USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 646 hydrogens (35 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 64 LYS NZ :NH3+ -153:sc= 1.85 (180deg=0.801) USER MOD Set 1.2: A 65 ASN : amide:sc= 0.623! K(o=2.5!,f=-6.1) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.167 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc=4.96e-05 USER MOD Single : A 4 GLN : amide:sc= -0.693 K(o=-0.69,f=-1.7!) USER MOD Single : A 16 ASN : amide:sc= -10.3! C(o=-10!,f=-8.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 78:sc= -0.309 USER MOD Single : A 33 THR OG1 : rot -36:sc= 0.668 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0531 USER MOD Single : A 43 MET CE :methyl 157:sc= -6.16! (180deg=-7.94!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= -0.0542 (180deg=-0.243) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.266 USER MOD Single : A 73 THR OG1 : rot 79:sc= -0.121 USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 0.831 (180deg=0.815) USER MOD Single : A 75 TYR OH : rot -11:sc= -1.11 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -3.16! C(o=-3.2!,f=-11!) USER MOD Single : A 101 SYO O33 : rot 128:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.867 -6.194 5.280 1.00 1.42 N ATOM 2 CA ALA A 1 13.323 -5.858 3.964 1.00 0.94 C ATOM 3 C ALA A 1 12.179 -6.759 3.655 1.00 0.83 C ATOM 4 O ALA A 1 11.898 -7.686 4.409 1.00 1.23 O ATOM 5 CB ALA A 1 14.384 -5.943 2.888 1.00 1.13 C ATOM 0 H1 ALA A 1 13.691 -5.409 5.939 1.00 1.42 H new ATOM 0 H2 ALA A 1 13.406 -7.055 5.637 1.00 1.42 H new ATOM 0 H3 ALA A 1 14.891 -6.357 5.201 1.00 1.42 H new ATOM 0 HA ALA A 1 12.971 -4.827 3.986 1.00 0.94 H new ATOM 0 HB1 ALA A 1 13.945 -5.687 1.923 1.00 1.13 H new ATOM 0 HB2 ALA A 1 15.190 -5.246 3.116 1.00 1.13 H new ATOM 0 HB3 ALA A 1 14.782 -6.957 2.848 1.00 1.13 H new ATOM 13 N ALA A 2 11.519 -6.504 2.563 1.00 0.85 N ATOM 14 CA ALA A 2 10.367 -7.231 2.203 1.00 1.24 C ATOM 15 C ALA A 2 10.205 -7.178 0.718 1.00 1.16 C ATOM 16 O ALA A 2 10.279 -6.115 0.119 1.00 1.77 O ATOM 17 CB ALA A 2 9.165 -6.600 2.864 1.00 1.85 C ATOM 0 H ALA A 2 11.780 -5.775 1.899 1.00 0.85 H new ATOM 0 HA ALA A 2 10.460 -8.268 2.524 1.00 1.24 H new ATOM 0 HB1 ALA A 2 8.267 -7.155 2.592 1.00 1.85 H new ATOM 0 HB2 ALA A 2 9.292 -6.622 3.946 1.00 1.85 H new ATOM 0 HB3 ALA A 2 9.067 -5.567 2.531 1.00 1.85 H new ATOM 23 N THR A 3 10.025 -8.284 0.133 1.00 0.54 N ATOM 24 CA THR A 3 9.761 -8.330 -1.267 1.00 0.48 C ATOM 25 C THR A 3 8.236 -8.314 -1.438 1.00 0.35 C ATOM 26 O THR A 3 7.520 -8.341 -0.426 1.00 0.35 O ATOM 27 CB THR A 3 10.442 -9.565 -1.961 1.00 0.59 C ATOM 28 OG1 THR A 3 10.390 -9.427 -3.373 1.00 0.66 O ATOM 29 CG2 THR A 3 9.782 -10.881 -1.568 1.00 0.66 C ATOM 0 H THR A 3 10.053 -9.193 0.595 1.00 0.54 H new ATOM 0 HA THR A 3 10.198 -7.465 -1.767 1.00 0.48 H new ATOM 0 HB THR A 3 11.478 -9.587 -1.622 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.819 -10.201 -3.793 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.286 -11.706 -2.072 1.00 0.66 H new ATOM 0 HG22 THR A 3 9.854 -11.016 -0.489 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.732 -10.864 -1.862 1.00 0.66 H new ATOM 37 N GLN A 4 7.738 -8.262 -2.668 1.00 0.32 N ATOM 38 CA GLN A 4 6.280 -8.245 -2.943 1.00 0.28 C ATOM 39 C GLN A 4 5.492 -9.277 -2.143 1.00 0.27 C ATOM 40 O GLN A 4 4.419 -8.965 -1.625 1.00 0.26 O ATOM 41 CB GLN A 4 5.978 -8.353 -4.456 1.00 0.33 C ATOM 42 CG GLN A 4 4.512 -8.652 -4.806 1.00 0.37 C ATOM 43 CD GLN A 4 4.195 -10.153 -4.857 1.00 0.39 C ATOM 44 OE1 GLN A 4 5.046 -10.962 -5.203 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.010 -10.532 -4.473 1.00 0.48 N ATOM 0 H GLN A 4 8.317 -8.230 -3.507 1.00 0.32 H new ATOM 0 HA GLN A 4 5.932 -7.271 -2.598 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.267 -7.418 -4.936 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.605 -9.137 -4.881 1.00 0.33 H new ATOM 0 HG2 GLN A 4 3.865 -8.176 -4.069 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.278 -8.205 -5.772 1.00 0.37 H new ATOM 0 HE21 GLN A 4 2.319 -9.837 -4.190 1.00 0.48 H new ATOM 0 HE22 GLN A 4 2.773 -11.524 -4.456 1.00 0.48 H new ATOM 54 N GLU A 5 6.051 -10.467 -2.003 1.00 0.33 N ATOM 55 CA GLU A 5 5.394 -11.560 -1.292 1.00 0.40 C ATOM 56 C GLU A 5 5.135 -11.214 0.173 1.00 0.39 C ATOM 57 O GLU A 5 4.232 -11.749 0.793 1.00 0.55 O ATOM 58 CB GLU A 5 6.213 -12.829 -1.398 1.00 0.57 C ATOM 59 CG GLU A 5 6.531 -13.213 -2.822 1.00 0.85 C ATOM 60 CD GLU A 5 7.184 -14.552 -2.919 1.00 1.88 C ATOM 61 OE1 GLU A 5 8.414 -14.631 -2.721 1.00 2.66 O ATOM 62 OE2 GLU A 5 6.490 -15.561 -3.182 1.00 2.37 O ATOM 0 H GLU A 5 6.970 -10.706 -2.376 1.00 0.33 H new ATOM 0 HA GLU A 5 4.426 -11.721 -1.766 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.144 -12.700 -0.847 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.670 -13.645 -0.921 1.00 0.57 H new ATOM 0 HG2 GLU A 5 5.612 -13.217 -3.408 1.00 0.85 H new ATOM 0 HG3 GLU A 5 7.186 -12.460 -3.261 1.00 0.85 H new ATOM 69 N GLU A 6 5.957 -10.364 0.730 1.00 0.36 N ATOM 70 CA GLU A 6 5.747 -9.887 2.069 1.00 0.42 C ATOM 71 C GLU A 6 4.859 -8.633 2.030 1.00 0.32 C ATOM 72 O GLU A 6 3.996 -8.443 2.878 1.00 0.37 O ATOM 73 CB GLU A 6 7.087 -9.550 2.738 1.00 0.55 C ATOM 74 CG GLU A 6 6.978 -9.171 4.217 1.00 0.82 C ATOM 75 CD GLU A 6 6.512 -10.314 5.098 1.00 1.75 C ATOM 76 OE1 GLU A 6 5.307 -10.602 5.121 1.00 2.73 O ATOM 77 OE2 GLU A 6 7.332 -10.947 5.780 1.00 2.05 O ATOM 0 H GLU A 6 6.785 -9.986 0.271 1.00 0.36 H new ATOM 0 HA GLU A 6 5.256 -10.669 2.649 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.752 -10.408 2.644 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.552 -8.725 2.198 1.00 0.55 H new ATOM 0 HG2 GLU A 6 7.950 -8.824 4.568 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.285 -8.336 4.321 1.00 0.82 H new ATOM 84 N ILE A 7 5.046 -7.810 0.990 1.00 0.21 N ATOM 85 CA ILE A 7 4.423 -6.503 0.931 1.00 0.16 C ATOM 86 C ILE A 7 2.942 -6.599 0.669 1.00 0.14 C ATOM 87 O ILE A 7 2.170 -6.279 1.516 1.00 0.18 O ATOM 88 CB ILE A 7 5.082 -5.647 -0.165 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.552 -5.445 0.161 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.376 -4.297 -0.295 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.322 -4.767 -0.926 1.00 0.23 C ATOM 0 H ILE A 7 5.626 -8.036 0.182 1.00 0.21 H new ATOM 0 HA ILE A 7 4.566 -6.032 1.903 1.00 0.16 H new ATOM 0 HB ILE A 7 4.994 -6.168 -1.119 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.635 -4.856 1.074 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.006 -6.415 0.365 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.858 -3.708 -1.075 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.330 -4.457 -0.555 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.436 -3.762 0.653 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.363 -4.658 -0.621 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.271 -5.366 -1.836 1.00 0.23 H new ATOM 0 HD13 ILE A 7 6.894 -3.783 -1.115 1.00 0.23 H new ATOM 103 N VAL A 8 2.569 -7.057 -0.483 1.00 0.13 N ATOM 104 CA VAL A 8 1.165 -7.162 -0.856 1.00 0.15 C ATOM 105 C VAL A 8 0.402 -8.033 0.123 1.00 0.18 C ATOM 106 O VAL A 8 -0.698 -7.685 0.535 1.00 0.25 O ATOM 107 CB VAL A 8 1.021 -7.674 -2.296 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.432 -7.738 -2.736 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.827 -6.809 -3.232 1.00 0.17 C ATOM 0 H VAL A 8 3.218 -7.373 -1.204 1.00 0.13 H new ATOM 0 HA VAL A 8 0.727 -6.165 -0.813 1.00 0.15 H new ATOM 0 HB VAL A 8 1.407 -8.693 -2.329 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.486 -8.106 -3.761 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.982 -8.412 -2.079 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.872 -6.742 -2.684 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.720 -7.178 -4.252 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.467 -5.782 -3.179 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.878 -6.841 -2.943 1.00 0.17 H new ATOM 119 N ALA A 9 1.022 -9.105 0.540 1.00 0.18 N ATOM 120 CA ALA A 9 0.442 -9.999 1.511 1.00 0.22 C ATOM 121 C ALA A 9 0.171 -9.279 2.837 1.00 0.21 C ATOM 122 O ALA A 9 -0.857 -9.510 3.478 1.00 0.27 O ATOM 123 CB ALA A 9 1.362 -11.168 1.739 1.00 0.26 C ATOM 0 H ALA A 9 1.947 -9.385 0.215 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.511 -10.356 1.120 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.920 -11.841 2.474 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.511 -11.702 0.801 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.322 -10.809 2.108 1.00 0.26 H new ATOM 129 N GLY A 10 1.068 -8.383 3.209 1.00 0.18 N ATOM 130 CA GLY A 10 0.962 -7.684 4.439 1.00 0.18 C ATOM 131 C GLY A 10 0.091 -6.497 4.338 1.00 0.15 C ATOM 132 O GLY A 10 -0.701 -6.211 5.225 1.00 0.16 O ATOM 0 H GLY A 10 1.885 -8.132 2.653 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.569 -8.355 5.203 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.955 -7.376 4.765 1.00 0.18 H new ATOM 136 N LEU A 11 0.214 -5.825 3.235 1.00 0.14 N ATOM 137 CA LEU A 11 -0.504 -4.632 2.953 1.00 0.13 C ATOM 138 C LEU A 11 -1.978 -4.965 2.868 1.00 0.14 C ATOM 139 O LEU A 11 -2.813 -4.213 3.342 1.00 0.16 O ATOM 140 CB LEU A 11 0.019 -4.053 1.648 1.00 0.13 C ATOM 141 CG LEU A 11 0.275 -2.554 1.619 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.896 -2.168 0.290 1.00 0.18 C ATOM 143 CD2 LEU A 11 -1.003 -1.791 1.843 1.00 0.20 C ATOM 0 H LEU A 11 0.842 -6.107 2.482 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.368 -3.888 3.738 1.00 0.13 H new ATOM 0 HB2 LEU A 11 0.950 -4.562 1.399 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.695 -4.291 0.860 1.00 0.13 H new ATOM 0 HG LEU A 11 0.965 -2.299 2.423 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.078 -1.094 0.272 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.840 -2.698 0.162 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.217 -2.434 -0.520 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.797 -0.721 1.818 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.718 -2.041 1.059 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.421 -2.058 2.814 1.00 0.20 H new ATOM 155 N ALA A 12 -2.276 -6.136 2.302 1.00 0.12 N ATOM 156 CA ALA A 12 -3.624 -6.652 2.241 1.00 0.13 C ATOM 157 C ALA A 12 -4.212 -6.711 3.626 1.00 0.11 C ATOM 158 O ALA A 12 -5.310 -6.224 3.846 1.00 0.13 O ATOM 159 CB ALA A 12 -3.629 -8.036 1.642 1.00 0.14 C ATOM 0 H ALA A 12 -1.580 -6.747 1.875 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.221 -5.988 1.616 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.651 -8.412 1.603 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.217 -7.997 0.633 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.022 -8.701 2.257 1.00 0.14 H new ATOM 165 N GLU A 13 -3.434 -7.253 4.561 1.00 0.12 N ATOM 166 CA GLU A 13 -3.837 -7.409 5.951 1.00 0.13 C ATOM 167 C GLU A 13 -4.131 -6.086 6.594 1.00 0.15 C ATOM 168 O GLU A 13 -5.118 -5.935 7.321 1.00 0.19 O ATOM 169 CB GLU A 13 -2.791 -8.168 6.731 1.00 0.18 C ATOM 170 CG GLU A 13 -2.592 -9.573 6.229 1.00 0.23 C ATOM 171 CD GLU A 13 -1.479 -10.280 6.953 1.00 0.36 C ATOM 172 OE1 GLU A 13 -1.706 -10.834 8.041 1.00 0.68 O ATOM 173 OE2 GLU A 13 -0.347 -10.314 6.433 1.00 0.52 O ATOM 0 H GLU A 13 -2.494 -7.600 4.369 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.760 -7.989 5.962 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.844 -7.631 6.678 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.080 -8.200 7.781 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.518 -10.135 6.350 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.372 -9.548 5.162 1.00 0.23 H new ATOM 180 N ILE A 14 -3.302 -5.129 6.299 1.00 0.14 N ATOM 181 CA ILE A 14 -3.487 -3.769 6.790 1.00 0.17 C ATOM 182 C ILE A 14 -4.831 -3.216 6.272 1.00 0.18 C ATOM 183 O ILE A 14 -5.640 -2.682 7.027 1.00 0.22 O ATOM 184 CB ILE A 14 -2.321 -2.891 6.295 1.00 0.21 C ATOM 185 CG1 ILE A 14 -1.006 -3.485 6.802 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.490 -1.458 6.780 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.226 -2.943 6.143 1.00 0.25 C ATOM 0 H ILE A 14 -2.476 -5.254 5.714 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.501 -3.764 7.880 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.312 -2.872 5.205 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.934 -3.308 7.875 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -1.032 -4.565 6.658 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.658 -0.852 6.421 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.426 -1.052 6.397 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.507 -1.442 7.870 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.107 -3.424 6.568 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.184 -3.143 5.072 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.284 -1.867 6.309 1.00 0.25 H new ATOM 199 N VAL A 15 -5.089 -3.458 5.009 1.00 0.15 N ATOM 200 CA VAL A 15 -6.270 -2.966 4.313 1.00 0.17 C ATOM 201 C VAL A 15 -7.544 -3.638 4.846 1.00 0.18 C ATOM 202 O VAL A 15 -8.659 -3.089 4.765 1.00 0.22 O ATOM 203 CB VAL A 15 -6.113 -3.188 2.781 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.348 -2.837 2.026 1.00 0.27 C ATOM 205 CG2 VAL A 15 -4.978 -2.362 2.261 1.00 0.23 C ATOM 0 H VAL A 15 -4.473 -4.015 4.416 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.366 -1.896 4.499 1.00 0.17 H new ATOM 0 HB VAL A 15 -5.917 -4.250 2.632 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.186 -3.010 0.962 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.175 -3.457 2.372 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.589 -1.787 2.190 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -4.873 -2.522 1.188 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.177 -1.308 2.453 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.056 -2.654 2.763 1.00 0.23 H new ATOM 215 N ASN A 16 -7.362 -4.799 5.412 1.00 0.16 N ATOM 216 CA ASN A 16 -8.462 -5.558 6.008 1.00 0.20 C ATOM 217 C ASN A 16 -8.904 -4.872 7.288 1.00 0.25 C ATOM 218 O ASN A 16 -10.088 -4.699 7.544 1.00 0.34 O ATOM 219 CB ASN A 16 -8.037 -6.984 6.401 1.00 0.20 C ATOM 220 CG ASN A 16 -7.352 -7.789 5.354 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.500 -8.610 5.660 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.750 -7.658 4.149 1.00 0.27 N ATOM 0 H ASN A 16 -6.454 -5.258 5.481 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.256 -5.605 5.263 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.376 -6.916 7.265 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.926 -7.528 6.721 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.356 -8.246 3.415 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.463 -6.965 3.920 1.00 0.27 H new ATOM 229 N GLU A 17 -7.930 -4.486 8.084 1.00 0.26 N ATOM 230 CA GLU A 17 -8.184 -3.931 9.398 1.00 0.35 C ATOM 231 C GLU A 17 -8.495 -2.437 9.363 1.00 0.38 C ATOM 232 O GLU A 17 -9.309 -1.954 10.151 1.00 0.47 O ATOM 233 CB GLU A 17 -7.016 -4.226 10.319 1.00 0.41 C ATOM 234 CG GLU A 17 -6.658 -5.699 10.346 1.00 0.46 C ATOM 235 CD GLU A 17 -5.605 -6.032 11.348 1.00 1.22 C ATOM 236 OE1 GLU A 17 -4.450 -5.612 11.185 1.00 2.07 O ATOM 237 OE2 GLU A 17 -5.908 -6.726 12.328 1.00 1.35 O ATOM 0 H GLU A 17 -6.941 -4.547 7.840 1.00 0.26 H new ATOM 0 HA GLU A 17 -9.080 -4.415 9.787 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -6.148 -3.650 9.997 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -7.261 -3.896 11.329 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -7.554 -6.280 10.565 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -6.316 -6.001 9.356 1.00 0.46 H new ATOM 244 N ILE A 18 -7.833 -1.704 8.481 1.00 0.32 N ATOM 245 CA ILE A 18 -8.079 -0.264 8.355 1.00 0.38 C ATOM 246 C ILE A 18 -9.462 -0.046 7.740 1.00 0.39 C ATOM 247 O ILE A 18 -10.306 0.660 8.295 1.00 0.43 O ATOM 248 CB ILE A 18 -7.018 0.396 7.430 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.589 0.221 7.989 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.329 1.876 7.218 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.274 1.003 9.244 1.00 0.58 C ATOM 0 H ILE A 18 -7.126 -2.072 7.844 1.00 0.32 H new ATOM 0 HA ILE A 18 -8.020 0.187 9.346 1.00 0.38 H new ATOM 0 HB ILE A 18 -7.064 -0.112 6.467 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.426 -0.837 8.192 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -4.878 0.510 7.215 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.574 2.317 6.568 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.311 1.979 6.756 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.325 2.390 8.179 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.246 0.805 9.547 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.396 2.068 9.049 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -5.952 0.700 10.042 1.00 0.58 H new ATOM 263 N ALA A 19 -9.692 -0.676 6.610 1.00 0.39 N ATOM 264 CA ALA A 19 -10.949 -0.550 5.932 1.00 0.44 C ATOM 265 C ALA A 19 -11.777 -1.793 6.166 1.00 0.41 C ATOM 266 O ALA A 19 -12.522 -1.878 7.138 1.00 0.54 O ATOM 267 CB ALA A 19 -10.749 -0.294 4.442 1.00 0.48 C ATOM 0 H ALA A 19 -9.017 -1.282 6.144 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.482 0.310 6.337 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.720 -0.203 3.955 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.186 0.629 4.304 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.198 -1.125 4.001 1.00 0.48 H new ATOM 273 N GLY A 20 -11.604 -2.761 5.308 1.00 0.34 N ATOM 274 CA GLY A 20 -12.306 -4.010 5.468 1.00 0.33 C ATOM 275 C GLY A 20 -12.234 -4.876 4.254 1.00 0.32 C ATOM 276 O GLY A 20 -13.210 -5.518 3.886 1.00 0.43 O ATOM 0 H GLY A 20 -10.989 -2.713 4.496 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.889 -4.549 6.318 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.351 -3.806 5.702 1.00 0.33 H new ATOM 280 N ILE A 21 -11.085 -4.901 3.623 1.00 0.27 N ATOM 281 CA ILE A 21 -10.891 -5.741 2.458 1.00 0.26 C ATOM 282 C ILE A 21 -10.744 -7.185 2.891 1.00 0.25 C ATOM 283 O ILE A 21 -10.343 -7.442 3.998 1.00 0.24 O ATOM 284 CB ILE A 21 -9.687 -5.242 1.579 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.179 -4.330 0.440 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.753 -6.356 1.060 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.914 -3.084 0.897 1.00 0.29 C ATOM 0 H ILE A 21 -10.269 -4.352 3.893 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.771 -5.673 1.818 1.00 0.26 H new ATOM 0 HB ILE A 21 -9.060 -4.659 2.253 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.322 -4.029 -0.162 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.838 -4.906 -0.209 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.954 -5.913 0.465 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.321 -6.892 1.905 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.323 -7.051 0.443 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.222 -2.504 0.027 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.794 -3.371 1.472 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.254 -2.480 1.520 1.00 0.29 H new ATOM 299 N PRO A 22 -11.114 -8.125 2.054 1.00 0.29 N ATOM 300 CA PRO A 22 -11.016 -9.561 2.351 1.00 0.35 C ATOM 301 C PRO A 22 -9.659 -10.203 1.997 1.00 0.45 C ATOM 302 O PRO A 22 -9.617 -11.369 1.628 1.00 1.08 O ATOM 303 CB PRO A 22 -12.070 -10.162 1.449 1.00 0.37 C ATOM 304 CG PRO A 22 -12.752 -9.019 0.777 1.00 0.44 C ATOM 305 CD PRO A 22 -11.794 -7.901 0.794 1.00 0.34 C ATOM 0 HA PRO A 22 -11.137 -9.731 3.421 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.618 -10.830 0.716 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.781 -10.755 2.024 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -13.030 -9.278 -0.245 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.671 -8.752 1.299 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -11.109 -7.934 -0.054 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.293 -6.932 0.763 1.00 0.34 H new ATOM 313 N VAL A 23 -8.590 -9.433 2.102 1.00 0.39 N ATOM 314 CA VAL A 23 -7.150 -9.842 1.899 1.00 0.32 C ATOM 315 C VAL A 23 -6.780 -10.389 0.498 1.00 0.42 C ATOM 316 O VAL A 23 -5.645 -10.269 0.073 1.00 0.81 O ATOM 317 CB VAL A 23 -6.565 -10.744 3.079 1.00 0.31 C ATOM 318 CG1 VAL A 23 -7.114 -12.161 3.098 1.00 0.41 C ATOM 319 CG2 VAL A 23 -5.048 -10.762 3.116 1.00 0.33 C ATOM 0 H VAL A 23 -8.673 -8.445 2.343 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.635 -8.883 1.945 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.917 -10.254 3.987 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.670 -12.712 3.927 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -8.197 -12.130 3.221 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.870 -12.658 2.159 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.712 -11.392 3.939 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.666 -11.159 2.176 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.675 -9.748 3.259 1.00 0.33 H new ATOM 329 N GLU A 24 -7.736 -10.866 -0.233 1.00 0.33 N ATOM 330 CA GLU A 24 -7.469 -11.487 -1.524 1.00 0.40 C ATOM 331 C GLU A 24 -7.587 -10.476 -2.649 1.00 0.34 C ATOM 332 O GLU A 24 -7.113 -10.698 -3.755 1.00 0.44 O ATOM 333 CB GLU A 24 -8.460 -12.615 -1.762 1.00 0.57 C ATOM 334 CG GLU A 24 -8.450 -13.723 -0.719 1.00 1.36 C ATOM 335 CD GLU A 24 -7.111 -14.401 -0.577 1.00 1.86 C ATOM 336 OE1 GLU A 24 -6.600 -14.946 -1.575 1.00 2.20 O ATOM 337 OE2 GLU A 24 -6.549 -14.402 0.530 1.00 2.31 O ATOM 0 H GLU A 24 -8.721 -10.845 0.030 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.452 -11.878 -1.510 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -9.463 -12.191 -1.808 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -8.256 -13.056 -2.738 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -8.742 -13.307 0.245 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -9.200 -14.468 -0.985 1.00 1.36 H new ATOM 344 N ASP A 25 -8.192 -9.351 -2.335 1.00 0.28 N ATOM 345 CA ASP A 25 -8.494 -8.328 -3.339 1.00 0.29 C ATOM 346 C ASP A 25 -7.315 -7.447 -3.593 1.00 0.25 C ATOM 347 O ASP A 25 -7.169 -6.877 -4.665 1.00 0.28 O ATOM 348 CB ASP A 25 -9.694 -7.480 -2.914 1.00 0.35 C ATOM 349 CG ASP A 25 -10.993 -8.232 -2.992 1.00 0.94 C ATOM 350 OD1 ASP A 25 -11.277 -9.058 -2.107 1.00 1.59 O ATOM 351 OD2 ASP A 25 -11.746 -8.026 -3.952 1.00 1.57 O ATOM 0 H ASP A 25 -8.490 -9.112 -1.389 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.740 -8.848 -4.265 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -9.543 -7.130 -1.893 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.752 -6.596 -3.549 1.00 0.35 H new ATOM 356 N VAL A 26 -6.479 -7.340 -2.598 1.00 0.23 N ATOM 357 CA VAL A 26 -5.279 -6.508 -2.688 1.00 0.22 C ATOM 358 C VAL A 26 -4.275 -7.189 -3.622 1.00 0.25 C ATOM 359 O VAL A 26 -3.624 -8.156 -3.248 1.00 0.30 O ATOM 360 CB VAL A 26 -4.654 -6.290 -1.284 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.462 -5.344 -1.337 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.690 -5.744 -0.331 1.00 0.27 C ATOM 0 H VAL A 26 -6.595 -7.816 -1.703 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.546 -5.529 -3.087 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.302 -7.259 -0.930 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.053 -5.218 -0.335 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.696 -5.760 -1.992 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.782 -4.376 -1.723 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.239 -5.595 0.650 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.064 -4.791 -0.707 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.516 -6.450 -0.248 1.00 0.27 H new ATOM 372 N LYS A 27 -4.253 -6.743 -4.858 1.00 0.28 N ATOM 373 CA LYS A 27 -3.408 -7.312 -5.869 1.00 0.35 C ATOM 374 C LYS A 27 -2.674 -6.156 -6.532 1.00 0.37 C ATOM 375 O LYS A 27 -3.098 -5.007 -6.393 1.00 0.72 O ATOM 376 CB LYS A 27 -4.314 -7.997 -6.904 1.00 0.40 C ATOM 377 CG LYS A 27 -3.683 -9.137 -7.686 1.00 0.83 C ATOM 378 CD LYS A 27 -3.306 -10.312 -6.780 1.00 1.13 C ATOM 379 CE LYS A 27 -4.509 -10.868 -6.021 1.00 1.15 C ATOM 380 NZ LYS A 27 -4.153 -12.053 -5.224 1.00 1.58 N ATOM 0 H LYS A 27 -4.829 -5.968 -5.187 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.702 -8.033 -5.458 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -5.196 -8.379 -6.390 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -4.659 -7.243 -7.612 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -4.378 -9.479 -8.453 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -2.793 -8.775 -8.200 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -2.861 -11.104 -7.382 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -2.547 -9.989 -6.067 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -4.913 -10.097 -5.365 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -5.296 -11.129 -6.728 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -4.996 -12.401 -4.724 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -3.791 -12.798 -5.853 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -3.420 -11.798 -4.532 1.00 1.58 H new ATOM 394 N LEU A 28 -1.598 -6.424 -7.224 1.00 0.24 N ATOM 395 CA LEU A 28 -0.874 -5.379 -7.933 1.00 0.22 C ATOM 396 C LEU A 28 -1.783 -4.766 -8.979 1.00 0.23 C ATOM 397 O LEU A 28 -2.657 -5.443 -9.529 1.00 0.31 O ATOM 398 CB LEU A 28 0.402 -5.919 -8.608 1.00 0.27 C ATOM 399 CG LEU A 28 1.460 -6.555 -7.706 1.00 0.43 C ATOM 400 CD1 LEU A 28 2.610 -7.098 -8.540 1.00 1.05 C ATOM 401 CD2 LEU A 28 1.975 -5.556 -6.713 1.00 1.05 C ATOM 0 H LEU A 28 -1.196 -7.357 -7.317 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.569 -4.626 -7.206 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.103 -6.659 -9.350 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.871 -5.097 -9.149 1.00 0.27 H new ATOM 0 HG LEU A 28 0.997 -7.380 -7.164 1.00 0.43 H new ATOM 0 HD11 LEU A 28 3.355 -7.548 -7.884 1.00 1.05 H new ATOM 0 HD12 LEU A 28 2.234 -7.852 -9.232 1.00 1.05 H new ATOM 0 HD13 LEU A 28 3.067 -6.284 -9.103 1.00 1.05 H new ATOM 0 HD21 LEU A 28 2.727 -6.027 -6.080 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.422 -4.714 -7.242 1.00 1.05 H new ATOM 0 HD23 LEU A 28 1.151 -5.200 -6.094 1.00 1.05 H new ATOM 413 N ASP A 29 -1.609 -3.472 -9.182 1.00 0.24 N ATOM 414 CA ASP A 29 -2.383 -2.664 -10.150 1.00 0.31 C ATOM 415 C ASP A 29 -3.805 -2.401 -9.621 1.00 0.28 C ATOM 416 O ASP A 29 -4.650 -1.852 -10.308 1.00 0.38 O ATOM 417 CB ASP A 29 -2.394 -3.317 -11.559 1.00 0.42 C ATOM 418 CG ASP A 29 -2.906 -2.410 -12.676 1.00 0.60 C ATOM 419 OD1 ASP A 29 -2.174 -1.464 -13.078 1.00 0.72 O ATOM 420 OD2 ASP A 29 -3.994 -2.674 -13.235 1.00 0.70 O ATOM 0 H ASP A 29 -0.913 -2.927 -8.674 1.00 0.24 H new ATOM 0 HA ASP A 29 -1.889 -1.699 -10.260 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.381 -3.637 -11.804 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.013 -4.214 -11.525 1.00 0.42 H new ATOM 425 N LYS A 30 -4.040 -2.741 -8.355 1.00 0.19 N ATOM 426 CA LYS A 30 -5.329 -2.479 -7.740 1.00 0.20 C ATOM 427 C LYS A 30 -5.221 -1.313 -6.851 1.00 0.20 C ATOM 428 O LYS A 30 -4.384 -1.272 -5.960 1.00 0.24 O ATOM 429 CB LYS A 30 -5.850 -3.581 -6.869 1.00 0.28 C ATOM 430 CG LYS A 30 -6.178 -4.899 -7.509 1.00 0.36 C ATOM 431 CD LYS A 30 -7.401 -4.828 -8.396 1.00 0.45 C ATOM 432 CE LYS A 30 -7.718 -6.202 -8.952 1.00 0.79 C ATOM 433 NZ LYS A 30 -8.911 -6.205 -9.813 1.00 1.48 N ATOM 0 H LYS A 30 -3.359 -3.194 -7.745 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.007 -2.343 -8.583 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.112 -3.765 -6.088 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.752 -3.217 -6.376 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.325 -5.234 -8.099 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.341 -5.645 -6.732 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.251 -4.452 -7.828 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.228 -4.127 -9.213 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -6.863 -6.565 -9.522 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -7.869 -6.897 -8.126 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -9.082 -7.168 -10.166 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -9.735 -5.885 -9.265 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -8.760 -5.563 -10.617 1.00 1.48 H new ATOM 447 N SER A 31 -6.058 -0.423 -7.059 1.00 0.20 N ATOM 448 CA SER A 31 -6.142 0.775 -6.300 1.00 0.34 C ATOM 449 C SER A 31 -6.971 0.498 -5.062 1.00 0.53 C ATOM 450 O SER A 31 -8.156 0.245 -5.152 1.00 1.25 O ATOM 451 CB SER A 31 -6.813 1.857 -7.134 1.00 0.36 C ATOM 452 OG SER A 31 -6.251 1.912 -8.429 1.00 0.86 O ATOM 0 H SER A 31 -6.758 -0.484 -7.799 1.00 0.20 H new ATOM 0 HA SER A 31 -5.146 1.113 -6.015 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.882 1.657 -7.205 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.701 2.823 -6.643 1.00 0.36 H new ATOM 0 HG SER A 31 -6.612 1.181 -8.973 1.00 0.86 H new ATOM 458 N PHE A 32 -6.326 0.465 -3.947 1.00 0.29 N ATOM 459 CA PHE A 32 -6.941 0.269 -2.645 1.00 0.28 C ATOM 460 C PHE A 32 -8.181 1.174 -2.500 1.00 0.26 C ATOM 461 O PHE A 32 -9.302 0.713 -2.250 1.00 0.40 O ATOM 462 CB PHE A 32 -5.965 0.666 -1.554 1.00 0.40 C ATOM 463 CG PHE A 32 -4.577 0.095 -1.610 1.00 0.35 C ATOM 464 CD1 PHE A 32 -3.597 0.714 -2.340 1.00 0.35 C ATOM 465 CD2 PHE A 32 -4.277 -1.098 -0.969 1.00 0.38 C ATOM 466 CE1 PHE A 32 -2.345 0.167 -2.436 1.00 0.34 C ATOM 467 CE2 PHE A 32 -3.023 -1.648 -1.054 1.00 0.40 C ATOM 468 CZ PHE A 32 -2.001 -0.894 -1.633 1.00 0.36 C ATOM 0 H PHE A 32 -5.313 0.577 -3.897 1.00 0.29 H new ATOM 0 HA PHE A 32 -7.221 -0.781 -2.557 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.880 1.753 -1.561 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.403 0.387 -0.596 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -3.814 1.643 -2.845 1.00 0.35 H new ATOM 0 HD2 PHE A 32 -5.041 -1.601 -0.395 1.00 0.38 H new ATOM 0 HE1 PHE A 32 -1.631 0.568 -3.140 1.00 0.34 H new ATOM 0 HE2 PHE A 32 -2.831 -2.643 -0.681 1.00 0.40 H new ATOM 0 HZ PHE A 32 -0.964 -1.139 -1.454 1.00 0.36 H new ATOM 478 N THR A 33 -7.953 2.434 -2.720 1.00 0.28 N ATOM 479 CA THR A 33 -8.920 3.493 -2.611 1.00 0.36 C ATOM 480 C THR A 33 -9.902 3.580 -3.830 1.00 0.45 C ATOM 481 O THR A 33 -10.556 4.614 -4.033 1.00 1.06 O ATOM 482 CB THR A 33 -8.110 4.794 -2.513 1.00 0.61 C ATOM 483 OG1 THR A 33 -8.932 5.940 -2.275 1.00 1.01 O ATOM 484 CG2 THR A 33 -7.287 4.965 -3.795 1.00 0.78 C ATOM 0 H THR A 33 -7.032 2.774 -2.997 1.00 0.28 H new ATOM 0 HA THR A 33 -9.551 3.310 -1.742 1.00 0.36 H new ATOM 0 HB THR A 33 -7.446 4.717 -1.652 1.00 0.61 H new ATOM 0 HG1 THR A 33 -9.777 5.843 -2.761 1.00 1.01 H new ATOM 0 HG21 THR A 33 -6.708 5.887 -3.735 1.00 0.78 H new ATOM 0 HG22 THR A 33 -6.610 4.118 -3.909 1.00 0.78 H new ATOM 0 HG23 THR A 33 -7.957 5.012 -4.654 1.00 0.78 H new ATOM 492 N ASP A 34 -10.043 2.516 -4.602 1.00 0.32 N ATOM 493 CA ASP A 34 -10.935 2.579 -5.776 1.00 0.34 C ATOM 494 C ASP A 34 -11.359 1.200 -6.202 1.00 0.35 C ATOM 495 O ASP A 34 -12.526 0.849 -6.143 1.00 0.50 O ATOM 496 CB ASP A 34 -10.226 3.279 -6.946 1.00 0.38 C ATOM 497 CG ASP A 34 -11.110 3.461 -8.157 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.211 2.549 -8.981 1.00 1.74 O ATOM 499 OD2 ASP A 34 -11.683 4.555 -8.319 1.00 1.04 O ATOM 0 H ASP A 34 -9.575 1.622 -4.456 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.821 3.148 -5.495 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.870 4.254 -6.615 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -9.348 2.699 -7.230 1.00 0.38 H new ATOM 504 N ASP A 35 -10.377 0.419 -6.580 1.00 0.30 N ATOM 505 CA ASP A 35 -10.558 -0.945 -7.054 1.00 0.32 C ATOM 506 C ASP A 35 -10.990 -1.820 -5.926 1.00 0.35 C ATOM 507 O ASP A 35 -11.825 -2.704 -6.082 1.00 0.52 O ATOM 508 CB ASP A 35 -9.240 -1.490 -7.635 1.00 0.31 C ATOM 509 CG ASP A 35 -8.861 -0.910 -8.976 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.674 -0.994 -9.912 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.771 -0.346 -9.114 1.00 1.10 O ATOM 0 H ASP A 35 -9.401 0.716 -6.569 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.321 -0.941 -7.833 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.436 -1.291 -6.927 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.320 -2.573 -7.731 1.00 0.31 H new ATOM 516 N LEU A 36 -10.394 -1.585 -4.788 1.00 0.30 N ATOM 517 CA LEU A 36 -10.725 -2.332 -3.617 1.00 0.33 C ATOM 518 C LEU A 36 -12.006 -1.786 -2.961 1.00 0.39 C ATOM 519 O LEU A 36 -13.109 -2.180 -3.351 1.00 0.81 O ATOM 520 CB LEU A 36 -9.547 -2.363 -2.631 1.00 0.33 C ATOM 521 CG LEU A 36 -8.195 -2.802 -3.193 1.00 0.33 C ATOM 522 CD1 LEU A 36 -7.206 -3.050 -2.077 1.00 0.36 C ATOM 523 CD2 LEU A 36 -8.324 -4.008 -4.080 1.00 0.36 C ATOM 0 H LEU A 36 -9.673 -0.876 -4.652 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.925 -3.361 -3.914 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.432 -1.366 -2.207 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.808 -3.031 -1.810 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.816 -1.988 -3.811 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -6.251 -3.361 -2.500 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -7.067 -2.134 -1.503 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.586 -3.834 -1.422 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -7.341 -4.288 -4.459 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.742 -4.837 -3.509 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.983 -3.775 -4.917 1.00 0.36 H new ATOM 535 N ASP A 37 -11.850 -0.836 -2.016 1.00 0.35 N ATOM 536 CA ASP A 37 -13.003 -0.224 -1.262 1.00 0.45 C ATOM 537 C ASP A 37 -12.470 0.588 -0.071 1.00 0.39 C ATOM 538 O ASP A 37 -13.190 0.896 0.886 1.00 0.87 O ATOM 539 CB ASP A 37 -13.961 -1.322 -0.721 1.00 0.79 C ATOM 540 CG ASP A 37 -15.289 -0.788 -0.210 1.00 0.90 C ATOM 541 OD1 ASP A 37 -16.055 -0.194 -1.004 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.558 -0.903 1.006 1.00 0.99 O ATOM 0 H ASP A 37 -10.940 -0.464 -1.744 1.00 0.35 H new ATOM 0 HA ASP A 37 -13.550 0.421 -1.950 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.153 -2.045 -1.514 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -13.462 -1.859 0.086 1.00 0.79 H new ATOM 547 N VAL A 38 -11.217 0.964 -0.130 1.00 0.38 N ATOM 548 CA VAL A 38 -10.626 1.654 0.987 1.00 0.37 C ATOM 549 C VAL A 38 -10.875 3.129 0.838 1.00 0.48 C ATOM 550 O VAL A 38 -10.919 3.654 -0.285 1.00 0.79 O ATOM 551 CB VAL A 38 -9.102 1.404 1.091 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.550 1.913 2.418 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.789 -0.052 0.915 1.00 0.43 C ATOM 0 H VAL A 38 -10.597 0.808 -0.924 1.00 0.38 H new ATOM 0 HA VAL A 38 -11.086 1.270 1.897 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.618 1.960 0.289 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.477 1.724 2.463 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.733 2.984 2.501 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -9.044 1.395 3.240 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.712 -0.205 0.992 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.294 -0.629 1.690 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.133 -0.382 -0.065 1.00 0.43 H new ATOM 563 N ASP A 39 -11.071 3.778 1.938 1.00 0.39 N ATOM 564 CA ASP A 39 -11.262 5.199 1.936 1.00 0.55 C ATOM 565 C ASP A 39 -9.941 5.886 1.879 1.00 0.67 C ATOM 566 O ASP A 39 -9.058 5.600 2.687 1.00 1.53 O ATOM 567 CB ASP A 39 -12.047 5.698 3.156 1.00 0.64 C ATOM 568 CG ASP A 39 -13.515 5.402 3.079 1.00 1.28 C ATOM 569 OD1 ASP A 39 -14.269 6.226 2.524 1.00 1.51 O ATOM 570 OD2 ASP A 39 -13.953 4.343 3.564 1.00 2.00 O ATOM 0 H ASP A 39 -11.104 3.345 2.861 1.00 0.39 H new ATOM 0 HA ASP A 39 -11.854 5.438 1.052 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -11.638 5.238 4.056 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -11.905 6.774 3.255 1.00 0.64 H new ATOM 575 N SER A 40 -9.793 6.730 0.886 1.00 0.45 N ATOM 576 CA SER A 40 -8.671 7.618 0.704 1.00 0.37 C ATOM 577 C SER A 40 -8.102 8.194 2.004 1.00 0.34 C ATOM 578 O SER A 40 -6.880 8.217 2.202 1.00 0.46 O ATOM 579 CB SER A 40 -9.107 8.737 -0.183 1.00 0.51 C ATOM 580 OG SER A 40 -8.149 9.808 -0.111 1.00 0.78 O ATOM 0 H SER A 40 -10.488 6.820 0.145 1.00 0.45 H new ATOM 0 HA SER A 40 -7.865 7.030 0.265 1.00 0.37 H new ATOM 0 HB2 SER A 40 -9.199 8.386 -1.211 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.091 9.094 0.121 1.00 0.51 H new ATOM 585 N LEU A 41 -8.959 8.662 2.877 1.00 0.32 N ATOM 586 CA LEU A 41 -8.495 9.266 4.099 1.00 0.36 C ATOM 587 C LEU A 41 -7.837 8.227 5.036 1.00 0.33 C ATOM 588 O LEU A 41 -6.894 8.535 5.745 1.00 0.41 O ATOM 589 CB LEU A 41 -9.615 10.099 4.785 1.00 0.51 C ATOM 590 CG LEU A 41 -10.921 9.377 5.201 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.766 8.611 6.507 1.00 1.15 C ATOM 592 CD2 LEU A 41 -12.065 10.363 5.293 1.00 1.18 C ATOM 0 H LEU A 41 -9.973 8.637 2.765 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.707 9.976 3.846 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -9.189 10.555 5.678 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.885 10.911 4.110 1.00 0.51 H new ATOM 0 HG LEU A 41 -11.146 8.645 4.426 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.708 8.122 6.756 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -9.985 7.859 6.397 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.494 9.303 7.304 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.975 9.839 5.586 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.830 11.125 6.036 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -12.216 10.837 4.323 1.00 1.18 H new ATOM 604 N SER A 42 -8.299 6.990 4.973 1.00 0.31 N ATOM 605 CA SER A 42 -7.762 5.925 5.804 1.00 0.33 C ATOM 606 C SER A 42 -6.504 5.337 5.147 1.00 0.27 C ATOM 607 O SER A 42 -5.686 4.685 5.797 1.00 0.26 O ATOM 608 CB SER A 42 -8.813 4.826 5.966 1.00 0.45 C ATOM 609 OG SER A 42 -10.074 5.364 6.380 1.00 0.60 O ATOM 0 H SER A 42 -9.051 6.696 4.350 1.00 0.31 H new ATOM 0 HA SER A 42 -7.502 6.329 6.782 1.00 0.33 H new ATOM 0 HB2 SER A 42 -8.935 4.295 5.022 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.469 4.097 6.699 1.00 0.45 H new ATOM 0 HG SER A 42 -10.725 4.637 6.473 1.00 0.60 H new ATOM 615 N MET A 43 -6.363 5.599 3.855 1.00 0.27 N ATOM 616 CA MET A 43 -5.259 5.125 3.042 1.00 0.31 C ATOM 617 C MET A 43 -3.938 5.558 3.581 1.00 0.25 C ATOM 618 O MET A 43 -2.997 4.787 3.551 1.00 0.28 O ATOM 619 CB MET A 43 -5.392 5.602 1.601 1.00 0.46 C ATOM 620 CG MET A 43 -6.479 4.947 0.776 1.00 0.73 C ATOM 621 SD MET A 43 -5.993 3.389 0.006 1.00 0.86 S ATOM 622 CE MET A 43 -5.323 2.432 1.352 1.00 0.40 C ATOM 0 H MET A 43 -7.033 6.163 3.332 1.00 0.27 H new ATOM 0 HA MET A 43 -5.303 4.036 3.070 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.571 6.677 1.612 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.438 5.443 1.098 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.345 4.769 1.414 1.00 0.73 H new ATOM 0 HG3 MET A 43 -6.795 5.641 -0.003 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.377 1.371 1.107 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.283 2.714 1.516 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.899 2.625 2.257 1.00 0.40 H new ATOM 632 N VAL A 44 -3.881 6.786 4.092 1.00 0.22 N ATOM 633 CA VAL A 44 -2.650 7.358 4.645 1.00 0.22 C ATOM 634 C VAL A 44 -2.037 6.381 5.673 1.00 0.21 C ATOM 635 O VAL A 44 -0.855 6.015 5.585 1.00 0.26 O ATOM 636 CB VAL A 44 -2.935 8.705 5.358 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.652 9.305 5.911 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.606 9.684 4.419 1.00 0.30 C ATOM 0 H VAL A 44 -4.684 7.414 4.136 1.00 0.22 H new ATOM 0 HA VAL A 44 -1.958 7.528 3.820 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.612 8.505 6.188 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.876 10.249 6.407 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.207 8.615 6.628 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.951 9.481 5.095 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.795 10.620 4.944 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.956 9.872 3.564 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.551 9.266 4.072 1.00 0.30 H new ATOM 648 N GLU A 45 -2.882 5.944 6.616 1.00 0.19 N ATOM 649 CA GLU A 45 -2.509 5.002 7.686 1.00 0.18 C ATOM 650 C GLU A 45 -1.892 3.757 7.086 1.00 0.20 C ATOM 651 O GLU A 45 -0.831 3.317 7.498 1.00 0.25 O ATOM 652 CB GLU A 45 -3.756 4.548 8.425 1.00 0.17 C ATOM 653 CG GLU A 45 -4.631 5.646 8.954 1.00 0.29 C ATOM 654 CD GLU A 45 -3.999 6.444 10.057 1.00 0.46 C ATOM 655 OE1 GLU A 45 -4.142 6.078 11.246 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.309 7.433 9.747 1.00 0.58 O ATOM 0 H GLU A 45 -3.858 6.237 6.660 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.810 5.507 8.353 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.349 3.927 7.754 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.452 3.916 9.259 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -4.891 6.317 8.135 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.562 5.212 9.319 1.00 0.29 H new ATOM 663 N VAL A 46 -2.583 3.225 6.089 1.00 0.19 N ATOM 664 CA VAL A 46 -2.219 2.007 5.383 1.00 0.22 C ATOM 665 C VAL A 46 -0.825 2.124 4.738 1.00 0.20 C ATOM 666 O VAL A 46 -0.082 1.158 4.665 1.00 0.23 O ATOM 667 CB VAL A 46 -3.260 1.720 4.266 1.00 0.31 C ATOM 668 CG1 VAL A 46 -2.983 0.423 3.552 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.676 1.740 4.805 1.00 0.63 C ATOM 0 H VAL A 46 -3.443 3.645 5.737 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.202 1.195 6.110 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.162 2.525 3.537 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.736 0.265 2.780 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -1.995 0.464 3.092 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.017 -0.400 4.266 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.376 1.535 3.995 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.782 0.979 5.578 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -4.890 2.721 5.230 1.00 0.63 H new ATOM 679 N VAL A 47 -0.470 3.323 4.338 1.00 0.17 N ATOM 680 CA VAL A 47 0.791 3.557 3.626 1.00 0.18 C ATOM 681 C VAL A 47 1.903 3.533 4.615 1.00 0.19 C ATOM 682 O VAL A 47 2.936 2.888 4.407 1.00 0.21 O ATOM 683 CB VAL A 47 0.839 4.925 2.920 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.106 5.039 2.089 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.371 5.142 2.060 1.00 0.54 C ATOM 0 H VAL A 47 -1.030 4.162 4.488 1.00 0.17 H new ATOM 0 HA VAL A 47 0.880 2.777 2.869 1.00 0.18 H new ATOM 0 HB VAL A 47 0.843 5.700 3.687 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.130 6.010 1.594 1.00 0.55 H new ATOM 0 HG12 VAL A 47 2.977 4.940 2.737 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.121 4.249 1.339 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.304 6.117 1.577 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.421 4.363 1.299 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.268 5.104 2.678 1.00 0.54 H new ATOM 695 N VAL A 48 1.693 4.243 5.694 1.00 0.19 N ATOM 696 CA VAL A 48 2.658 4.292 6.743 1.00 0.23 C ATOM 697 C VAL A 48 2.800 2.894 7.334 1.00 0.23 C ATOM 698 O VAL A 48 3.899 2.445 7.619 1.00 0.35 O ATOM 699 CB VAL A 48 2.255 5.302 7.837 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.341 5.412 8.880 1.00 0.42 C ATOM 701 CG2 VAL A 48 1.962 6.669 7.231 1.00 0.33 C ATOM 0 H VAL A 48 0.853 4.796 5.862 1.00 0.19 H new ATOM 0 HA VAL A 48 3.612 4.627 6.335 1.00 0.23 H new ATOM 0 HB VAL A 48 1.346 4.939 8.317 1.00 0.31 H new ATOM 0 HG11 VAL A 48 3.040 6.129 9.644 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.503 4.437 9.340 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.265 5.749 8.409 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.680 7.365 8.021 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.852 7.040 6.722 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.144 6.582 6.515 1.00 0.33 H new ATOM 711 N ALA A 49 1.676 2.173 7.402 1.00 0.18 N ATOM 712 CA ALA A 49 1.673 0.849 7.939 1.00 0.18 C ATOM 713 C ALA A 49 2.472 -0.074 7.042 1.00 0.17 C ATOM 714 O ALA A 49 3.178 -0.978 7.511 1.00 0.21 O ATOM 715 CB ALA A 49 0.261 0.337 8.134 1.00 0.20 C ATOM 0 H ALA A 49 0.765 2.504 7.085 1.00 0.18 H new ATOM 0 HA ALA A 49 2.144 0.873 8.921 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.293 -0.673 8.544 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.271 0.992 8.824 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.257 0.323 7.175 1.00 0.20 H new ATOM 721 N ALA A 50 2.366 0.181 5.748 1.00 0.16 N ATOM 722 CA ALA A 50 3.092 -0.539 4.755 1.00 0.18 C ATOM 723 C ALA A 50 4.592 -0.353 4.967 1.00 0.18 C ATOM 724 O ALA A 50 5.305 -1.321 5.184 1.00 0.21 O ATOM 725 CB ALA A 50 2.664 -0.113 3.345 1.00 0.18 C ATOM 0 H ALA A 50 1.760 0.908 5.368 1.00 0.16 H new ATOM 0 HA ALA A 50 2.864 -1.600 4.853 1.00 0.18 H new ATOM 0 HB1 ALA A 50 3.233 -0.677 2.606 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.600 -0.311 3.212 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.854 0.952 3.213 1.00 0.18 H new ATOM 731 N GLU A 51 5.067 0.882 4.984 1.00 0.18 N ATOM 732 CA GLU A 51 6.495 1.104 5.164 1.00 0.23 C ATOM 733 C GLU A 51 7.011 0.615 6.516 1.00 0.23 C ATOM 734 O GLU A 51 8.131 0.102 6.605 1.00 0.30 O ATOM 735 CB GLU A 51 6.950 2.533 4.804 1.00 0.29 C ATOM 736 CG GLU A 51 6.210 3.651 5.451 1.00 0.31 C ATOM 737 CD GLU A 51 6.963 4.286 6.586 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.896 3.732 7.704 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.613 5.333 6.407 1.00 0.64 O ATOM 0 H GLU A 51 4.504 1.726 4.879 1.00 0.18 H new ATOM 0 HA GLU A 51 6.982 0.468 4.425 1.00 0.23 H new ATOM 0 HB2 GLU A 51 8.005 2.629 5.060 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.872 2.653 3.723 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.987 4.411 4.702 1.00 0.31 H new ATOM 0 HG3 GLU A 51 5.255 3.279 5.821 1.00 0.31 H new ATOM 746 N GLU A 52 6.177 0.705 7.540 1.00 0.22 N ATOM 747 CA GLU A 52 6.521 0.189 8.853 1.00 0.26 C ATOM 748 C GLU A 52 6.752 -1.315 8.834 1.00 0.24 C ATOM 749 O GLU A 52 7.681 -1.812 9.476 1.00 0.35 O ATOM 750 CB GLU A 52 5.470 0.536 9.900 1.00 0.33 C ATOM 751 CG GLU A 52 5.436 1.994 10.288 1.00 0.46 C ATOM 752 CD GLU A 52 4.425 2.268 11.365 1.00 1.20 C ATOM 753 OE1 GLU A 52 4.645 1.895 12.520 1.00 1.50 O ATOM 754 OE2 GLU A 52 3.371 2.893 11.067 1.00 2.07 O ATOM 0 H GLU A 52 5.253 1.133 7.485 1.00 0.22 H new ATOM 0 HA GLU A 52 7.455 0.678 9.130 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.489 0.250 9.521 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.653 -0.061 10.793 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.424 2.300 10.632 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.203 2.597 9.410 1.00 0.46 H new ATOM 761 N ARG A 53 5.933 -2.036 8.100 1.00 0.18 N ATOM 762 CA ARG A 53 6.068 -3.475 8.048 1.00 0.21 C ATOM 763 C ARG A 53 7.112 -3.918 7.004 1.00 0.24 C ATOM 764 O ARG A 53 7.890 -4.832 7.247 1.00 0.37 O ATOM 765 CB ARG A 53 4.705 -4.168 7.782 1.00 0.25 C ATOM 766 CG ARG A 53 4.818 -5.690 7.713 1.00 0.41 C ATOM 767 CD ARG A 53 3.501 -6.401 7.424 1.00 0.49 C ATOM 768 NE ARG A 53 3.745 -7.842 7.217 1.00 1.36 N ATOM 769 CZ ARG A 53 2.810 -8.790 7.077 1.00 1.55 C ATOM 770 NH1 ARG A 53 1.536 -8.547 7.391 1.00 1.19 N ATOM 771 NH2 ARG A 53 3.154 -9.994 6.625 1.00 2.48 N ATOM 0 H ARG A 53 5.174 -1.654 7.536 1.00 0.18 H new ATOM 0 HA ARG A 53 6.423 -3.790 9.029 1.00 0.21 H new ATOM 0 HB2 ARG A 53 4.004 -3.896 8.571 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.290 -3.796 6.845 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.539 -5.955 6.939 1.00 0.41 H new ATOM 0 HG3 ARG A 53 5.216 -6.057 8.659 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.809 -6.256 8.254 1.00 0.49 H new ATOM 0 HD3 ARG A 53 3.032 -5.971 6.539 1.00 0.49 H new ATOM 0 HE ARG A 53 4.718 -8.144 7.177 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.264 -7.629 7.743 1.00 1.19 H new ATOM 0 HH12 ARG A 53 0.835 -9.279 7.279 1.00 1.19 H new ATOM 0 HH21 ARG A 53 4.126 -10.191 6.387 1.00 2.48 H new ATOM 0 HH22 ARG A 53 2.445 -10.720 6.517 1.00 2.48 H new ATOM 785 N PHE A 54 7.161 -3.235 5.872 1.00 0.20 N ATOM 786 CA PHE A 54 7.982 -3.709 4.739 1.00 0.26 C ATOM 787 C PHE A 54 9.330 -3.042 4.668 1.00 0.37 C ATOM 788 O PHE A 54 9.951 -3.006 3.612 1.00 0.81 O ATOM 789 CB PHE A 54 7.236 -3.529 3.424 1.00 0.18 C ATOM 790 CG PHE A 54 5.842 -3.986 3.510 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.559 -5.198 4.052 1.00 0.27 C ATOM 792 CD2 PHE A 54 4.824 -3.235 2.984 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.290 -5.664 4.080 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.554 -3.697 2.999 1.00 0.29 C ATOM 795 CZ PHE A 54 3.237 -4.744 3.789 1.00 0.33 C ATOM 0 H PHE A 54 6.657 -2.365 5.701 1.00 0.20 H new ATOM 0 HA PHE A 54 8.163 -4.770 4.912 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.255 -2.477 3.138 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.750 -4.082 2.638 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.357 -5.797 4.466 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.038 -2.267 2.555 1.00 0.19 H new ATOM 0 HE1 PHE A 54 4.080 -6.697 4.315 1.00 0.36 H new ATOM 0 HE2 PHE A 54 2.798 -3.232 2.383 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.240 -4.879 4.181 1.00 0.33 H new ATOM 805 N ASP A 55 9.744 -2.489 5.776 1.00 0.23 N ATOM 806 CA ASP A 55 11.132 -1.935 5.971 1.00 0.30 C ATOM 807 C ASP A 55 11.437 -0.646 5.156 1.00 0.21 C ATOM 808 O ASP A 55 12.507 -0.044 5.294 1.00 0.44 O ATOM 809 CB ASP A 55 12.195 -3.055 5.700 1.00 0.60 C ATOM 810 CG ASP A 55 13.660 -2.642 5.834 1.00 1.22 C ATOM 811 OD1 ASP A 55 14.073 -2.215 6.941 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.407 -2.669 4.821 1.00 1.99 O ATOM 0 H ASP A 55 9.150 -2.391 6.600 1.00 0.23 H new ATOM 0 HA ASP A 55 11.191 -1.616 7.012 1.00 0.30 H new ATOM 0 HB2 ASP A 55 12.007 -3.879 6.388 1.00 0.60 H new ATOM 0 HB3 ASP A 55 12.038 -3.439 4.692 1.00 0.60 H new ATOM 817 N VAL A 56 10.510 -0.179 4.356 1.00 0.17 N ATOM 818 CA VAL A 56 10.781 1.001 3.571 1.00 0.21 C ATOM 819 C VAL A 56 10.376 2.244 4.383 1.00 0.20 C ATOM 820 O VAL A 56 9.925 2.123 5.521 1.00 0.21 O ATOM 821 CB VAL A 56 10.036 0.946 2.181 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.556 1.105 2.327 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.586 1.920 1.163 1.00 0.37 C ATOM 0 H VAL A 56 9.583 -0.585 4.232 1.00 0.17 H new ATOM 0 HA VAL A 56 11.847 1.053 3.351 1.00 0.21 H new ATOM 0 HB VAL A 56 10.232 -0.053 1.792 1.00 0.27 H new ATOM 0 HG11 VAL A 56 8.087 1.061 1.344 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.164 0.303 2.953 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.337 2.067 2.790 1.00 0.29 H new ATOM 0 HG21 VAL A 56 10.027 1.828 0.232 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.491 2.937 1.544 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.637 1.699 0.978 1.00 0.37 H new ATOM 833 N LYS A 57 10.574 3.391 3.846 1.00 0.25 N ATOM 834 CA LYS A 57 10.065 4.583 4.406 1.00 0.25 C ATOM 835 C LYS A 57 9.412 5.326 3.276 1.00 0.22 C ATOM 836 O LYS A 57 10.010 5.459 2.194 1.00 0.28 O ATOM 837 CB LYS A 57 11.157 5.425 4.987 1.00 0.33 C ATOM 838 CG LYS A 57 10.609 6.614 5.735 1.00 0.44 C ATOM 839 CD LYS A 57 11.535 7.766 5.665 1.00 0.89 C ATOM 840 CE LYS A 57 11.598 8.310 4.246 1.00 1.46 C ATOM 841 NZ LYS A 57 12.559 9.418 4.124 1.00 2.12 N ATOM 0 H LYS A 57 11.106 3.528 2.987 1.00 0.25 H new ATOM 0 HA LYS A 57 9.369 4.357 5.214 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.763 4.820 5.661 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.815 5.769 4.189 1.00 0.33 H new ATOM 0 HG2 LYS A 57 9.643 6.896 5.317 1.00 0.44 H new ATOM 0 HG3 LYS A 57 10.439 6.344 6.777 1.00 0.44 H new ATOM 0 HD2 LYS A 57 11.204 8.549 6.347 1.00 0.89 H new ATOM 0 HD3 LYS A 57 12.530 7.461 5.989 1.00 0.89 H new ATOM 0 HE2 LYS A 57 11.879 7.509 3.562 1.00 1.46 H new ATOM 0 HE3 LYS A 57 10.608 8.653 3.945 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 12.572 9.760 3.142 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 12.277 10.193 4.757 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 13.508 9.085 4.387 1.00 2.12 H new ATOM 855 N ILE A 58 8.219 5.782 3.480 1.00 0.20 N ATOM 856 CA ILE A 58 7.494 6.436 2.420 1.00 0.19 C ATOM 857 C ILE A 58 7.138 7.861 2.827 1.00 0.21 C ATOM 858 O ILE A 58 6.393 8.061 3.787 1.00 0.25 O ATOM 859 CB ILE A 58 6.205 5.642 2.045 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.570 4.197 1.660 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.478 6.320 0.893 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.386 3.302 1.362 1.00 0.24 C ATOM 0 H ILE A 58 7.719 5.718 4.367 1.00 0.20 H new ATOM 0 HA ILE A 58 8.137 6.468 1.540 1.00 0.19 H new ATOM 0 HB ILE A 58 5.543 5.624 2.911 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.218 4.222 0.784 1.00 0.22 H new ATOM 0 HG13 ILE A 58 7.147 3.754 2.472 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.581 5.753 0.644 1.00 0.20 H new ATOM 0 HG22 ILE A 58 5.198 7.332 1.185 1.00 0.20 H new ATOM 0 HG23 ILE A 58 6.134 6.362 0.023 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.740 2.305 1.101 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.746 3.241 2.242 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.818 3.715 0.528 1.00 0.24 H new ATOM 874 N PRO A 59 7.701 8.870 2.125 1.00 0.23 N ATOM 875 CA PRO A 59 7.404 10.290 2.378 1.00 0.28 C ATOM 876 C PRO A 59 5.947 10.588 2.125 1.00 0.24 C ATOM 877 O PRO A 59 5.310 9.902 1.313 1.00 0.21 O ATOM 878 CB PRO A 59 8.231 11.024 1.315 1.00 0.33 C ATOM 879 CG PRO A 59 8.483 9.998 0.278 1.00 0.30 C ATOM 880 CD PRO A 59 8.663 8.718 1.028 1.00 0.25 C ATOM 0 HA PRO A 59 7.628 10.577 3.405 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.689 11.877 0.908 1.00 0.33 H new ATOM 0 HB3 PRO A 59 9.163 11.408 1.730 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.649 9.931 -0.420 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.370 10.239 -0.307 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.442 7.848 0.409 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.683 8.599 1.393 1.00 0.25 H new ATOM 888 N ASP A 60 5.433 11.628 2.766 1.00 0.30 N ATOM 889 CA ASP A 60 4.029 12.037 2.608 1.00 0.34 C ATOM 890 C ASP A 60 3.665 12.271 1.142 1.00 0.31 C ATOM 891 O ASP A 60 2.513 12.060 0.754 1.00 0.36 O ATOM 892 CB ASP A 60 3.674 13.277 3.459 1.00 0.51 C ATOM 893 CG ASP A 60 4.351 14.551 3.011 1.00 1.25 C ATOM 894 OD1 ASP A 60 5.531 14.756 3.352 1.00 1.98 O ATOM 895 OD2 ASP A 60 3.719 15.375 2.324 1.00 1.92 O ATOM 0 H ASP A 60 5.967 12.214 3.408 1.00 0.30 H new ATOM 0 HA ASP A 60 3.431 11.204 2.978 1.00 0.34 H new ATOM 0 HB2 ASP A 60 2.594 13.424 3.433 1.00 0.51 H new ATOM 0 HB3 ASP A 60 3.944 13.081 4.497 1.00 0.51 H new ATOM 900 N ASP A 61 4.643 12.667 0.317 1.00 0.30 N ATOM 901 CA ASP A 61 4.382 12.838 -1.109 1.00 0.37 C ATOM 902 C ASP A 61 4.252 11.507 -1.806 1.00 0.33 C ATOM 903 O ASP A 61 3.408 11.338 -2.646 1.00 0.46 O ATOM 904 CB ASP A 61 5.435 13.670 -1.833 1.00 0.50 C ATOM 905 CG ASP A 61 5.075 13.837 -3.309 1.00 1.16 C ATOM 906 OD1 ASP A 61 4.192 14.681 -3.630 1.00 1.16 O ATOM 907 OD2 ASP A 61 5.637 13.123 -4.165 1.00 2.06 O ATOM 0 H ASP A 61 5.599 12.870 0.608 1.00 0.30 H new ATOM 0 HA ASP A 61 3.440 13.384 -1.157 1.00 0.37 H new ATOM 0 HB2 ASP A 61 5.518 14.649 -1.361 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.409 13.189 -1.744 1.00 0.50 H new ATOM 912 N ASP A 62 5.060 10.550 -1.449 1.00 0.25 N ATOM 913 CA ASP A 62 4.972 9.260 -2.116 1.00 0.25 C ATOM 914 C ASP A 62 3.828 8.448 -1.639 1.00 0.23 C ATOM 915 O ASP A 62 3.329 7.601 -2.363 1.00 0.28 O ATOM 916 CB ASP A 62 6.257 8.483 -2.140 1.00 0.26 C ATOM 917 CG ASP A 62 7.168 8.964 -3.233 1.00 0.36 C ATOM 918 OD1 ASP A 62 6.811 8.814 -4.408 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.249 9.505 -2.942 1.00 0.44 O ATOM 0 H ASP A 62 5.772 10.622 -0.722 1.00 0.25 H new ATOM 0 HA ASP A 62 4.775 9.504 -3.160 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.759 8.578 -1.177 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.041 7.424 -2.284 1.00 0.26 H new ATOM 924 N VAL A 63 3.394 8.730 -0.422 1.00 0.22 N ATOM 925 CA VAL A 63 2.171 8.162 0.135 1.00 0.26 C ATOM 926 C VAL A 63 1.032 8.406 -0.873 1.00 0.29 C ATOM 927 O VAL A 63 0.358 7.485 -1.293 1.00 0.38 O ATOM 928 CB VAL A 63 1.843 8.855 1.512 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.492 8.456 2.036 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.890 8.520 2.558 1.00 0.27 C ATOM 0 H VAL A 63 3.881 9.362 0.213 1.00 0.22 H new ATOM 0 HA VAL A 63 2.289 7.093 0.311 1.00 0.26 H new ATOM 0 HB VAL A 63 1.844 9.928 1.322 1.00 0.27 H new ATOM 0 HG11 VAL A 63 0.308 8.957 2.986 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.276 8.745 1.319 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.463 7.376 2.184 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.637 9.012 3.497 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.920 7.441 2.710 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.867 8.866 2.219 1.00 0.27 H new ATOM 940 N LYS A 64 0.918 9.649 -1.315 1.00 0.27 N ATOM 941 CA LYS A 64 -0.117 10.066 -2.282 1.00 0.34 C ATOM 942 C LYS A 64 0.207 9.664 -3.743 1.00 0.32 C ATOM 943 O LYS A 64 -0.581 9.938 -4.650 1.00 0.38 O ATOM 944 CB LYS A 64 -0.391 11.588 -2.197 1.00 0.44 C ATOM 945 CG LYS A 64 0.863 12.411 -2.030 1.00 0.83 C ATOM 946 CD LYS A 64 0.717 13.875 -2.373 1.00 0.73 C ATOM 947 CE LYS A 64 0.621 14.101 -3.888 1.00 1.59 C ATOM 948 NZ LYS A 64 1.869 13.702 -4.604 1.00 2.16 N ATOM 0 H LYS A 64 1.535 10.406 -1.021 1.00 0.27 H new ATOM 0 HA LYS A 64 -1.018 9.524 -1.995 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -0.910 11.908 -3.101 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -1.060 11.784 -1.359 1.00 0.44 H new ATOM 0 HG2 LYS A 64 1.199 12.327 -0.997 1.00 0.83 H new ATOM 0 HG3 LYS A 64 1.646 11.983 -2.656 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -0.175 14.274 -1.889 1.00 0.73 H new ATOM 0 HD3 LYS A 64 1.569 14.427 -1.977 1.00 0.73 H new ATOM 0 HE2 LYS A 64 -0.220 13.532 -4.285 1.00 1.59 H new ATOM 0 HE3 LYS A 64 0.414 15.153 -4.083 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 1.960 14.257 -5.479 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 2.692 13.881 -3.994 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 1.826 12.690 -4.839 1.00 2.16 H new ATOM 962 N ASN A 65 1.353 9.048 -3.980 1.00 0.26 N ATOM 963 CA ASN A 65 1.753 8.690 -5.320 1.00 0.29 C ATOM 964 C ASN A 65 1.435 7.265 -5.591 1.00 0.28 C ATOM 965 O ASN A 65 1.416 6.827 -6.744 1.00 0.42 O ATOM 966 CB ASN A 65 3.223 8.899 -5.521 1.00 0.36 C ATOM 967 CG ASN A 65 3.635 10.360 -5.443 1.00 0.90 C ATOM 968 OD1 ASN A 65 2.823 11.269 -5.704 1.00 1.59 O ATOM 969 ND2 ASN A 65 4.874 10.616 -5.113 1.00 1.43 N ATOM 0 H ASN A 65 2.021 8.787 -3.255 1.00 0.26 H new ATOM 0 HA ASN A 65 1.203 9.333 -6.007 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.771 8.333 -4.767 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.511 8.498 -6.493 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.200 11.581 -5.064 1.00 1.43 H new ATOM 0 HD22 ASN A 65 5.515 9.850 -4.905 1.00 1.43 H new ATOM 976 N LEU A 66 1.204 6.538 -4.542 1.00 0.21 N ATOM 977 CA LEU A 66 0.823 5.204 -4.641 1.00 0.23 C ATOM 978 C LEU A 66 -0.671 5.267 -4.764 1.00 0.25 C ATOM 979 O LEU A 66 -1.314 6.012 -4.039 1.00 0.31 O ATOM 980 CB LEU A 66 1.198 4.422 -3.350 1.00 0.22 C ATOM 981 CG LEU A 66 2.622 4.623 -2.766 1.00 0.21 C ATOM 982 CD1 LEU A 66 2.870 3.699 -1.585 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.696 4.432 -3.811 1.00 0.23 C ATOM 0 H LEU A 66 1.282 6.882 -3.585 1.00 0.21 H new ATOM 0 HA LEU A 66 1.311 4.698 -5.474 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.479 4.690 -2.576 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.067 3.359 -3.553 1.00 0.22 H new ATOM 0 HG LEU A 66 2.674 5.655 -2.418 1.00 0.21 H new ATOM 0 HD11 LEU A 66 3.876 3.864 -1.199 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.142 3.907 -0.801 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.771 2.662 -1.907 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.676 4.582 -3.358 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.634 3.422 -4.216 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.554 5.154 -4.615 1.00 0.23 H new ATOM 995 N LYS A 67 -1.203 4.632 -5.724 1.00 0.28 N ATOM 996 CA LYS A 67 -2.656 4.557 -5.821 1.00 0.34 C ATOM 997 C LYS A 67 -3.056 3.105 -5.764 1.00 0.30 C ATOM 998 O LYS A 67 -4.027 2.720 -5.091 1.00 0.38 O ATOM 999 CB LYS A 67 -3.239 5.214 -7.104 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.863 6.678 -7.342 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.500 6.823 -8.003 1.00 1.26 C ATOM 1002 CE LYS A 67 -1.094 8.282 -8.153 1.00 1.83 C ATOM 1003 NZ LYS A 67 -2.115 9.076 -8.864 1.00 2.55 N ATOM 0 H LYS A 67 -0.690 4.151 -6.463 1.00 0.28 H new ATOM 0 HA LYS A 67 -3.068 5.124 -4.986 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -2.913 4.632 -7.966 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -4.326 5.141 -7.063 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -3.620 7.148 -7.969 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -2.862 7.210 -6.391 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -0.751 6.297 -7.410 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -1.520 6.349 -8.984 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -0.924 8.713 -7.166 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -0.149 8.340 -8.694 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 -1.728 10.014 -9.092 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 -2.384 8.589 -9.743 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -2.954 9.185 -8.259 1.00 2.55 H new ATOM 1017 N THR A 68 -2.300 2.292 -6.462 1.00 0.23 N ATOM 1018 CA THR A 68 -2.515 0.898 -6.477 1.00 0.19 C ATOM 1019 C THR A 68 -1.503 0.243 -5.595 1.00 0.18 C ATOM 1020 O THR A 68 -0.560 0.900 -5.121 1.00 0.20 O ATOM 1021 CB THR A 68 -2.354 0.304 -7.889 1.00 0.18 C ATOM 1022 OG1 THR A 68 -0.996 0.453 -8.322 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.273 0.978 -8.884 1.00 0.22 C ATOM 0 H THR A 68 -1.515 2.601 -7.035 1.00 0.23 H new ATOM 0 HA THR A 68 -3.534 0.719 -6.133 1.00 0.19 H new ATOM 0 HB THR A 68 -2.620 -0.752 -7.840 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.895 0.073 -9.220 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.132 0.533 -9.869 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.309 0.845 -8.571 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.042 2.042 -8.930 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.624 -1.057 -5.413 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.620 -1.757 -4.690 1.00 0.18 C ATOM 1033 C VAL A 69 0.515 -2.040 -5.636 1.00 0.15 C ATOM 1034 O VAL A 69 1.623 -2.291 -5.232 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.147 -3.035 -3.934 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.644 -3.166 -4.070 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.450 -4.321 -4.335 1.00 1.21 C ATOM 0 H VAL A 69 -2.398 -1.628 -5.754 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.265 -1.128 -3.874 1.00 0.18 H new ATOM 0 HB VAL A 69 -0.898 -2.880 -2.884 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -2.981 -4.056 -3.539 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.126 -2.286 -3.645 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.908 -3.251 -5.124 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -0.870 -5.154 -3.770 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.595 -4.496 -5.401 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.616 -4.239 -4.122 1.00 1.21 H new ATOM 1047 N GLY A 70 0.235 -1.856 -6.917 1.00 0.14 N ATOM 1048 CA GLY A 70 1.247 -2.062 -7.914 1.00 0.16 C ATOM 1049 C GLY A 70 2.242 -0.931 -7.903 1.00 0.19 C ATOM 1050 O GLY A 70 3.385 -1.099 -8.303 1.00 0.33 O ATOM 0 H GLY A 70 -0.675 -1.568 -7.277 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.760 -3.006 -7.730 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.785 -2.137 -8.898 1.00 0.16 H new ATOM 1054 N ASP A 71 1.802 0.236 -7.476 1.00 0.17 N ATOM 1055 CA ASP A 71 2.724 1.339 -7.327 1.00 0.20 C ATOM 1056 C ASP A 71 3.402 1.218 -5.989 1.00 0.17 C ATOM 1057 O ASP A 71 4.619 1.272 -5.890 1.00 0.20 O ATOM 1058 CB ASP A 71 2.039 2.691 -7.388 1.00 0.32 C ATOM 1059 CG ASP A 71 3.036 3.765 -7.755 1.00 0.87 C ATOM 1060 OD1 ASP A 71 3.328 3.948 -8.913 1.00 1.39 O ATOM 1061 OD2 ASP A 71 3.496 4.499 -6.852 1.00 1.28 O ATOM 0 H ASP A 71 0.833 0.441 -7.231 1.00 0.17 H new ATOM 0 HA ASP A 71 3.432 1.286 -8.154 1.00 0.20 H new ATOM 0 HB2 ASP A 71 1.234 2.666 -8.122 1.00 0.32 H new ATOM 0 HB3 ASP A 71 1.585 2.920 -6.424 1.00 0.32 H new ATOM 1066 N ALA A 72 2.566 1.001 -4.975 1.00 0.15 N ATOM 1067 CA ALA A 72 2.961 0.900 -3.565 1.00 0.13 C ATOM 1068 C ALA A 72 4.068 -0.069 -3.370 1.00 0.12 C ATOM 1069 O ALA A 72 5.143 0.295 -2.943 1.00 0.14 O ATOM 1070 CB ALA A 72 1.778 0.412 -2.725 1.00 0.13 C ATOM 0 H ALA A 72 1.562 0.886 -5.113 1.00 0.15 H new ATOM 0 HA ALA A 72 3.287 1.893 -3.256 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.079 0.340 -1.680 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.951 1.117 -2.817 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.460 -0.568 -3.080 1.00 0.13 H new ATOM 1076 N THR A 73 3.805 -1.289 -3.740 1.00 0.11 N ATOM 1077 CA THR A 73 4.694 -2.385 -3.512 1.00 0.13 C ATOM 1078 C THR A 73 6.073 -2.128 -4.130 1.00 0.16 C ATOM 1079 O THR A 73 7.075 -2.119 -3.420 1.00 0.24 O ATOM 1080 CB THR A 73 4.064 -3.646 -4.061 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.784 -3.802 -3.444 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.900 -4.823 -3.737 1.00 0.17 C ATOM 0 H THR A 73 2.945 -1.553 -4.220 1.00 0.11 H new ATOM 0 HA THR A 73 4.855 -2.502 -2.440 1.00 0.13 H new ATOM 0 HB THR A 73 3.972 -3.570 -5.144 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.136 -3.211 -3.881 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.433 -5.722 -4.139 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.889 -4.699 -4.178 1.00 0.17 H new ATOM 0 HG23 THR A 73 4.994 -4.916 -2.655 1.00 0.17 H new ATOM 1090 N LYS A 74 6.089 -1.973 -5.434 1.00 0.17 N ATOM 1091 CA LYS A 74 7.199 -1.561 -6.235 1.00 0.20 C ATOM 1092 C LYS A 74 7.975 -0.443 -5.572 1.00 0.23 C ATOM 1093 O LYS A 74 9.171 -0.518 -5.460 1.00 0.45 O ATOM 1094 CB LYS A 74 6.620 -1.153 -7.613 1.00 0.25 C ATOM 1095 CG LYS A 74 7.534 -0.387 -8.552 1.00 0.98 C ATOM 1096 CD LYS A 74 7.411 1.108 -8.321 1.00 2.21 C ATOM 1097 CE LYS A 74 6.072 1.661 -8.794 1.00 2.92 C ATOM 1098 NZ LYS A 74 6.006 3.139 -8.673 1.00 3.63 N ATOM 0 H LYS A 74 5.257 -2.148 -5.998 1.00 0.17 H new ATOM 0 HA LYS A 74 7.921 -2.369 -6.358 1.00 0.20 H new ATOM 0 HB2 LYS A 74 6.294 -2.059 -8.124 1.00 0.25 H new ATOM 0 HB3 LYS A 74 5.730 -0.548 -7.439 1.00 0.25 H new ATOM 0 HG2 LYS A 74 8.567 -0.700 -8.398 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.281 -0.622 -9.586 1.00 0.98 H new ATOM 0 HD2 LYS A 74 7.534 1.320 -7.259 1.00 2.21 H new ATOM 0 HD3 LYS A 74 8.218 1.621 -8.844 1.00 2.21 H new ATOM 0 HE2 LYS A 74 5.908 1.375 -9.833 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.268 1.213 -8.210 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 5.085 3.475 -9.021 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 6.119 3.411 -7.676 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 6.767 3.568 -9.237 1.00 3.63 H new ATOM 1112 N TYR A 75 7.274 0.546 -5.086 1.00 0.16 N ATOM 1113 CA TYR A 75 7.890 1.681 -4.455 1.00 0.16 C ATOM 1114 C TYR A 75 8.634 1.251 -3.211 1.00 0.16 C ATOM 1115 O TYR A 75 9.796 1.620 -2.997 1.00 0.19 O ATOM 1116 CB TYR A 75 6.844 2.704 -4.075 1.00 0.16 C ATOM 1117 CG TYR A 75 7.455 3.916 -3.449 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.061 4.875 -4.234 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.368 4.135 -2.089 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.560 6.017 -3.692 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.876 5.272 -1.528 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.692 6.073 -2.264 1.00 0.28 C ATOM 1123 OH TYR A 75 8.961 7.379 -1.769 1.00 0.40 O ATOM 0 H TYR A 75 6.255 0.587 -5.117 1.00 0.16 H new ATOM 0 HA TYR A 75 8.591 2.124 -5.163 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.283 2.997 -4.962 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.133 2.256 -3.381 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.140 4.715 -5.299 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.892 3.397 -1.460 1.00 0.21 H new ATOM 0 HE1 TYR A 75 8.847 6.852 -4.314 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.632 5.533 -0.509 1.00 0.26 H new ATOM 0 HH TYR A 75 9.181 7.973 -2.517 1.00 0.40 H new ATOM 1133 N ILE A 76 7.955 0.456 -2.425 1.00 0.14 N ATOM 1134 CA ILE A 76 8.448 -0.046 -1.187 1.00 0.16 C ATOM 1135 C ILE A 76 9.691 -0.864 -1.441 1.00 0.17 C ATOM 1136 O ILE A 76 10.789 -0.450 -1.094 1.00 0.21 O ATOM 1137 CB ILE A 76 7.351 -0.934 -0.548 1.00 0.15 C ATOM 1138 CG1 ILE A 76 6.170 -0.074 -0.129 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.884 -1.716 0.639 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.893 -0.849 0.058 1.00 0.13 C ATOM 0 H ILE A 76 7.012 0.135 -2.645 1.00 0.14 H new ATOM 0 HA ILE A 76 8.696 0.775 -0.514 1.00 0.16 H new ATOM 0 HB ILE A 76 7.024 -1.657 -1.295 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.415 0.435 0.803 1.00 0.13 H new ATOM 0 HG13 ILE A 76 6.009 0.698 -0.881 1.00 0.13 H new ATOM 0 HG21 ILE A 76 7.086 -2.327 1.060 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.701 -2.360 0.313 1.00 0.19 H new ATOM 0 HG23 ILE A 76 8.249 -1.023 1.397 1.00 0.19 H new ATOM 0 HD11 ILE A 76 4.095 -0.169 0.357 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.623 -1.337 -0.879 1.00 0.13 H new ATOM 0 HD13 ILE A 76 5.035 -1.603 0.832 1.00 0.13 H new ATOM 1152 N LEU A 77 9.521 -1.973 -2.120 1.00 0.17 N ATOM 1153 CA LEU A 77 10.581 -2.905 -2.346 1.00 0.20 C ATOM 1154 C LEU A 77 11.774 -2.328 -3.066 1.00 0.22 C ATOM 1155 O LEU A 77 12.920 -2.647 -2.752 1.00 0.29 O ATOM 1156 CB LEU A 77 10.057 -4.149 -3.013 1.00 0.23 C ATOM 1157 CG LEU A 77 9.348 -4.002 -4.323 1.00 0.78 C ATOM 1158 CD1 LEU A 77 10.303 -3.950 -5.514 1.00 1.08 C ATOM 1159 CD2 LEU A 77 8.340 -5.076 -4.473 1.00 1.44 C ATOM 0 H LEU A 77 8.630 -2.250 -2.533 1.00 0.17 H new ATOM 0 HA LEU A 77 10.966 -3.174 -1.362 1.00 0.20 H new ATOM 0 HB2 LEU A 77 10.898 -4.826 -3.163 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.375 -4.638 -2.318 1.00 0.23 H new ATOM 0 HG LEU A 77 8.838 -3.039 -4.316 1.00 0.78 H new ATOM 0 HD11 LEU A 77 9.730 -3.843 -6.435 1.00 1.08 H new ATOM 0 HD12 LEU A 77 10.976 -3.100 -5.404 1.00 1.08 H new ATOM 0 HD13 LEU A 77 10.885 -4.871 -5.554 1.00 1.08 H new ATOM 0 HD21 LEU A 77 7.828 -4.963 -5.428 1.00 1.44 H new ATOM 0 HD22 LEU A 77 8.835 -6.047 -4.439 1.00 1.44 H new ATOM 0 HD23 LEU A 77 7.615 -5.010 -3.662 1.00 1.44 H new ATOM 1171 N ASP A 78 11.513 -1.456 -3.986 1.00 0.22 N ATOM 1172 CA ASP A 78 12.557 -0.884 -4.796 1.00 0.29 C ATOM 1173 C ASP A 78 13.362 0.149 -4.026 1.00 0.30 C ATOM 1174 O ASP A 78 14.526 0.396 -4.320 1.00 0.36 O ATOM 1175 CB ASP A 78 11.991 -0.365 -6.128 1.00 0.45 C ATOM 1176 CG ASP A 78 12.978 0.422 -6.955 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.761 -0.200 -7.715 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.983 1.663 -6.894 1.00 0.59 O ATOM 0 H ASP A 78 10.576 -1.117 -4.202 1.00 0.22 H new ATOM 0 HA ASP A 78 13.269 -1.668 -5.053 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.637 -1.213 -6.715 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.125 0.263 -5.921 1.00 0.45 H new ATOM 1183 N HIS A 79 12.763 0.694 -2.995 1.00 0.29 N ATOM 1184 CA HIS A 79 13.449 1.651 -2.151 1.00 0.36 C ATOM 1185 C HIS A 79 14.135 1.003 -0.958 1.00 0.42 C ATOM 1186 O HIS A 79 15.092 1.558 -0.427 1.00 0.58 O ATOM 1187 CB HIS A 79 12.529 2.781 -1.694 1.00 0.38 C ATOM 1188 CG HIS A 79 12.358 3.879 -2.696 1.00 0.61 C ATOM 1189 ND1 HIS A 79 12.311 5.201 -2.343 1.00 0.99 N ATOM 1190 CD2 HIS A 79 12.246 3.847 -4.044 1.00 0.87 C ATOM 1191 CE1 HIS A 79 12.187 5.939 -3.421 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.145 5.142 -4.474 1.00 1.18 N ATOM 0 H HIS A 79 11.802 0.493 -2.718 1.00 0.29 H new ATOM 0 HA HIS A 79 14.230 2.084 -2.777 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.550 2.364 -1.459 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.925 3.205 -0.771 1.00 0.38 H new ATOM 0 HD2 HIS A 79 12.238 2.964 -4.665 1.00 0.87 H new ATOM 0 HE1 HIS A 79 12.129 7.017 -3.444 1.00 1.25 H new ATOM 0 HE2 HIS A 79 12.053 5.442 -5.445 1.00 1.18 H new ATOM 1201 N GLN A 80 13.672 -0.162 -0.518 1.00 0.39 N ATOM 1202 CA GLN A 80 14.321 -0.775 0.646 1.00 0.49 C ATOM 1203 C GLN A 80 15.440 -1.699 0.356 1.00 0.58 C ATOM 1204 O GLN A 80 16.554 -1.528 0.855 1.00 0.83 O ATOM 1205 CB GLN A 80 13.379 -1.292 1.730 1.00 0.67 C ATOM 1206 CG GLN A 80 12.004 -1.724 1.285 1.00 0.52 C ATOM 1207 CD GLN A 80 11.865 -3.119 0.762 1.00 0.57 C ATOM 1208 OE1 GLN A 80 12.763 -3.704 0.204 1.00 0.87 O ATOM 1209 NE2 GLN A 80 10.709 -3.642 0.925 1.00 0.56 N ATOM 0 H GLN A 80 12.892 -0.682 -0.920 1.00 0.39 H new ATOM 0 HA GLN A 80 14.805 0.094 1.091 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.859 -2.138 2.222 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.263 -0.510 2.481 1.00 0.67 H new ATOM 0 HG2 GLN A 80 11.324 -1.610 2.129 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.668 -1.036 0.509 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.975 -3.118 1.401 1.00 0.56 H new ATOM 0 HE22 GLN A 80 10.522 -4.583 0.579 1.00 0.56 H new ATOM 1218 N ALA A 81 15.171 -2.642 -0.394 1.00 0.71 N ATOM 1219 CA ALA A 81 16.144 -3.615 -0.734 1.00 1.01 C ATOM 1220 C ALA A 81 16.384 -3.623 -2.226 1.00 1.44 C ATOM 1221 O ALA A 81 17.227 -2.842 -2.704 1.00 1.97 O ATOM 1222 CB ALA A 81 15.743 -4.983 -0.224 1.00 1.30 C ATOM 1223 OXT ALA A 81 15.712 -4.385 -2.941 1.00 1.97 O ATOM 0 H ALA A 81 14.255 -2.793 -0.817 1.00 0.71 H new ATOM 0 HA ALA A 81 17.083 -3.351 -0.247 1.00 1.01 H new ATOM 0 HB1 ALA A 81 16.506 -5.712 -0.498 1.00 1.30 H new ATOM 0 HB2 ALA A 81 15.644 -4.952 0.861 1.00 1.30 H new ATOM 0 HB3 ALA A 81 14.790 -5.272 -0.667 1.00 1.30 H new TER 1229 ALA A 81 HETATM 1230 C1 SYO A 101 -2.908 7.482 0.469 1.00 0.56 C HETATM 1231 S1 SYO A 101 -2.503 9.177 0.965 1.00 0.76 S HETATM 1232 C2 SYO A 101 -2.646 7.144 -0.970 1.00 0.69 C HETATM 1233 C3 SYO A 101 -3.121 5.788 -1.331 1.00 0.54 C HETATM 1234 O3 SYO A 101 -4.324 5.555 -1.484 1.00 0.86 O HETATM 1235 C4 SYO A 101 -2.084 4.746 -1.525 1.00 0.47 C HETATM 1236 C5 SYO A 101 -2.194 3.554 -0.615 1.00 0.58 C HETATM 1237 C6 SYO A 101 -0.824 2.928 -0.450 1.00 0.57 C HETATM 1238 C7 SYO A 101 -0.820 1.810 0.556 1.00 0.49 C HETATM 1239 C8 SYO A 101 0.596 1.350 0.755 1.00 0.47 C HETATM 1240 O23 SYO A 101 -9.940 11.014 1.106 1.00 1.37 O HETATM 1241 P24 SYO A 101 -8.692 11.198 0.336 1.00 0.96 P HETATM 1242 O26 SYO A 101 -7.580 11.973 0.953 1.00 1.27 O HETATM 1243 O27 SYO A 101 -9.041 11.782 -1.039 1.00 1.04 O HETATM 1244 C28 SYO A 101 -7.945 11.834 -1.994 1.00 0.84 C HETATM 1245 C29 SYO A 101 -8.482 11.871 -3.425 1.00 0.82 C HETATM 1246 C30 SYO A 101 -9.418 13.039 -3.523 1.00 1.03 C HETATM 1247 C31 SYO A 101 -7.308 12.031 -4.398 1.00 0.73 C HETATM 1248 C32 SYO A 101 -9.271 10.516 -3.766 1.00 0.93 C HETATM 1249 O33 SYO A 101 -10.095 10.657 -4.917 1.00 1.10 O HETATM 1250 C34 SYO A 101 -8.334 9.343 -4.007 1.00 0.83 C HETATM 1251 O35 SYO A 101 -8.408 8.705 -5.069 1.00 0.96 O HETATM 1252 N36 SYO A 101 -7.487 9.078 -3.067 1.00 0.71 N HETATM 1253 C37 SYO A 101 -6.503 8.008 -3.093 1.00 0.70 C HETATM 1254 C38 SYO A 101 -5.238 8.370 -3.882 1.00 0.66 C HETATM 1255 C39 SYO A 101 -4.446 9.502 -3.300 1.00 0.47 C HETATM 1256 O40 SYO A 101 -3.934 10.378 -4.015 1.00 0.53 O HETATM 1257 N41 SYO A 101 -4.370 9.484 -2.006 1.00 0.38 N HETATM 1258 C42 SYO A 101 -3.691 10.448 -1.231 1.00 0.43 C HETATM 1259 C43 SYO A 101 -3.813 10.168 0.243 1.00 0.71 C HETATM 0 HO33 SYO A 101 -9.894 9.939 -5.553 1.00 1.10 H new HETATM 0 HN41 SYO A 101 -4.833 8.720 -1.514 1.00 0.38 H new HETATM 0 HN36 SYO A 101 -7.511 9.670 -2.237 1.00 0.71 H new HETATM 0 H43A SYO A 101 -4.763 9.663 0.420 1.00 0.71 H new HETATM 0 H42A SYO A 101 -2.638 10.464 -1.512 1.00 0.43 H new HETATM 0 H38A SYO A 101 -4.599 7.489 -3.943 1.00 0.66 H new HETATM 0 H37A SYO A 101 -6.225 7.754 -2.070 1.00 0.70 H new HETATM 0 H31B SYO A 101 -6.780 12.959 -4.181 1.00 0.73 H new HETATM 0 H31A SYO A 101 -6.625 11.189 -4.285 1.00 0.73 H new HETATM 0 H30B SYO A 101 -10.235 12.911 -2.812 1.00 1.03 H new HETATM 0 H30A SYO A 101 -8.878 13.958 -3.294 1.00 1.03 H new HETATM 0 H28A SYO A 101 -7.333 12.716 -1.806 1.00 0.84 H new HETATM 0 H8B SYO A 101 1.001 0.997 -0.194 1.00 0.47 H new HETATM 0 H8A SYO A 101 1.200 2.180 1.121 1.00 0.47 H new HETATM 0 H8 SYO A 101 0.616 0.539 1.483 1.00 0.47 H new HETATM 0 H7A SYO A 101 -1.244 2.150 1.501 1.00 0.49 H new HETATM 0 H7 SYO A 101 -1.440 0.985 0.207 1.00 0.49 H new HETATM 0 H6A SYO A 101 -0.483 2.547 -1.413 1.00 0.57 H new HETATM 0 H6 SYO A 101 -0.113 3.694 -0.140 1.00 0.57 H new HETATM 0 H5A SYO A 101 -2.588 3.857 0.355 1.00 0.58 H new HETATM 0 H5 SYO A 101 -2.892 2.827 -1.030 1.00 0.58 H new HETATM 0 H4A SYO A 101 -2.129 4.400 -2.558 1.00 0.47 H new HETATM 0 H43 SYO A 101 -3.855 11.120 0.772 1.00 0.71 H new HETATM 0 H42 SYO A 101 -4.094 11.438 -1.447 1.00 0.43 H new HETATM 0 H4 SYO A 101 -1.104 5.201 -1.384 1.00 0.47 H new HETATM 0 H38 SYO A 101 -5.523 8.629 -4.902 1.00 0.66 H new HETATM 0 H37 SYO A 101 -6.955 7.118 -3.531 1.00 0.70 H new HETATM 0 H32 SYO A 101 -9.886 10.316 -2.888 1.00 0.93 H new HETATM 0 H31 SYO A 101 -7.684 12.058 -5.421 1.00 0.73 H new HETATM 0 H30 SYO A 101 -9.822 13.098 -4.534 1.00 1.03 H new HETATM 0 H2A SYO A 101 -3.137 7.879 -1.608 1.00 0.69 H new HETATM 0 H28 SYO A 101 -7.300 10.965 -1.864 1.00 0.84 H new HETATM 0 H2 SYO A 101 -1.576 7.215 -1.167 1.00 0.69 H new HETATM 0 H1A SYO A 101 -2.338 6.794 1.094 1.00 0.56 H new HETATM 0 H1 SYO A 101 -3.963 7.304 0.679 1.00 0.56 H new