LEU A 6 -12.785 0.733 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.210 -0.392 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.946 1.431 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.700 -0.304 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 6 -12.376 -0.363 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -13.263 1.502 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.598 2.106 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.666 2.286 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.247 -0.500 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.656 0.297 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.859 -1.319 -3.758 1.00 0.00 H new ATOM 114 N LYS A 7 -10.861 2.816 0.050 1.00 0.00 N ATOM 115 CA LYS A 7 -10.518 4.123 0.604 1.00 0.00 C ATOM 116 C LYS A 7 -10.740 4.162 2.135 1.00 0.00 C ATOM 117 O LYS A 7 -10.384 5.122 2.791 1.00 0.00 O ATOM 118 CB LYS A 7 -11.431 5.084 -0.148 1.00 0.00 C ATOM 119 CG LYS A 7 -12.165 6.008 0.812 1.00 0.00 C ATOM 120 CD LYS A 7 -13.276 5.165 1.461 1.00 0.00 C ATOM 121 CE LYS A 7 -14.478 5.075 0.517 1.00 0.00 C ATOM 122 NZ LYS A 7 -15.146 6.405 0.426 1.00 0.00 N ATOM 0 H LYS A 7 -11.651 2.826 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.466 4.380 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.842 5.676 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.153 4.518 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.485 6.403 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.585 6.863 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.903 4.166 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.578 5.612 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.153 4.752 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.183 4.327 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.148 6.274 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.076 6.892 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.681 6.978 -0.307 1.00 0.00 H new ATOM 136 N GLY A 8 -11.339 3.149 2.706 1.00 0.00 N ATOM 137 CA GLY A 8 -11.594 3.175 4.174 1.00 0.00 C ATOM 138 C GLY A 8 -10.457 2.489 4.926 1.00 0.00 C ATOM 139 O GLY A 8 -10.451 2.438 6.139 1.00 0.00 O ATOM 0 H GLY A 8 -11.660 2.311 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.693 4.206 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.537 2.675 4.394 1.00 0.00 H new ATOM 143 N ILE A 9 -9.492 1.960 4.229 1.00 0.00 N ATOM 144 CA ILE A 9 -8.374 1.286 4.938 1.00 0.00 C ATOM 145 C ILE A 9 -7.081 2.075 4.724 1.00 0.00 C ATOM 146 O ILE A 9 -6.485 2.552 5.659 1.00 0.00 O ATOM 147 CB ILE A 9 -8.253 -0.157 4.444 1.00 0.00 C ATOM 148 CG1 ILE A 9 -7.982 -0.223 2.945 1.00 0.00 C ATOM 149 CG2 ILE A 9 -9.572 -0.875 4.719 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.477 -0.330 2.708 1.00 0.00 C ATOM 0 H ILE A 9 -9.430 1.965 3.211 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.570 1.256 6.010 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.419 -0.625 4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.492 -1.082 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.377 0.666 2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.504 -1.906 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.776 -0.864 5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.379 -0.368 4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.280 -0.377 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.979 0.543 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.096 -1.232 3.187 1.00 0.00 H new ATOM 162 N PHE A 10 -6.668 2.245 3.504 1.00 0.00 N ATOM 163 CA PHE A 10 -5.439 3.041 3.208 1.00 0.00 C ATOM 164 C PHE A 10 -5.398 4.256 4.124 1.00 0.00 C ATOM 165 O PHE A 10 -4.553 4.390 4.985 1.00 0.00 O ATOM 166 CB PHE A 10 -5.549 3.547 1.780 1.00 0.00 C ATOM 167 CG PHE A 10 -4.387 4.453 1.460 1.00 0.00 C ATOM 168 CD1 PHE A 10 -3.148 3.909 1.108 1.00 0.00 C ATOM 169 CD2 PHE A 10 -4.555 5.842 1.510 1.00 0.00 C ATOM 170 CE1 PHE A 10 -2.075 4.755 0.805 1.00 0.00 C ATOM 171 CE2 PHE A 10 -3.483 6.688 1.207 1.00 0.00 C ATOM 172 CZ PHE A 10 -2.242 6.143 0.855 1.00 0.00 C ATOM 0 H PHE A 10 -7.135 1.862 2.682 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.549 2.428 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.565 2.705 1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.487 4.086 1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.019 2.837 1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.513 6.260 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.118 4.336 0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.612 7.760 1.244 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.413 6.795 0.622 1.00 0.00 H new ATOM 182 N GLU A 11 -6.317 5.146 3.912 1.00 0.00 N ATOM 183 CA GLU A 11 -6.380 6.387 4.736 1.00 0.00 C ATOM 184 C GLU A 11 -6.129 6.054 6.212 1.00 0.00 C ATOM 185 O GLU A 11 -5.421 6.761 6.899 1.00 0.00 O ATOM 186 CB GLU A 11 -7.762 7.030 4.581 1.00 0.00 C ATOM 187 CG GLU A 11 -7.839 8.290 5.446 1.00 0.00 C ATOM 188 CD GLU A 11 -6.975 9.390 4.824 1.00 0.00 C ATOM 189 OE1 GLU A 11 -5.763 9.288 4.922 1.00 0.00 O ATOM 190 OE2 GLU A 11 -7.539 10.312 4.260 1.00 0.00 O ATOM 0 H GLU A 11 -7.039 5.070 3.195 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.612 7.082 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.942 7.282 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.538 6.325 4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.873 8.626 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.496 8.071 6.457 1.00 0.00 H new ATOM 197 N LYS A 12 -6.701 4.987 6.710 1.00 0.00 N ATOM 198 CA LYS A 12 -6.477 4.630 8.144 1.00 0.00 C ATOM 199 C LYS A 12 -4.993 4.330 8.359 1.00 0.00 C ATOM 200 O LYS A 12 -4.399 4.742 9.333 1.00 0.00 O ATOM 201 CB LYS A 12 -7.341 3.407 8.533 1.00 0.00 C ATOM 202 CG LYS A 12 -6.525 2.097 8.503 1.00 0.00 C ATOM 203 CD LYS A 12 -5.561 2.040 9.701 1.00 0.00 C ATOM 204 CE LYS A 12 -6.009 0.955 10.683 1.00 0.00 C ATOM 205 NZ LYS A 12 -6.182 1.553 12.036 1.00 0.00 N ATOM 0 H LYS A 12 -7.308 4.353 6.191 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.770 5.466 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.753 3.556 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.185 3.325 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.199 1.240 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.962 2.032 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.549 1.832 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.534 3.007 10.203 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.946 0.510 10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.270 0.154 10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.486 0.817 12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.279 1.958 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.902 2.302 11.995 1.00 0.00 H new ATOM 219 N TYR A 13 -4.395 3.601 7.455 1.00 0.00 N ATOM 220 CA TYR A 13 -2.958 3.253 7.601 1.00 0.00 C ATOM 221 C TYR A 13 -2.097 4.491 7.400 1.00 0.00 C ATOM 222 O TYR A 13 -0.885 4.432 7.462 1.00 0.00 O ATOM 223 CB TYR A 13 -2.598 2.170 6.596 1.00 0.00 C ATOM 224 CG TYR A 13 -3.167 0.877 7.111 1.00 0.00 C ATOM 225 CD1 TYR A 13 -2.460 0.133 8.059 1.00 0.00 C ATOM 226 CD2 TYR A 13 -4.419 0.440 6.667 1.00 0.00 C ATOM 227 CE1 TYR A 13 -3.003 -1.051 8.565 1.00 0.00 C ATOM 228 CE2 TYR A 13 -4.962 -0.746 7.169 1.00 0.00 C ATOM 229 CZ TYR A 13 -4.254 -1.494 8.119 1.00 0.00 C ATOM 230 OH TYR A 13 -4.792 -2.663 8.617 1.00 0.00 O ATOM 0 H TYR A 13 -4.846 3.231 6.618 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.772 2.874 8.606 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.007 2.406 5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.517 2.096 6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.494 0.473 8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.966 1.018 5.937 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.458 -1.624 9.300 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.928 -1.086 6.825 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.768 -2.643 9.597 1.00 0.00 H new ATOM 240 N ASP A 15 -2.714 5.621 7.217 1.00 0.00 N ATOM 241 CA ASP A 15 -1.963 6.875 7.087 1.00 0.00 C ATOM 242 C ASP A 15 -1.784 7.396 8.512 1.00 0.00 C ATOM 243 O ASP A 15 -2.093 8.530 8.823 1.00 0.00 O ATOM 244 CB ASP A 15 -2.791 7.857 6.262 1.00 0.00 C ATOM 245 CG ASP A 15 -1.868 8.661 5.343 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.962 9.297 5.856 1.00 0.00 O ATOM 247 OD2 ASP A 15 -2.083 8.626 4.142 1.00 0.00 O ATOM 0 H ASP A 15 -3.727 5.720 7.152 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.001 6.742 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.530 7.317 5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.340 8.529 6.921 1.00 0.00 H new ATOM 252 N LYS A 16 -1.323 6.532 9.385 1.00 0.00 N ATOM 253 CA LYS A 16 -1.136 6.893 10.816 1.00 0.00 C ATOM 254 C LYS A 16 0.169 7.681 10.997 1.00 0.00 C ATOM 255 O LYS A 16 0.919 7.452 11.925 1.00 0.00 O ATOM 256 CB LYS A 16 -1.081 5.599 11.656 1.00 0.00 C ATOM 257 CG LYS A 16 -1.886 4.472 10.976 1.00 0.00 C ATOM 258 CD LYS A 16 -1.938 3.242 11.886 1.00 0.00 C ATOM 259 CE LYS A 16 -0.556 2.590 11.936 1.00 0.00 C ATOM 260 NZ LYS A 16 0.127 2.965 13.207 1.00 0.00 N ATOM 0 H LYS A 16 -1.065 5.572 9.155 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.969 7.515 11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.045 5.286 11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.482 5.789 12.652 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.897 4.816 10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.427 4.210 10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.253 3.531 12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.675 2.531 11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.651 1.506 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.040 2.912 11.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.150 3.052 13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.246 3.874 13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.045 2.231 13.923 1.00 0.00 H new ATOM 274 N GLU A 17 0.439 8.616 10.123 1.00 0.00 N ATOM 275 CA GLU A 17 1.679 9.431 10.243 1.00 0.00 C ATOM 276 C GLU A 17 1.324 10.898 9.995 1.00 0.00 C ATOM 277 O GLU A 17 1.782 11.786 10.685 1.00 0.00 O ATOM 278 CB GLU A 17 2.698 8.974 9.197 1.00 0.00 C ATOM 279 CG GLU A 17 3.868 9.959 9.168 1.00 0.00 C ATOM 280 CD GLU A 17 5.075 9.302 8.494 1.00 0.00 C ATOM 281 OE1 GLU A 17 5.036 8.100 8.297 1.00 0.00 O ATOM 282 OE2 GLU A 17 6.016 10.014 8.185 1.00 0.00 O ATOM 0 H GLU A 17 -0.153 8.850 9.326 1.00 0.00 H new ATOM 0 HA GLU A 17 2.108 9.310 11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.056 7.972 9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.229 8.920 8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.583 10.862 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.126 10.263 10.182 1.00 0.00 H new ATOM 289 N GLY A 18 0.498 11.150 9.016 1.00 0.00 N ATOM 290 CA GLY A 18 0.090 12.546 8.713 1.00 0.00 C ATOM 291 C GLY A 18 0.785 13.043 7.440 1.00 0.00 C ATOM 292 O GLY A 18 1.303 14.141 7.399 1.00 0.00 O ATOM 0 H GLY A 18 0.087 10.440 8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.992 12.596 8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.344 13.196 9.551 1.00 0.00 H new ATOM 296 N ASP A 19 0.806 12.251 6.397 1.00 0.00 N ATOM 297 CA ASP A 19 1.476 12.703 5.140 1.00 0.00 C ATOM 298 C ASP A 19 0.477 12.718 3.973 1.00 0.00 C ATOM 299 O ASP A 19 0.627 13.470 3.031 1.00 0.00 O ATOM 300 CB ASP A 19 2.635 11.757 4.801 1.00 0.00 C ATOM 301 CG ASP A 19 2.387 10.378 5.419 1.00 0.00 C ATOM 302 OD1 ASP A 19 1.305 9.848 5.223 1.00 0.00 O ATOM 303 OD2 ASP A 19 3.284 9.876 6.077 1.00 0.00 O ATOM 0 H ASP A 19 0.392 11.319 6.361 1.00 0.00 H new ATOM 0 HA ASP A 19 1.857 13.712 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.736 11.666 3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.572 12.169 5.176 1.00 0.00 H new ATOM 308 N GLY A 20 -0.530 11.885 4.014 1.00 0.00 N ATOM 309 CA GLY A 20 -1.516 11.848 2.897 1.00 0.00 C ATOM 310 C GLY A 20 -1.296 10.563 2.102 1.00 0.00 C ATOM 311 O GLY A 20 -2.225 9.943 1.623 1.00 0.00 O ATOM 0 H GLY A 20 -0.711 11.229 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.533 11.883 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.392 12.718 2.253 1.00 0.00 H new ATOM 315 N GLN A 22 -0.065 10.156 1.973 1.00 0.00 N ATOM 316 CA GLN A 22 0.250 8.917 1.232 1.00 0.00 C ATOM 317 C GLN A 22 1.077 8.006 2.139 1.00 0.00 C ATOM 318 O GLN A 22 1.296 8.313 3.294 1.00 0.00 O ATOM 319 CB GLN A 22 1.033 9.278 -0.037 1.00 0.00 C ATOM 320 CG GLN A 22 2.130 10.284 0.309 1.00 0.00 C ATOM 321 CD GLN A 22 3.219 9.597 1.134 1.00 0.00 C ATOM 322 OE1 GLN A 22 3.738 10.170 2.072 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.595 8.386 0.822 1.00 0.00 N ATOM 0 H GLN A 22 0.745 10.642 2.358 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.662 8.397 0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.472 8.381 -0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.361 9.700 -0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.559 10.697 -0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.708 11.118 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.160 7.904 0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.323 7.922 1.365 1.00 0.00 H new ATOM 332 N LEU A 23 1.523 6.879 1.655 1.00 0.00 N ATOM 333 CA LEU A 23 2.302 5.978 2.533 1.00 0.00 C ATOM 334 C LEU A 23 3.732 5.838 2.072 1.00 0.00 C ATOM 335 O LEU A 23 3.993 5.330 0.999 1.00 0.00 O ATOM 336 CB LEU A 23 1.779 4.551 2.459 1.00 0.00 C ATOM 337 CG LEU A 23 0.299 4.441 2.734 1.00 0.00 C ATOM 338 CD1 LEU A 23 -0.115 3.043 2.274 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.051 4.571 4.242 1.00 0.00 C ATOM 0 H LEU A 23 1.381 6.551 0.700 1.00 0.00 H new ATOM 0 HA LEU A 23 2.221 6.420 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.988 4.146 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.321 3.935 3.177 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.265 5.219 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.182 2.904 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.096 2.933 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.445 2.295 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.017 4.492 4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.579 3.775 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.415 5.538 4.588 1.00 0.00 H new ATOM 351 N SER A 24 4.665 6.107 2.918 1.00 0.00 N ATOM 352 CA SER A 24 6.038 5.776 2.525 1.00 0.00 C ATOM 353 C SER A 24 6.013 4.273 2.749 1.00 0.00 C ATOM 354 O SER A 24 5.100 3.795 3.390 1.00 0.00 O ATOM 355 CB SER A 24 7.056 6.451 3.448 1.00 0.00 C ATOM 356 OG SER A 24 6.579 6.403 4.786 1.00 0.00 O ATOM 0 H SER A 24 4.543 6.529 3.838 1.00 0.00 H new ATOM 0 HA SER A 24 6.322 6.094 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.020 5.948 3.375 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.212 7.485 3.142 1.00 0.00 H new ATOM 0 HG SER A 24 7.229 6.833 5.381 1.00 0.00 H new ATOM 362 N LYS A 25 6.901 3.485 2.252 1.00 0.00 N ATOM 363 CA LYS A 25 6.706 2.037 2.534 1.00 0.00 C ATOM 364 C LYS A 25 6.623 1.782 4.045 1.00 0.00 C ATOM 365 O LYS A 25 6.229 0.717 4.473 1.00 0.00 O ATOM 366 CB LYS A 25 7.800 1.185 1.902 1.00 0.00 C ATOM 367 CG LYS A 25 7.208 0.459 0.703 1.00 0.00 C ATOM 368 CD LYS A 25 7.343 -1.045 0.928 1.00 0.00 C ATOM 369 CE LYS A 25 8.814 -1.394 1.161 1.00 0.00 C ATOM 370 NZ LYS A 25 8.916 -2.471 2.185 1.00 0.00 N ATOM 0 H LYS A 25 7.713 3.748 1.693 1.00 0.00 H new ATOM 0 HA LYS A 25 5.759 1.742 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.637 1.811 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.189 0.469 2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.160 0.730 0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.725 0.753 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.745 -1.350 1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.961 -1.589 0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.273 -1.721 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.360 -0.511 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.512 -2.146 2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.967 -2.702 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.340 -3.318 1.756 1.00 0.00 H new ATOM 384 N GLU A 26 6.958 2.744 4.863 1.00 0.00 N ATOM 385 CA GLU A 26 6.850 2.523 6.331 1.00 0.00 C ATOM 386 C GLU A 26 5.382 2.240 6.675 1.00 0.00 C ATOM 387 O GLU A 26 5.081 1.420 7.512 1.00 0.00 O ATOM 388 CB GLU A 26 7.320 3.776 7.078 1.00 0.00 C ATOM 389 CG GLU A 26 8.782 3.608 7.499 1.00 0.00 C ATOM 390 CD GLU A 26 9.384 4.979 7.814 1.00 0.00 C ATOM 391 OE1 GLU A 26 8.986 5.565 8.809 1.00 0.00 O ATOM 392 OE2 GLU A 26 10.231 5.421 7.056 1.00 0.00 O ATOM 0 H GLU A 26 7.298 3.663 4.581 1.00 0.00 H new ATOM 0 HA GLU A 26 7.473 1.679 6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.214 4.653 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.696 3.943 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.847 2.961 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.348 3.125 6.702 1.00 0.00 H new ATOM 399 N GLU A 27 4.472 2.928 6.029 1.00 0.00 N ATOM 400 CA GLU A 27 3.011 2.726 6.293 1.00 0.00 C ATOM 401 C GLU A 27 2.441 1.630 5.377 1.00 0.00 C ATOM 402 O GLU A 27 1.433 1.024 5.681 1.00 0.00 O ATOM 403 CB GLU A 27 2.274 4.041 6.022 1.00 0.00 C ATOM 404 CG GLU A 27 2.817 5.131 6.951 1.00 0.00 C ATOM 405 CD GLU A 27 2.595 6.504 6.313 1.00 0.00 C ATOM 406 OE1 GLU A 27 1.477 6.774 5.909 1.00 0.00 O ATOM 407 OE2 GLU A 27 3.548 7.262 6.242 1.00 0.00 O ATOM 0 H GLU A 27 4.682 3.631 5.320 1.00 0.00 H new ATOM 0 HA GLU A 27 2.876 2.419 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.406 4.336 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.204 3.911 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.316 5.082 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.880 4.971 7.134 1.00 0.00 H new ATOM 414 N LEU A 28 3.059 1.384 4.251 1.00 0.00 N ATOM 415 CA LEU A 28 2.529 0.343 3.314 1.00 0.00 C ATOM 416 C LEU A 28 2.949 -1.068 3.757 1.00 0.00 C ATOM 417 O LEU A 28 2.109 -1.914 3.994 1.00 0.00 O ATOM 418 CB LEU A 28 3.049 0.633 1.905 1.00 0.00 C ATOM 419 CG LEU A 28 2.610 -0.470 0.944 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.492 0.053 0.041 1.00 0.00 C ATOM 421 CD2 LEU A 28 3.803 -0.880 0.083 1.00 0.00 C ATOM 0 H LEU A 28 3.907 1.857 3.938 1.00 0.00 H new ATOM 0 HA LEU A 28 1.440 0.380 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.672 1.596 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.137 0.703 1.918 1.00 0.00 H new ATOM 0 HG LEU A 28 2.246 -1.328 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.179 -0.735 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.644 0.359 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.855 0.908 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.500 -1.668 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.157 -0.018 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.605 -1.247 0.724 1.00 0.00 H new ATOM 433 N LYS A 29 4.227 -1.338 3.866 1.00 0.00 N ATOM 434 CA LYS A 29 4.664 -2.699 4.292 1.00 0.00 C ATOM 435 C LYS A 29 3.773 -3.163 5.442 1.00 0.00 C ATOM 436 O LYS A 29 3.280 -4.270 5.456 1.00 0.00 O ATOM 437 CB LYS A 29 6.121 -2.644 4.763 1.00 0.00 C ATOM 438 CG LYS A 29 6.740 -4.044 4.691 1.00 0.00 C ATOM 439 CD LYS A 29 6.268 -4.882 5.881 1.00 0.00 C ATOM 440 CE LYS A 29 6.893 -6.277 5.810 1.00 0.00 C ATOM 441 NZ LYS A 29 8.350 -6.188 6.106 1.00 0.00 N ATOM 0 H LYS A 29 4.981 -0.677 3.679 1.00 0.00 H new ATOM 0 HA LYS A 29 4.584 -3.394 3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.689 -1.952 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.169 -2.267 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.456 -4.529 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.828 -3.971 4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.548 -4.395 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.181 -4.959 5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.407 -6.941 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.738 -6.706 4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.718 -7.136 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.850 -5.805 5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.501 -5.561 6.922 1.00 0.00 H new ATOM 455 N LEU A 30 3.551 -2.309 6.395 1.00 0.00 N ATOM 456 CA LEU A 30 2.676 -2.686 7.545 1.00 0.00 C ATOM 457 C LEU A 30 1.296 -3.068 7.014 1.00 0.00 C ATOM 458 O LEU A 30 0.771 -4.116 7.319 1.00 0.00 O ATOM 459 CB LEU A 30 2.517 -1.510 8.523 1.00 0.00 C ATOM 460 CG LEU A 30 3.677 -0.524 8.387 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.519 0.587 9.429 1.00 0.00 C ATOM 462 CD2 LEU A 30 5.002 -1.256 8.620 1.00 0.00 C ATOM 0 H LEU A 30 3.935 -1.365 6.432 1.00 0.00 H new ATOM 0 HA LEU A 30 3.136 -3.523 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.575 -0.997 8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.472 -1.886 9.545 1.00 0.00 H new ATOM 0 HG LEU A 30 3.674 -0.092 7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.344 1.293 9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.576 1.108 9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.525 0.152 10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.829 -0.552 8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.008 -1.687 9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.113 -2.051 7.882 1.00 0.00 H new ATOM 474 N LEU A 31 0.704 -2.215 6.223 1.00 0.00 N ATOM 475 CA LEU A 31 -0.648 -2.507 5.665 1.00 0.00 C ATOM 476 C LEU A 31 -0.714 -3.948 5.148 1.00 0.00 C ATOM 477 O LEU A 31 -1.643 -4.679 5.430 1.00 0.00 O ATOM 478 CB LEU A 31 -0.923 -1.552 4.502 1.00 0.00 C ATOM 479 CG LEU A 31 -2.343 -0.997 4.615 1.00 0.00 C ATOM 480 CD1 LEU A 31 -2.435 0.328 3.855 1.00 0.00 C ATOM 481 CD2 LEU A 31 -3.329 -2.000 4.013 1.00 0.00 C ATOM 0 H LEU A 31 1.102 -1.321 5.937 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.391 -2.376 6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.201 -0.735 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.801 -2.075 3.553 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.587 -0.831 5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.447 0.724 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.731 1.042 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.192 0.163 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.342 -1.606 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.085 -2.165 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.263 -2.944 4.554 1.00 0.00 H new ATOM 493 N LEU A 32 0.246 -4.348 4.366 1.00 0.00 N ATOM 494 CA LEU A 32 0.241 -5.709 3.794 1.00 0.00 C ATOM 495 C LEU A 32 -0.046 -6.792 4.854 1.00 0.00 C ATOM 496 O LEU A 32 -0.841 -7.682 4.632 1.00 0.00 O ATOM 497 CB LEU A 32 1.606 -5.925 3.135 1.00 0.00 C ATOM 498 CG LEU A 32 2.611 -6.584 4.091 1.00 0.00 C ATOM 499 CD1 LEU A 32 2.331 -8.081 4.197 1.00 0.00 C ATOM 500 CD2 LEU A 32 4.028 -6.376 3.553 1.00 0.00 C ATOM 0 H LEU A 32 1.046 -3.775 4.098 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.563 -5.798 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.486 -6.549 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.001 -4.967 2.798 1.00 0.00 H new ATOM 0 HG LEU A 32 2.515 -6.131 5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.049 -8.538 4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.321 -8.236 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.422 -8.539 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.746 -6.842 4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.112 -6.829 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.237 -5.309 3.482 1.00 0.00 H new ATOM 512 N GLN A 33 0.602 -6.749 5.982 1.00 0.00 N ATOM 513 CA GLN A 33 0.367 -7.807 7.011 1.00 0.00 C ATOM 514 C GLN A 33 -0.891 -7.511 7.830 1.00 0.00 C ATOM 515 O GLN A 33 -1.578 -8.408 8.279 1.00 0.00 O ATOM 516 CB GLN A 33 1.578 -7.889 7.945 1.00 0.00 C ATOM 517 CG GLN A 33 1.783 -6.553 8.665 1.00 0.00 C ATOM 518 CD GLN A 33 2.464 -6.805 10.015 1.00 0.00 C ATOM 519 OE1 GLN A 33 2.079 -7.701 10.742 1.00 0.00 O ATOM 520 NE2 GLN A 33 3.465 -6.051 10.391 1.00 0.00 N ATOM 0 H GLN A 33 1.281 -6.033 6.239 1.00 0.00 H new ATOM 0 HA GLN A 33 0.226 -8.759 6.499 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.430 -8.685 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.471 -8.143 7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.394 -5.888 8.055 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.824 -6.057 8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.792 -5.298 9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.918 -6.216 11.290 1.00 0.00 H new ATOM 529 N THR A 34 -1.183 -6.266 8.046 1.00 0.00 N ATOM 530 CA THR A 34 -2.380 -5.906 8.858 1.00 0.00 C ATOM 531 C THR A 34 -3.651 -6.482 8.232 1.00 0.00 C ATOM 532 O THR A 34 -4.383 -7.213 8.870 1.00 0.00 O ATOM 533 CB THR A 34 -2.499 -4.383 8.944 1.00 0.00 C ATOM 534 OG1 THR A 34 -2.348 -3.822 7.649 1.00 0.00 O ATOM 535 CG2 THR A 34 -1.411 -3.840 9.870 1.00 0.00 C ATOM 0 H THR A 34 -0.644 -5.474 7.695 1.00 0.00 H new ATOM 0 HA THR A 34 -2.262 -6.326 9.857 1.00 0.00 H new ATOM 0 HB THR A 34 -3.478 -4.115 9.341 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.827 -2.968 7.604 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.494 -2.755 9.932 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.531 -4.271 10.864 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.431 -4.106 9.475 1.00 0.00 H new ATOM 543 N GLU A 35 -3.940 -6.152 7.001 1.00 0.00 N ATOM 544 CA GLU A 35 -5.187 -6.681 6.377 1.00 0.00 C ATOM 545 C GLU A 35 -4.990 -6.908 4.873 1.00 0.00 C ATOM 546 O GLU A 35 -5.938 -6.896 4.114 1.00 0.00 O ATOM 547 CB GLU A 35 -6.315 -5.668 6.584 1.00 0.00 C ATOM 548 CG GLU A 35 -5.898 -4.322 5.993 1.00 0.00 C ATOM 549 CD GLU A 35 -7.138 -3.575 5.503 1.00 0.00 C ATOM 550 OE1 GLU A 35 -7.790 -4.075 4.601 1.00 0.00 O ATOM 551 OE2 GLU A 35 -7.416 -2.514 6.038 1.00 0.00 O ATOM 0 H GLU A 35 -3.374 -5.546 6.407 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.436 -7.633 6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.229 -6.021 6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.532 -5.560 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.376 -3.729 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.203 -4.475 5.168 1.00 0.00 H new ATOM 558 N PHE A 36 -3.782 -7.117 4.432 1.00 0.00 N ATOM 559 CA PHE A 36 -3.560 -7.345 2.974 1.00 0.00 C ATOM 560 C PHE A 36 -2.468 -8.398 2.779 1.00 0.00 C ATOM 561 O PHE A 36 -1.359 -8.075 2.400 1.00 0.00 O ATOM 562 CB PHE A 36 -3.123 -6.038 2.308 1.00 0.00 C ATOM 563 CG PHE A 36 -4.318 -5.177 1.948 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.609 -5.722 1.849 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.122 -3.811 1.707 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.692 -4.902 1.514 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.206 -2.993 1.372 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.491 -3.538 1.275 1.00 0.00 C ATOM 0 H PHE A 36 -2.943 -7.140 5.011 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.489 -7.692 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.465 -5.487 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.548 -6.260 1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.766 -6.775 2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.131 -3.388 1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.684 -5.322 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.051 -1.940 1.188 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.328 -2.906 1.016 1.00 0.00 H new ATOM 578 N PRO A 37 -2.817 -9.631 3.037 1.00 0.00 N ATOM 579 CA PRO A 37 -1.886 -10.769 2.892 1.00 0.00 C ATOM 580 C PRO A 37 -1.657 -11.073 1.417 1.00 0.00 C ATOM 581 O PRO A 37 -0.544 -11.098 0.934 1.00 0.00 O ATOM 582 CB PRO A 37 -2.640 -11.945 3.508 1.00 0.00 C ATOM 583 CG PRO A 37 -4.129 -11.549 3.487 1.00 0.00 C ATOM 584 CD PRO A 37 -4.171 -10.011 3.496 1.00 0.00 C ATOM 0 HA PRO A 37 -0.919 -10.571 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.471 -12.859 2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.301 -12.136 4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.624 -11.946 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.651 -11.957 4.353 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.944 -9.626 2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.383 -9.620 4.491 1.00 0.00 H new ATOM 592 N SER A 38 -2.718 -11.350 0.714 1.00 0.00 N ATOM 593 CA SER A 38 -2.603 -11.700 -0.712 1.00 0.00 C ATOM 594 C SER A 38 -1.643 -10.737 -1.425 1.00 0.00 C ATOM 595 O SER A 38 -0.986 -11.100 -2.380 1.00 0.00 O ATOM 596 CB SER A 38 -3.984 -11.624 -1.365 1.00 0.00 C ATOM 597 OG SER A 38 -4.916 -12.353 -0.576 1.00 0.00 O ATOM 0 H SER A 38 -3.670 -11.346 1.080 1.00 0.00 H new ATOM 0 HA SER A 38 -2.209 -12.713 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.300 -10.585 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.945 -12.034 -2.374 1.00 0.00 H new ATOM 0 HG SER A 38 -5.803 -12.305 -0.990 1.00 0.00 H new ATOM 603 N LEU A 39 -1.568 -9.508 -0.978 1.00 0.00 N ATOM 604 CA LEU A 39 -0.666 -8.519 -1.642 1.00 0.00 C ATOM 605 C LEU A 39 0.737 -9.111 -1.836 1.00 0.00 C ATOM 606 O LEU A 39 1.324 -8.992 -2.893 1.00 0.00 O ATOM 607 CB LEU A 39 -0.581 -7.254 -0.783 1.00 0.00 C ATOM 608 CG LEU A 39 -1.302 -6.109 -1.492 1.00 0.00 C ATOM 609 CD1 LEU A 39 -1.445 -4.924 -0.538 1.00 0.00 C ATOM 610 CD2 LEU A 39 -0.488 -5.682 -2.715 1.00 0.00 C ATOM 0 H LEU A 39 -2.093 -9.147 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.074 -8.272 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.032 -7.433 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.462 -6.989 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.292 -6.441 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.960 -4.108 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.021 -5.228 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.457 -4.589 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.999 -4.865 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.500 -5.350 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.385 -6.526 -3.396 1.00 0.00 H new ATOM 622 N LEU A 40 1.278 -9.755 -0.836 1.00 0.00 N ATOM 623 CA LEU A 40 2.645 -10.357 -0.993 1.00 0.00 C ATOM 624 C LEU A 40 2.650 -11.812 -0.522 1.00 0.00 C ATOM 625 O LEU A 40 3.684 -12.372 -0.216 1.00 0.00 O ATOM 626 CB LEU A 40 3.705 -9.581 -0.194 1.00 0.00 C ATOM 627 CG LEU A 40 3.104 -8.846 1.013 1.00 0.00 C ATOM 628 CD1 LEU A 40 2.319 -7.629 0.539 1.00 0.00 C ATOM 629 CD2 LEU A 40 2.188 -9.763 1.830 1.00 0.00 C ATOM 0 H LEU A 40 0.842 -9.892 0.076 1.00 0.00 H new ATOM 0 HA LEU A 40 2.892 -10.305 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.474 -10.272 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.194 -8.860 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 40 3.926 -8.529 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.895 -7.112 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.984 -6.954 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.515 -7.950 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.780 -9.210 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.372 -10.116 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.760 -10.616 2.196 1.00 0.00 H new ATOM 641 N LYS A 41 1.507 -12.427 -0.457 1.00 0.00 N ATOM 642 CA LYS A 41 1.448 -13.842 -0.002 1.00 0.00 C ATOM 643 C LYS A 41 1.608 -14.773 -1.205 1.00 0.00 C ATOM 644 O LYS A 41 1.149 -15.897 -1.197 1.00 0.00 O ATOM 645 CB LYS A 41 0.098 -14.103 0.668 1.00 0.00 C ATOM 646 CG LYS A 41 0.242 -15.242 1.682 1.00 0.00 C ATOM 647 CD LYS A 41 -0.339 -14.805 3.028 1.00 0.00 C ATOM 648 CE LYS A 41 -0.842 -16.032 3.791 1.00 0.00 C ATOM 649 NZ LYS A 41 -0.172 -16.101 5.120 1.00 0.00 N ATOM 0 H LYS A 41 0.608 -12.011 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 41 2.252 -14.029 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.253 -13.200 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.648 -14.363 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.276 -16.131 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.292 -15.510 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.421 -14.287 3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.156 -14.101 2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.923 -15.975 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.636 -16.938 3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.514 -16.935 5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.857 -16.174 4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.390 -15.242 5.664 1.00 0.00 H new ATOM 663 N GLY A 42 2.257 -14.314 -2.240 1.00 0.00 N ATOM 664 CA GLY A 42 2.444 -15.175 -3.441 1.00 0.00 C ATOM 665 C GLY A 42 3.867 -14.998 -3.978 1.00 0.00 C ATOM 666 O GLY A 42 4.570 -15.956 -4.229 1.00 0.00 O ATOM 0 H GLY A 42 2.665 -13.381 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.268 -16.220 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.718 -14.909 -4.209 1.00 0.00 H new ATOM 670 N MET A 43 4.295 -13.776 -4.156 1.00 0.00 N ATOM 671 CA MET A 43 5.671 -13.531 -4.676 1.00 0.00 C ATOM 672 C MET A 43 6.563 -13.018 -3.540 1.00 0.00 C ATOM 673 O MET A 43 6.415 -13.413 -2.399 1.00 0.00 O ATOM 674 CB MET A 43 5.609 -12.485 -5.792 1.00 0.00 C ATOM 675 CG MET A 43 6.602 -12.855 -6.896 1.00 0.00 C ATOM 676 SD MET A 43 7.326 -11.349 -7.589 1.00 0.00 S ATOM 677 CE MET A 43 6.535 -11.445 -9.214 1.00 0.00 C ATOM 0 H MET A 43 3.749 -12.936 -3.963 1.00 0.00 H new ATOM 0 HA MET A 43 6.086 -14.460 -5.068 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.599 -12.432 -6.199 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.844 -11.498 -5.393 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.386 -13.496 -6.494 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.097 -13.422 -7.678 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.847 -10.595 -9.821 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.829 -12.371 -9.708 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.452 -11.426 -9.093 1.00 0.00 H new ATOM 687 N SER A 44 7.485 -12.139 -3.836 1.00 0.00 N ATOM 688 CA SER A 44 8.375 -11.605 -2.765 1.00 0.00 C ATOM 689 C SER A 44 7.849 -10.243 -2.310 1.00 0.00 C ATOM 690 O SER A 44 6.841 -9.767 -2.794 1.00 0.00 O ATOM 691 CB SER A 44 9.797 -11.452 -3.311 1.00 0.00 C ATOM 692 OG SER A 44 9.971 -10.131 -3.805 1.00 0.00 O ATOM 0 H SER A 44 7.659 -11.769 -4.771 1.00 0.00 H new ATOM 0 HA SER A 44 8.388 -12.293 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.524 -11.658 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.973 -12.176 -4.106 1.00 0.00 H new ATOM 0 HG SER A 44 10.881 -10.029 -4.154 1.00 0.00 H new ATOM 698 N THR A 45 8.511 -9.612 -1.378 1.00 0.00 N ATOM 699 CA THR A 45 8.026 -8.288 -0.898 1.00 0.00 C ATOM 700 C THR A 45 9.191 -7.296 -0.806 1.00 0.00 C ATOM 701 O THR A 45 9.878 -7.056 -1.777 1.00 0.00 O ATOM 702 CB THR A 45 7.344 -8.470 0.452 1.00 0.00 C ATOM 703 OG1 THR A 45 6.908 -7.213 0.962 1.00 0.00 O ATOM 704 CG2 THR A 45 8.304 -9.137 1.438 1.00 0.00 C ATOM 0 H THR A 45 9.362 -9.954 -0.931 1.00 0.00 H new ATOM 0 HA THR A 45 7.304 -7.879 -1.604 1.00 0.00 H new ATOM 0 HB THR A 45 6.472 -9.111 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.071 -7.177 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.808 -9.263 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.602 -10.112 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.188 -8.512 1.565 1.00 0.00 H new ATOM 712 N LEU A 46 9.427 -6.717 0.338 1.00 0.00 N ATOM 713 CA LEU A 46 10.550 -5.744 0.454 1.00 0.00 C ATOM 714 C LEU A 46 10.438 -4.626 -0.610 1.00 0.00 C ATOM 715 O LEU A 46 9.747 -3.646 -0.418 1.00 0.00 O ATOM 716 CB LEU A 46 11.881 -6.481 0.287 1.00 0.00 C ATOM 717 CG LEU A 46 12.454 -6.811 1.668 1.00 0.00 C ATOM 718 CD1 LEU A 46 12.634 -8.324 1.802 1.00 0.00 C ATOM 719 CD2 LEU A 46 13.812 -6.126 1.832 1.00 0.00 C ATOM 0 H LEU A 46 8.894 -6.874 1.194 1.00 0.00 H new ATOM 0 HA LEU A 46 10.501 -5.280 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.734 -7.396 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.584 -5.864 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 46 11.768 -6.457 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.042 -8.556 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.669 -8.817 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.319 -8.678 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.221 -6.360 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.495 -6.482 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.689 -5.047 1.738 1.00 0.00 H new ATOM 731 N ASP A 47 11.138 -4.755 -1.714 1.00 0.00 N ATOM 732 CA ASP A 47 11.110 -3.697 -2.782 1.00 0.00 C ATOM 733 C ASP A 47 9.956 -3.912 -3.753 1.00 0.00 C ATOM 734 O ASP A 47 9.887 -3.299 -4.793 1.00 0.00 O ATOM 735 CB ASP A 47 12.407 -3.766 -3.569 1.00 0.00 C ATOM 736 CG ASP A 47 13.354 -2.655 -3.115 1.00 0.00 C ATOM 737 OD1 ASP A 47 13.057 -1.503 -3.384 1.00 0.00 O ATOM 738 OD2 ASP A 47 14.363 -2.975 -2.508 1.00 0.00 O ATOM 0 H ASP A 47 11.734 -5.556 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 47 10.985 -2.729 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.878 -4.738 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.201 -3.667 -4.635 1.00 0.00 H new ATOM 743 N GLU A 48 9.110 -4.820 -3.441 1.00 0.00 N ATOM 744 CA GLU A 48 7.993 -5.188 -4.306 1.00 0.00 C ATOM 745 C GLU A 48 6.757 -4.380 -3.956 1.00 0.00 C ATOM 746 O GLU A 48 6.017 -3.985 -4.816 1.00 0.00 O ATOM 747 CB GLU A 48 7.762 -6.669 -4.069 1.00 0.00 C ATOM 748 CG GLU A 48 7.946 -7.431 -5.375 1.00 0.00 C ATOM 749 CD GLU A 48 6.599 -7.562 -6.086 1.00 0.00 C ATOM 750 OE1 GLU A 48 5.654 -6.930 -5.643 1.00 0.00 O ATOM 751 OE2 GLU A 48 6.533 -8.295 -7.060 1.00 0.00 O ATOM 0 H GLU A 48 9.152 -5.351 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 48 8.209 -4.983 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.460 -7.040 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.757 -6.833 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.657 -6.909 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.361 -8.419 -5.176 1.00 0.00 H new ATOM 758 N LEU A 49 6.545 -4.114 -2.710 1.00 0.00 N ATOM 759 CA LEU A 49 5.365 -3.293 -2.317 1.00 0.00 C ATOM 760 C LEU A 49 5.686 -1.856 -2.701 1.00 0.00 C ATOM 761 O LEU A 49 4.820 -1.069 -3.028 1.00 0.00 O ATOM 762 CB LEU A 49 5.106 -3.363 -0.805 1.00 0.00 C ATOM 763 CG LEU A 49 5.833 -4.553 -0.183 1.00 0.00 C ATOM 764 CD1 LEU A 49 5.369 -4.725 1.265 1.00 0.00 C ATOM 765 CD2 LEU A 49 5.506 -5.820 -0.978 1.00 0.00 C ATOM 0 H LEU A 49 7.134 -4.427 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 49 4.472 -3.665 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.440 -2.440 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.035 -3.448 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 49 6.909 -4.379 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.885 -5.574 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.597 -3.821 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.294 -4.903 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.024 -6.671 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.431 -5.997 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.830 -5.695 -2.011 1.00 0.00 H new ATOM 777 N PHE A 50 6.946 -1.522 -2.680 1.00 0.00 N ATOM 778 CA PHE A 50 7.365 -0.153 -3.068 1.00 0.00 C ATOM 779 C PHE A 50 7.437 -0.097 -4.583 1.00 0.00 C ATOM 780 O PHE A 50 6.815 0.731 -5.219 1.00 0.00 O ATOM 781 CB PHE A 50 8.735 0.118 -2.463 1.00 0.00 C ATOM 782 CG PHE A 50 8.837 1.554 -2.006 1.00 0.00 C ATOM 783 CD1 PHE A 50 7.999 2.533 -2.553 1.00 0.00 C ATOM 784 CD2 PHE A 50 9.770 1.901 -1.021 1.00 0.00 C ATOM 785 CE1 PHE A 50 8.095 3.859 -2.112 1.00 0.00 C ATOM 786 CE2 PHE A 50 9.867 3.224 -0.583 1.00 0.00 C ATOM 787 CZ PHE A 50 9.030 4.203 -1.127 1.00 0.00 C ATOM 0 H PHE A 50 7.706 -2.145 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 50 6.660 0.597 -2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.905 -0.551 -1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.512 -0.092 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.280 2.266 -3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.415 1.145 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.449 4.616 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.588 3.490 0.175 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.104 5.226 -0.787 1.00 0.00 H new ATOM 797 N GLU A 51 8.160 -1.002 -5.170 1.00 0.00 N ATOM 798 CA GLU A 51 8.235 -1.032 -6.652 1.00 0.00 C ATOM 799 C GLU A 51 6.838 -1.377 -7.158 1.00 0.00 C ATOM 800 O GLU A 51 6.461 -1.061 -8.268 1.00 0.00 O ATOM 801 CB GLU A 51 9.241 -2.097 -7.108 1.00 0.00 C ATOM 802 CG GLU A 51 8.626 -3.492 -6.959 1.00 0.00 C ATOM 803 CD GLU A 51 8.079 -3.956 -8.310 1.00 0.00 C ATOM 804 OE1 GLU A 51 8.563 -3.473 -9.320 1.00 0.00 O ATOM 805 OE2 GLU A 51 7.184 -4.785 -8.312 1.00 0.00 O ATOM 0 H GLU A 51 8.701 -1.721 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 51 8.567 -0.071 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.522 -1.923 -8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.153 -2.027 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.377 -4.195 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.826 -3.471 -6.219 1.00 0.00 H new ATOM 812 N GLU A 52 6.066 -2.019 -6.321 1.00 0.00 N ATOM 813 CA GLU A 52 4.673 -2.393 -6.704 1.00 0.00 C ATOM 814 C GLU A 52 4.040 -1.235 -7.473 1.00 0.00 C ATOM 815 O GLU A 52 3.315 -1.440 -8.426 1.00 0.00 O ATOM 816 CB GLU A 52 3.849 -2.669 -5.445 1.00 0.00 C ATOM 817 CG GLU A 52 3.583 -4.171 -5.305 1.00 0.00 C ATOM 818 CD GLU A 52 2.239 -4.519 -5.948 1.00 0.00 C ATOM 819 OE1 GLU A 52 1.415 -3.629 -6.070 1.00 0.00 O ATOM 820 OE2 GLU A 52 2.059 -5.671 -6.307 1.00 0.00 O ATOM 0 H GLU A 52 6.343 -2.302 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 52 4.694 -3.288 -7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.380 -2.303 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.904 -2.128 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.383 -4.738 -5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.577 -4.452 -4.252 1.00 0.00 H new ATOM 827 N LEU A 53 4.330 -0.017 -7.096 1.00 0.00 N ATOM 828 CA LEU A 53 3.778 1.120 -7.825 1.00 0.00 C ATOM 829 C LEU A 53 4.882 1.591 -8.738 1.00 0.00 C ATOM 830 O LEU A 53 4.650 2.113 -9.811 1.00 0.00 O ATOM 831 CB LEU A 53 3.415 2.226 -6.836 1.00 0.00 C ATOM 832 CG LEU A 53 1.931 2.145 -6.481 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.110 2.013 -7.759 1.00 0.00 C ATOM 834 CD2 LEU A 53 1.687 0.924 -5.592 1.00 0.00 C ATOM 0 H LEU A 53 4.931 0.222 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 53 2.880 0.855 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.019 2.130 -5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.641 3.201 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 53 1.634 3.049 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.051 1.955 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.285 2.881 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.406 1.108 -8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.629 0.865 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.983 0.021 -6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.275 1.016 -4.679 1.00 0.00 H new ATOM 846 N ASP A 54 6.107 1.375 -8.319 1.00 0.00 N ATOM 847 CA ASP A 54 7.253 1.770 -9.153 1.00 0.00 C ATOM 848 C ASP A 54 6.992 3.148 -9.723 1.00 0.00 C ATOM 849 O ASP A 54 7.485 3.525 -10.765 1.00 0.00 O ATOM 850 CB ASP A 54 7.270 0.762 -10.235 1.00 0.00 C ATOM 851 CG ASP A 54 8.240 1.159 -11.350 1.00 0.00 C ATOM 852 OD1 ASP A 54 9.198 1.855 -11.057 1.00 0.00 O ATOM 853 OD2 ASP A 54 8.009 0.758 -12.479 1.00 0.00 O ATOM 0 H ASP A 54 6.349 0.939 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 54 8.197 1.810 -8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.558 -0.207 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.267 0.650 -10.646 1.00 0.00 H new ATOM 858 N LYS A 55 6.179 3.868 -9.035 1.00 0.00 N ATOM 859 CA LYS A 55 5.783 5.225 -9.448 1.00 0.00 C ATOM 860 C LYS A 55 7.011 6.101 -9.753 1.00 0.00 C ATOM 861 O LYS A 55 7.971 5.666 -10.353 1.00 0.00 O ATOM 862 CB LYS A 55 4.978 5.812 -8.299 1.00 0.00 C ATOM 863 CG LYS A 55 5.886 6.055 -7.091 1.00 0.00 C ATOM 864 CD LYS A 55 5.297 7.172 -6.228 1.00 0.00 C ATOM 865 CE LYS A 55 6.063 8.474 -6.475 1.00 0.00 C ATOM 866 NZ LYS A 55 5.126 9.516 -6.979 1.00 0.00 N ATOM 0 H LYS A 55 5.752 3.558 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 55 5.195 5.188 -10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.515 6.749 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.171 5.133 -8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.983 5.141 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.887 6.328 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.242 7.309 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.355 6.899 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.535 8.811 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.861 8.307 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.653 10.390 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.670 9.180 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.400 9.707 -6.260 1.00 0.00 H new ATOM 880 N ASN A 56 6.987 7.345 -9.358 1.00 0.00 N ATOM 881 CA ASN A 56 8.148 8.237 -9.647 1.00 0.00 C ATOM 882 C ASN A 56 9.186 8.101 -8.536 1.00 0.00 C ATOM 883 O ASN A 56 9.949 9.011 -8.277 1.00 0.00 O ATOM 884 CB ASN A 56 7.689 9.699 -9.721 1.00 0.00 C ATOM 885 CG ASN A 56 6.175 9.778 -9.982 1.00 0.00 C ATOM 886 OD1 ASN A 56 5.606 8.890 -10.587 1.00 0.00 O ATOM 887 ND2 ASN A 56 5.496 10.814 -9.558 1.00 0.00 N ATOM 0 H ASN A 56 6.218 7.781 -8.850 1.00 0.00 H new ATOM 0 HA ASN A 56 8.583 7.946 -10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.930 10.209 -8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.228 10.215 -10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.493 10.874 -9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.970 11.561 -9.050 1.00 0.00 H new ATOM 894 N GLY A 57 9.223 6.977 -7.873 1.00 0.00 N ATOM 895 CA GLY A 57 10.211 6.795 -6.778 1.00 0.00 C ATOM 896 C GLY A 57 10.256 8.062 -5.927 1.00 0.00 C ATOM 897 O GLY A 57 11.304 8.494 -5.489 1.00 0.00 O ATOM 0 H GLY A 57 8.611 6.179 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.936 5.939 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.197 6.586 -7.193 1.00 0.00 H new ATOM 901 N ASP A 58 9.122 8.666 -5.691 1.00 0.00 N ATOM 902 CA ASP A 58 9.103 9.905 -4.868 1.00 0.00 C ATOM 903 C ASP A 58 8.992 9.524 -3.391 1.00 0.00 C ATOM 904 O ASP A 58 8.722 10.352 -2.544 1.00 0.00 O ATOM 905 CB ASP A 58 7.930 10.814 -5.274 1.00 0.00 C ATOM 906 CG ASP A 58 8.162 12.219 -4.709 1.00 0.00 C ATOM 907 OD1 ASP A 58 7.867 12.425 -3.543 1.00 0.00 O ATOM 908 OD2 ASP A 58 8.633 13.063 -5.454 1.00 0.00 O ATOM 0 H ASP A 58 8.212 8.355 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 58 10.028 10.457 -5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.845 10.855 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.992 10.408 -4.896 1.00 0.00 H new ATOM 913 N GLY A 59 9.224 8.276 -3.072 1.00 0.00 N ATOM 914 CA GLY A 59 9.161 7.838 -1.651 1.00 0.00 C ATOM 915 C GLY A 59 7.735 7.944 -1.101 1.00 0.00 C ATOM 916 O GLY A 59 7.544 8.167 0.079 1.00 0.00 O ATOM 0 H GLY A 59 9.455 7.541 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.509 6.808 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.832 8.450 -1.049 1.00 0.00 H new ATOM 920 N GLU A 60 6.726 7.789 -1.921 1.00 0.00 N ATOM 921 CA GLU A 60 5.335 7.896 -1.368 1.00 0.00 C ATOM 922 C GLU A 60 4.289 7.235 -2.274 1.00 0.00 C ATOM 923 O GLU A 60 4.281 7.416 -3.475 1.00 0.00 O ATOM 924 CB GLU A 60 4.964 9.370 -1.201 1.00 0.00 C ATOM 925 CG GLU A 60 5.409 10.165 -2.432 1.00 0.00 C ATOM 926 CD GLU A 60 4.259 10.232 -3.439 1.00 0.00 C ATOM 927 OE1 GLU A 60 3.261 9.567 -3.215 1.00 0.00 O ATOM 928 OE2 GLU A 60 4.395 10.949 -4.418 1.00 0.00 O ATOM 0 H GLU A 60 6.796 7.599 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 60 5.333 7.376 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.887 9.469 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.438 9.774 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.709 11.171 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.279 9.693 -2.888 1.00 0.00 H new ATOM 935 N VAL A 61 3.377 6.501 -1.681 1.00 0.00 N ATOM 936 CA VAL A 61 2.291 5.854 -2.462 1.00 0.00 C ATOM 937 C VAL A 61 0.958 6.291 -1.870 1.00 0.00 C ATOM 938 O VAL A 61 0.449 5.711 -0.932 1.00 0.00 O ATOM 939 CB VAL A 61 2.423 4.352 -2.375 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.622 3.706 -3.504 1.00 0.00 C ATOM 941 CG2 VAL A 61 3.895 4.002 -2.518 1.00 0.00 C ATOM 0 H VAL A 61 3.344 6.325 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 61 2.353 6.147 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 61 2.041 3.987 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.716 2.622 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.572 3.985 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.005 4.050 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.019 2.921 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.262 4.357 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.461 4.477 -1.717 1.00 0.00 H new ATOM 951 N SER A 62 0.410 7.324 -2.413 1.00 0.00 N ATOM 952 CA SER A 62 -0.889 7.859 -1.906 1.00 0.00 C ATOM 953 C SER A 62 -1.969 6.802 -2.051 1.00 0.00 C ATOM 954 O SER A 62 -1.691 5.629 -2.150 1.00 0.00 O ATOM 955 CB SER A 62 -1.271 9.103 -2.713 1.00 0.00 C ATOM 956 OG SER A 62 -2.235 8.751 -3.697 1.00 0.00 O ATOM 0 H SER A 62 0.805 7.837 -3.201 1.00 0.00 H new ATOM 0 HA SER A 62 -0.789 8.124 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.674 9.869 -2.051 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.387 9.526 -3.190 1.00 0.00 H new ATOM 0 HG SER A 62 -2.481 9.547 -4.213 1.00 0.00 H new ATOM 962 N PHE A 63 -3.199 7.221 -2.069 1.00 0.00 N ATOM 963 CA PHE A 63 -4.325 6.266 -2.214 1.00 0.00 C ATOM 964 C PHE A 63 -4.407 5.804 -3.669 1.00 0.00 C ATOM 965 O PHE A 63 -4.056 4.701 -3.987 1.00 0.00 O ATOM 966 CB PHE A 63 -5.618 6.982 -1.846 1.00 0.00 C ATOM 967 CG PHE A 63 -6.666 5.937 -1.879 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.465 4.780 -1.140 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.777 6.075 -2.698 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.379 3.746 -1.207 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.694 5.037 -2.788 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.502 3.861 -2.042 1.00 0.00 C ATOM 0 H PHE A 63 -3.475 8.199 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.173 5.404 -1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.548 7.438 -0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.839 7.783 -2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.592 4.687 -0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.927 6.984 -3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.230 2.852 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.556 5.133 -3.432 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.214 3.051 -2.111 1.00 0.00 H new ATOM 982 N GLU A 64 -4.853 6.632 -4.554 1.00 0.00 N ATOM 983 CA GLU A 64 -4.968 6.203 -5.994 1.00 0.00 C ATOM 984 C GLU A 64 -3.754 5.368 -6.425 1.00 0.00 C ATOM 985 O GLU A 64 -3.884 4.434 -7.190 1.00 0.00 O ATOM 986 CB GLU A 64 -5.092 7.436 -6.884 1.00 0.00 C ATOM 987 CG GLU A 64 -6.557 7.617 -7.282 1.00 0.00 C ATOM 988 CD GLU A 64 -6.646 7.899 -8.783 1.00 0.00 C ATOM 989 OE1 GLU A 64 -5.982 7.206 -9.536 1.00 0.00 O ATOM 990 OE2 GLU A 64 -7.377 8.802 -9.155 1.00 0.00 O ATOM 0 H GLU A 64 -5.147 7.589 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.858 5.582 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.733 8.319 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.472 7.323 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.126 6.720 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.999 8.440 -6.720 1.00 0.00 H new ATOM 997 N GLU A 65 -2.582 5.670 -5.952 1.00 0.00 N ATOM 998 CA GLU A 65 -1.408 4.846 -6.355 1.00 0.00 C ATOM 999 C GLU A 65 -1.451 3.532 -5.571 1.00 0.00 C ATOM 1000 O GLU A 65 -1.158 2.470 -6.083 1.00 0.00 O ATOM 1001 CB GLU A 65 -0.115 5.598 -6.029 1.00 0.00 C ATOM 1002 CG GLU A 65 0.011 6.816 -6.944 1.00 0.00 C ATOM 1003 CD GLU A 65 0.634 6.390 -8.274 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -0.104 5.928 -9.128 1.00 0.00 O ATOM 1005 OE2 GLU A 65 1.837 6.533 -8.415 1.00 0.00 O ATOM 0 H GLU A 65 -2.384 6.440 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.439 4.646 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.118 5.913 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.744 4.940 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.970 7.259 -7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.627 7.579 -6.469 1.00 0.00 H new ATOM 1012 N PHE A 66 -1.805 3.620 -4.321 1.00 0.00 N ATOM 1013 CA PHE A 66 -1.870 2.424 -3.442 1.00 0.00 C ATOM 1014 C PHE A 66 -3.034 1.477 -3.778 1.00 0.00 C ATOM 1015 O PHE A 66 -2.872 0.289 -3.836 1.00 0.00 O ATOM 1016 CB PHE A 66 -2.113 2.906 -1.995 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.015 1.884 -1.375 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -2.501 0.662 -0.970 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -4.395 2.100 -1.404 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -3.371 -0.350 -0.604 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -5.257 1.107 -1.017 1.00 0.00 C ATOM 1022 CZ PHE A 66 -4.747 -0.119 -0.630 1.00 0.00 C ATOM 0 H PHE A 66 -2.058 4.495 -3.861 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.933 1.884 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.175 2.985 -1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.574 3.894 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.433 0.502 -0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.784 3.053 -1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.987 -1.313 -0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.323 1.280 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.424 -0.910 -0.343 1.00 0.00 H new ATOM 1032 N GLN A 67 -4.221 1.989 -3.784 1.00 0.00 N ATOM 1033 CA GLN A 67 -5.428 1.122 -3.874 1.00 0.00 C ATOM 1034 C GLN A 67 -5.528 0.297 -5.144 1.00 0.00 C ATOM 1035 O GLN A 67 -6.516 -0.365 -5.368 1.00 0.00 O ATOM 1036 CB GLN A 67 -6.689 1.941 -3.584 1.00 0.00 C ATOM 1037 CG GLN A 67 -6.647 3.265 -4.334 1.00 0.00 C ATOM 1038 CD GLN A 67 -6.589 2.937 -5.780 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -5.887 3.546 -6.554 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -7.330 1.980 -6.171 1.00 0.00 N ATOM 0 H GLN A 67 -4.416 2.989 -3.730 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.324 0.364 -3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.573 1.376 -3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.772 2.125 -2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.529 3.865 -4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.778 3.851 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.914 1.480 -5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.340 1.712 -7.155 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.493 0.217 -5.917 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.551 -0.704 -7.068 1.00 0.00 C ATOM 1051 C VAL A 68 -4.173 -2.099 -6.529 1.00 0.00 C ATOM 1052 O VAL A 68 -4.024 -3.053 -7.268 1.00 0.00 O ATOM 1053 CB VAL A 68 -3.573 -0.270 -8.165 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -2.162 -0.165 -7.584 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.585 -1.308 -9.291 1.00 0.00 C ATOM 0 H VAL A 68 -3.624 0.740 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.546 -0.707 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.874 0.701 -8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.468 0.144 -8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.153 0.571 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.857 -1.135 -7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.891 -1.003 -10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.283 -2.278 -8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.590 -1.383 -9.706 1.00 0.00 H new ATOM 1065 N LEU A 69 -4.042 -2.209 -5.217 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.706 -3.506 -4.562 1.00 0.00 C ATOM 1067 C LEU A 69 -4.991 -4.048 -4.004 1.00 0.00 C ATOM 1068 O LEU A 69 -5.297 -5.221 -4.067 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.771 -3.287 -3.375 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.845 -2.166 -3.728 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.258 -1.543 -2.465 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.715 -2.672 -4.628 1.00 0.00 C ATOM 0 H LEU A 69 -4.159 -1.430 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.230 -4.169 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.341 -3.044 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.208 -4.195 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.414 -1.408 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.587 -0.729 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.064 -1.155 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.703 -2.300 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.050 -1.845 -4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.153 -3.446 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.137 -3.086 -5.544 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.738 -3.149 -3.444 1.00 0.00 N ATOM 1085 CA VAL A 70 -7.040 -3.518 -2.844 1.00 0.00 C ATOM 1086 C VAL A 70 -7.904 -4.112 -3.953 1.00 0.00 C ATOM 1087 O VAL A 70 -8.683 -5.019 -3.735 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.684 -2.268 -2.234 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -8.165 -1.336 -3.340 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -8.864 -2.671 -1.353 1.00 0.00 C ATOM 0 H VAL A 70 -5.498 -2.160 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.924 -4.252 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.942 -1.749 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.621 -0.451 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.318 -1.037 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.900 -1.853 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.318 -1.779 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.603 -3.200 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.514 -3.323 -0.552 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.726 -3.636 -5.157 1.00 0.00 N ATOM 1101 CA LYS A 71 -8.484 -4.203 -6.304 1.00 0.00 C ATOM 1102 C LYS A 71 -7.745 -5.460 -6.754 1.00 0.00 C ATOM 1103 O LYS A 71 -8.340 -6.448 -7.140 1.00 0.00 O ATOM 1104 CB LYS A 71 -8.544 -3.205 -7.470 1.00 0.00 C ATOM 1105 CG LYS A 71 -8.196 -1.798 -6.984 1.00 0.00 C ATOM 1106 CD LYS A 71 -8.522 -0.784 -8.080 1.00 0.00 C ATOM 1107 CE LYS A 71 -7.722 -1.125 -9.338 1.00 0.00 C ATOM 1108 NZ LYS A 71 -8.254 -0.346 -10.491 1.00 0.00 N ATOM 0 H LYS A 71 -7.086 -2.877 -5.393 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.507 -4.425 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.849 -3.509 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.541 -3.209 -7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.758 -1.565 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.139 -1.742 -6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.590 -0.799 -8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.279 0.224 -7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.668 -0.894 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.788 -2.193 -9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.710 -0.578 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.255 -0.587 -10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.169 0.671 -10.292 1.00 0.00 H new ATOM 1122 N LYS A 72 -6.436 -5.425 -6.698 1.00 0.00 N ATOM 1123 CA LYS A 72 -5.635 -6.608 -7.110 1.00 0.00 C ATOM 1124 C LYS A 72 -5.632 -7.638 -5.977 1.00 0.00 C ATOM 1125 O LYS A 72 -5.037 -8.691 -6.086 1.00 0.00 O ATOM 1126 CB LYS A 72 -4.201 -6.162 -7.404 1.00 0.00 C ATOM 1127 CG LYS A 72 -3.497 -7.212 -8.263 1.00 0.00 C ATOM 1128 CD LYS A 72 -2.536 -6.515 -9.227 1.00 0.00 C ATOM 1129 CE LYS A 72 -1.360 -5.932 -8.443 1.00 0.00 C ATOM 1130 NZ LYS A 72 -0.083 -6.458 -9.003 1.00 0.00 N ATOM 0 H LYS A 72 -5.891 -4.623 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.069 -7.057 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.208 -5.202 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.657 -6.018 -6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.951 -7.911 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.231 -7.794 -8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.174 -7.223 -9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.056 -5.723 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.374 -4.844 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.444 -6.197 -7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.718 -6.063 -8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.071 -7.495 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.004 -6.184 -10.003 1.00 0.00 H new ATOM 1144 N ILE A 73 -6.291 -7.341 -4.887 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.326 -8.296 -3.752 1.00 0.00 C ATOM 1146 C ILE A 73 -7.560 -9.188 -3.867 1.00 0.00 C ATOM 1147 O ILE A 73 -7.698 -10.171 -3.167 1.00 0.00 O ATOM 1148 CB ILE A 73 -6.370 -7.512 -2.436 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.962 -7.027 -2.080 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -6.900 -8.407 -1.311 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.063 -5.748 -1.245 1.00 0.00 C ATOM 0 H ILE A 73 -6.807 -6.474 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.434 -8.922 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.033 -6.655 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.430 -7.798 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.390 -6.838 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.928 -7.842 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.905 -8.747 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.244 -9.270 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.062 -5.400 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.579 -4.979 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.620 -5.953 -0.331 1.00 0.00 H new ATOM 1163 N SER A 74 -8.442 -8.836 -4.749 1.00 0.00 N ATOM 1164 CA SER A 74 -9.695 -9.621 -4.958 1.00 0.00 C ATOM 1165 C SER A 74 -10.150 -10.277 -3.651 1.00 0.00 C ATOM 1166 O SER A 74 -9.972 -11.461 -3.450 1.00 0.00 O ATOM 1167 CB SER A 74 -9.450 -10.703 -6.009 1.00 0.00 C ATOM 1168 OG SER A 74 -10.546 -10.732 -6.914 1.00 0.00 O ATOM 0 H SER A 74 -8.351 -8.018 -5.352 1.00 0.00 H new ATOM 0 HA SER A 74 -10.476 -8.941 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.524 -10.501 -6.547 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.334 -11.674 -5.528 1.00 0.00 H new ATOM 0 HG SER A 74 -10.393 -11.423 -7.591 1.00 0.00 H new ATOM 1174 N GLN A 75 -10.741 -9.519 -2.766 1.00 0.00 N ATOM 1175 CA GLN A 75 -11.209 -10.116 -1.479 1.00 0.00 C ATOM 1176 C GLN A 75 -11.911 -11.443 -1.775 1.00 0.00 C ATOM 1177 O GLN A 75 -12.256 -11.733 -2.903 1.00 0.00 O ATOM 1178 CB GLN A 75 -12.192 -9.170 -0.777 1.00 0.00 C ATOM 1179 CG GLN A 75 -11.415 -8.130 0.037 1.00 0.00 C ATOM 1180 CD GLN A 75 -11.489 -8.486 1.523 1.00 0.00 C ATOM 1181 OE1 GLN A 75 -10.668 -9.229 2.024 1.00 0.00 O ATOM 1182 NE2 GLN A 75 -12.444 -7.982 2.254 1.00 0.00 N ATOM 1183 OXT GLN A 75 -12.126 -12.252 -0.774 1.00 0.00 O ATOM 0 H GLN A 75 -10.919 -8.521 -2.876 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.351 -10.279 -0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.822 -8.672 -1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.854 -9.738 -0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.375 -8.100 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.831 -7.136 -0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.133 -7.358 1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.502 -8.211 3.246 1.00 0.00 H new TER 1192 GLN A 75