USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=16 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.284 USER MOD Single : A 4 GLN : amide:sc= 0.238 X(o=0.24,f=-0.093) USER MOD Single : A 16 ASN :FLIP amide:sc= -7.14! C(o=-8.1!,f=-7.1!) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -0.0261 (180deg=-0.172) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 80:sc= -0.036 USER MOD Single : A 33 THR OG1 : rot -44:sc= 0.557 USER MOD Single : A 42 SER OG : rot 180:sc= -0.359 USER MOD Single : A 43 MET CE :methyl 169:sc= -4.97! (180deg=-5.43!) USER MOD Single : A 57 LYS NZ :NH3+ -173:sc=-0.00275 (180deg=-0.0787) USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.21) USER MOD Single : A 65 ASN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0.934 (180deg=0.716) USER MOD Single : A 68 THR OG1 : rot -72:sc= 1.42 USER MOD Single : A 73 THR OG1 : rot 74:sc= -0.199 USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= -0.391 (180deg=-0.397) USER MOD Single : A 75 TYR OH : rot 57:sc= 0.608 USER MOD Single : A 79 HIS : no HD1:sc=-0.00394 X(o=-0.0039,f=-0.0034) USER MOD Single : A 80 GLN : amide:sc= -3.37! C(o=-3.4!,f=-2.9!) USER MOD Single : A 101 SYO O33 : rot 133:sc= 0.208 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.277 -6.916 4.885 1.00 1.42 N ATOM 2 CA ALA A 1 13.145 -6.374 3.538 1.00 0.94 C ATOM 3 C ALA A 1 13.228 -7.516 2.560 1.00 0.83 C ATOM 4 O ALA A 1 14.328 -7.991 2.229 1.00 1.23 O ATOM 5 CB ALA A 1 14.255 -5.367 3.265 1.00 1.13 C ATOM 0 H1 ALA A 1 13.222 -6.142 5.578 1.00 1.42 H new ATOM 0 H2 ALA A 1 12.509 -7.595 5.063 1.00 1.42 H new ATOM 0 H3 ALA A 1 14.194 -7.398 4.977 1.00 1.42 H new ATOM 0 HA ALA A 1 12.189 -5.861 3.434 1.00 0.94 H new ATOM 0 HB1 ALA A 1 14.146 -4.969 2.256 1.00 1.13 H new ATOM 0 HB2 ALA A 1 14.192 -4.551 3.985 1.00 1.13 H new ATOM 0 HB3 ALA A 1 15.223 -5.859 3.358 1.00 1.13 H new ATOM 13 N ALA A 2 12.088 -7.989 2.121 1.00 0.85 N ATOM 14 CA ALA A 2 12.061 -9.153 1.267 1.00 1.24 C ATOM 15 C ALA A 2 11.681 -8.815 -0.159 1.00 1.16 C ATOM 16 O ALA A 2 12.546 -8.487 -0.976 1.00 1.77 O ATOM 17 CB ALA A 2 11.165 -10.248 1.843 1.00 1.85 C ATOM 0 H ALA A 2 11.174 -7.591 2.337 1.00 0.85 H new ATOM 0 HA ALA A 2 13.079 -9.542 1.234 1.00 1.24 H new ATOM 0 HB1 ALA A 2 11.168 -11.109 1.175 1.00 1.85 H new ATOM 0 HB2 ALA A 2 11.539 -10.547 2.822 1.00 1.85 H new ATOM 0 HB3 ALA A 2 10.148 -9.870 1.944 1.00 1.85 H new ATOM 23 N THR A 3 10.400 -8.839 -0.450 1.00 0.54 N ATOM 24 CA THR A 3 9.926 -8.598 -1.779 1.00 0.48 C ATOM 25 C THR A 3 8.405 -8.435 -1.768 1.00 0.35 C ATOM 26 O THR A 3 7.790 -8.402 -0.700 1.00 0.35 O ATOM 27 CB THR A 3 10.385 -9.741 -2.772 1.00 0.59 C ATOM 28 OG1 THR A 3 9.977 -9.453 -4.113 1.00 0.66 O ATOM 29 CG2 THR A 3 9.824 -11.102 -2.356 1.00 0.66 C ATOM 0 H THR A 3 9.665 -9.026 0.232 1.00 0.54 H new ATOM 0 HA THR A 3 10.367 -7.670 -2.143 1.00 0.48 H new ATOM 0 HB THR A 3 11.473 -9.780 -2.729 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.274 -10.173 -4.707 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.159 -11.864 -3.060 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.178 -11.351 -1.356 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.735 -11.062 -2.356 1.00 0.66 H new ATOM 37 N GLN A 4 7.830 -8.362 -2.946 1.00 0.32 N ATOM 38 CA GLN A 4 6.400 -8.195 -3.191 1.00 0.28 C ATOM 39 C GLN A 4 5.533 -9.178 -2.420 1.00 0.27 C ATOM 40 O GLN A 4 4.497 -8.794 -1.885 1.00 0.26 O ATOM 41 CB GLN A 4 6.130 -8.266 -4.701 1.00 0.33 C ATOM 42 CG GLN A 4 4.658 -8.263 -5.125 1.00 0.37 C ATOM 43 CD GLN A 4 4.087 -9.658 -5.370 1.00 0.39 C ATOM 44 OE1 GLN A 4 4.190 -10.185 -6.462 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.436 -10.230 -4.390 1.00 0.48 N ATOM 0 H GLN A 4 8.368 -8.420 -3.811 1.00 0.32 H new ATOM 0 HA GLN A 4 6.116 -7.212 -2.815 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.626 -7.421 -5.178 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.597 -9.171 -5.091 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.068 -7.769 -4.353 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.552 -7.672 -6.035 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.366 -9.765 -3.485 1.00 0.48 H new ATOM 0 HE22 GLN A 4 2.999 -11.141 -4.531 1.00 0.48 H new ATOM 54 N GLU A 5 5.949 -10.428 -2.359 1.00 0.33 N ATOM 55 CA GLU A 5 5.199 -11.479 -1.656 1.00 0.40 C ATOM 56 C GLU A 5 5.063 -11.208 -0.160 1.00 0.39 C ATOM 57 O GLU A 5 4.173 -11.724 0.498 1.00 0.55 O ATOM 58 CB GLU A 5 5.813 -12.838 -1.925 1.00 0.57 C ATOM 59 CG GLU A 5 5.504 -13.376 -3.310 1.00 0.85 C ATOM 60 CD GLU A 5 4.036 -13.720 -3.457 1.00 1.88 C ATOM 61 OE1 GLU A 5 3.567 -14.752 -2.905 1.00 2.37 O ATOM 62 OE2 GLU A 5 3.313 -12.963 -4.125 1.00 2.66 O ATOM 0 H GLU A 5 6.813 -10.755 -2.791 1.00 0.33 H new ATOM 0 HA GLU A 5 4.184 -11.474 -2.054 1.00 0.40 H new ATOM 0 HB2 GLU A 5 6.894 -12.771 -1.802 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.451 -13.546 -1.179 1.00 0.57 H new ATOM 0 HG2 GLU A 5 5.782 -12.635 -4.060 1.00 0.85 H new ATOM 0 HG3 GLU A 5 6.108 -14.264 -3.500 1.00 0.85 H new ATOM 69 N GLU A 6 5.965 -10.430 0.361 1.00 0.36 N ATOM 70 CA GLU A 6 5.921 -10.005 1.741 1.00 0.42 C ATOM 71 C GLU A 6 5.075 -8.731 1.847 1.00 0.32 C ATOM 72 O GLU A 6 4.297 -8.552 2.782 1.00 0.37 O ATOM 73 CB GLU A 6 7.356 -9.737 2.210 1.00 0.55 C ATOM 74 CG GLU A 6 7.508 -9.330 3.657 1.00 0.82 C ATOM 75 CD GLU A 6 7.027 -10.371 4.628 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.658 -11.438 4.737 1.00 2.73 O ATOM 77 OE2 GLU A 6 6.038 -10.133 5.333 1.00 2.05 O ATOM 0 H GLU A 6 6.763 -10.065 -0.160 1.00 0.36 H new ATOM 0 HA GLU A 6 5.473 -10.775 2.369 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.948 -10.637 2.041 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.782 -8.953 1.585 1.00 0.55 H new ATOM 0 HG2 GLU A 6 8.558 -9.116 3.857 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.956 -8.405 3.826 1.00 0.82 H new ATOM 84 N ILE A 7 5.177 -7.890 0.825 1.00 0.21 N ATOM 85 CA ILE A 7 4.563 -6.586 0.843 1.00 0.16 C ATOM 86 C ILE A 7 3.066 -6.687 0.620 1.00 0.14 C ATOM 87 O ILE A 7 2.304 -6.382 1.497 1.00 0.18 O ATOM 88 CB ILE A 7 5.200 -5.716 -0.245 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.684 -5.541 0.056 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.509 -4.362 -0.316 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.468 -4.955 -1.080 1.00 0.23 C ATOM 0 H ILE A 7 5.688 -8.100 -0.033 1.00 0.21 H new ATOM 0 HA ILE A 7 4.726 -6.133 1.821 1.00 0.16 H new ATOM 0 HB ILE A 7 5.084 -6.206 -1.212 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.794 -4.899 0.930 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.109 -6.510 0.316 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.974 -3.757 -1.094 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.454 -4.504 -0.549 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.604 -3.854 0.644 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.514 -4.861 -0.790 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.390 -5.607 -1.950 1.00 0.23 H new ATOM 0 HD13 ILE A 7 7.070 -3.971 -1.327 1.00 0.23 H new ATOM 103 N VAL A 8 2.669 -7.122 -0.546 1.00 0.13 N ATOM 104 CA VAL A 8 1.255 -7.257 -0.905 1.00 0.15 C ATOM 105 C VAL A 8 0.492 -8.061 0.131 1.00 0.18 C ATOM 106 O VAL A 8 -0.579 -7.640 0.567 1.00 0.25 O ATOM 107 CB VAL A 8 1.096 -7.874 -2.315 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.360 -8.033 -2.702 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.811 -7.032 -3.338 1.00 0.17 C ATOM 0 H VAL A 8 3.311 -7.398 -1.289 1.00 0.13 H new ATOM 0 HA VAL A 8 0.825 -6.256 -0.925 1.00 0.15 H new ATOM 0 HB VAL A 8 1.543 -8.868 -2.287 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.426 -8.469 -3.699 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.858 -8.687 -1.986 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.846 -7.057 -2.700 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.690 -7.478 -4.325 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.390 -6.027 -3.340 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.871 -6.981 -3.090 1.00 0.17 H new ATOM 119 N ALA A 9 1.068 -9.161 0.556 1.00 0.18 N ATOM 120 CA ALA A 9 0.459 -10.001 1.554 1.00 0.22 C ATOM 121 C ALA A 9 0.215 -9.234 2.870 1.00 0.21 C ATOM 122 O ALA A 9 -0.829 -9.395 3.502 1.00 0.27 O ATOM 123 CB ALA A 9 1.318 -11.219 1.805 1.00 0.26 C ATOM 0 H ALA A 9 1.970 -9.496 0.219 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.511 -10.321 1.174 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.847 -11.847 2.562 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.426 -11.785 0.880 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.301 -10.905 2.155 1.00 0.26 H new ATOM 129 N GLY A 10 1.147 -8.349 3.222 1.00 0.18 N ATOM 130 CA GLY A 10 1.079 -7.635 4.438 1.00 0.18 C ATOM 131 C GLY A 10 0.227 -6.422 4.338 1.00 0.15 C ATOM 132 O GLY A 10 -0.526 -6.097 5.251 1.00 0.16 O ATOM 0 H GLY A 10 1.962 -8.126 2.651 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.686 -8.288 5.218 1.00 0.18 H new ATOM 0 HA3 GLY A 10 2.085 -7.345 4.742 1.00 0.18 H new ATOM 136 N LEU A 11 0.328 -5.769 3.214 1.00 0.14 N ATOM 137 CA LEU A 11 -0.379 -4.556 2.942 1.00 0.13 C ATOM 138 C LEU A 11 -1.866 -4.876 2.874 1.00 0.14 C ATOM 139 O LEU A 11 -2.699 -4.110 3.346 1.00 0.16 O ATOM 140 CB LEU A 11 0.130 -3.980 1.622 1.00 0.13 C ATOM 141 CG LEU A 11 0.359 -2.468 1.557 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.906 -2.091 0.198 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.917 -1.719 1.829 1.00 0.20 C ATOM 0 H LEU A 11 0.921 -6.077 2.443 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.217 -3.814 3.724 1.00 0.13 H new ATOM 0 HB2 LEU A 11 1.071 -4.474 1.379 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.582 -4.247 0.841 1.00 0.13 H new ATOM 0 HG LEU A 11 1.083 -2.194 2.325 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.067 -1.014 0.157 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.852 -2.606 0.031 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.193 -2.381 -0.574 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.728 -0.647 1.777 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.665 -1.992 1.085 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.284 -1.975 2.823 1.00 0.20 H new ATOM 155 N ALA A 12 -2.175 -6.049 2.325 1.00 0.12 N ATOM 156 CA ALA A 12 -3.528 -6.550 2.272 1.00 0.13 C ATOM 157 C ALA A 12 -4.090 -6.665 3.664 1.00 0.11 C ATOM 158 O ALA A 12 -5.210 -6.236 3.911 1.00 0.13 O ATOM 159 CB ALA A 12 -3.564 -7.902 1.607 1.00 0.14 C ATOM 0 H ALA A 12 -1.485 -6.673 1.906 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.130 -5.851 1.692 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.591 -8.265 1.576 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.177 -7.818 0.591 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.949 -8.602 2.173 1.00 0.14 H new ATOM 165 N GLU A 13 -3.281 -7.203 4.577 1.00 0.12 N ATOM 166 CA GLU A 13 -3.674 -7.396 5.967 1.00 0.13 C ATOM 167 C GLU A 13 -3.971 -6.090 6.648 1.00 0.15 C ATOM 168 O GLU A 13 -4.930 -5.982 7.416 1.00 0.19 O ATOM 169 CB GLU A 13 -2.649 -8.215 6.731 1.00 0.18 C ATOM 170 CG GLU A 13 -2.508 -9.623 6.195 1.00 0.23 C ATOM 171 CD GLU A 13 -1.406 -10.399 6.871 1.00 0.36 C ATOM 172 OE1 GLU A 13 -0.242 -10.208 6.539 1.00 0.52 O ATOM 173 OE2 GLU A 13 -1.683 -11.202 7.778 1.00 0.68 O ATOM 0 H GLU A 13 -2.333 -7.517 4.370 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.601 -7.969 5.964 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.682 -7.714 6.684 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -2.935 -8.258 7.782 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.452 -10.153 6.326 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.312 -9.581 5.124 1.00 0.23 H new ATOM 180 N ILE A 14 -3.186 -5.092 6.334 1.00 0.14 N ATOM 181 CA ILE A 14 -3.420 -3.747 6.862 1.00 0.17 C ATOM 182 C ILE A 14 -4.795 -3.249 6.384 1.00 0.18 C ATOM 183 O ILE A 14 -5.598 -2.728 7.155 1.00 0.22 O ATOM 184 CB ILE A 14 -2.324 -2.780 6.359 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.959 -3.303 6.780 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.550 -1.382 6.922 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.180 -2.679 6.049 1.00 0.25 C ATOM 0 H ILE A 14 -2.377 -5.171 5.718 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.393 -3.780 7.951 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.369 -2.722 5.271 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.829 -3.132 7.849 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -0.930 -4.381 6.624 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.770 -0.713 6.559 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.524 -1.013 6.600 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.518 -1.419 8.011 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.118 -3.104 6.406 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.077 -2.872 4.981 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.179 -1.603 6.225 1.00 0.25 H new ATOM 199 N VAL A 15 -5.078 -3.509 5.127 1.00 0.15 N ATOM 200 CA VAL A 15 -6.284 -3.049 4.466 1.00 0.17 C ATOM 201 C VAL A 15 -7.519 -3.801 4.984 1.00 0.18 C ATOM 202 O VAL A 15 -8.667 -3.296 4.928 1.00 0.22 O ATOM 203 CB VAL A 15 -6.144 -3.183 2.920 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.408 -2.831 2.217 1.00 0.27 C ATOM 205 CG2 VAL A 15 -5.042 -2.291 2.413 1.00 0.23 C ATOM 0 H VAL A 15 -4.466 -4.056 4.522 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.423 -1.994 4.701 1.00 0.17 H new ATOM 0 HB VAL A 15 -5.908 -4.226 2.711 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.268 -2.937 1.141 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.205 -3.497 2.547 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.678 -1.800 2.447 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -4.957 -2.396 1.331 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.271 -1.254 2.660 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.099 -2.576 2.880 1.00 0.23 H new ATOM 215 N ASN A 16 -7.285 -4.983 5.508 1.00 0.16 N ATOM 216 CA ASN A 16 -8.353 -5.790 6.100 1.00 0.20 C ATOM 217 C ASN A 16 -8.843 -5.082 7.342 1.00 0.25 C ATOM 218 O ASN A 16 -10.027 -4.889 7.539 1.00 0.34 O ATOM 219 CB ASN A 16 -7.880 -7.198 6.527 1.00 0.20 C ATOM 220 CG ASN A 16 -7.165 -8.001 5.488 1.00 0.19 C ATOM 221 OD1 ASN A 16 -7.569 -7.906 4.282 1.00 0.21 O flip ATOM 222 ND2 ASN A 16 -6.287 -8.778 5.801 1.00 0.27 N flip ATOM 0 H ASN A 16 -6.363 -5.417 5.541 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.129 -5.909 5.344 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.222 -7.091 7.389 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.750 -7.765 6.859 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -5.980 -8.837 6.772 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -5.856 -9.372 5.093 1.00 0.27 H new ATOM 229 N GLU A 17 -7.900 -4.646 8.136 1.00 0.26 N ATOM 230 CA GLU A 17 -8.176 -4.009 9.400 1.00 0.35 C ATOM 231 C GLU A 17 -8.684 -2.582 9.218 1.00 0.38 C ATOM 232 O GLU A 17 -9.704 -2.206 9.789 1.00 0.47 O ATOM 233 CB GLU A 17 -6.915 -4.023 10.243 1.00 0.41 C ATOM 234 CG GLU A 17 -6.388 -5.421 10.497 1.00 0.46 C ATOM 235 CD GLU A 17 -7.349 -6.257 11.305 1.00 1.22 C ATOM 236 OE1 GLU A 17 -7.382 -6.136 12.548 1.00 1.35 O ATOM 237 OE2 GLU A 17 -8.091 -7.054 10.703 1.00 2.07 O ATOM 0 H GLU A 17 -6.906 -4.724 7.921 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.967 -4.564 9.904 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -6.144 -3.435 9.744 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -7.118 -3.538 11.198 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -6.195 -5.913 9.544 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -5.435 -5.358 11.022 1.00 0.46 H new ATOM 244 N ILE A 18 -7.971 -1.806 8.426 1.00 0.32 N ATOM 245 CA ILE A 18 -8.307 -0.400 8.171 1.00 0.38 C ATOM 246 C ILE A 18 -9.711 -0.261 7.545 1.00 0.39 C ATOM 247 O ILE A 18 -10.552 0.508 8.039 1.00 0.43 O ATOM 248 CB ILE A 18 -7.255 0.228 7.203 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.842 0.263 7.833 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.677 1.619 6.750 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.642 1.257 8.957 1.00 0.58 C ATOM 0 H ILE A 18 -7.136 -2.125 7.934 1.00 0.32 H new ATOM 0 HA ILE A 18 -8.299 0.123 9.127 1.00 0.38 H new ATOM 0 HB ILE A 18 -7.209 -0.415 6.324 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.609 -0.733 8.209 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -5.120 0.484 7.046 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.923 2.027 6.077 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.632 1.558 6.229 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.779 2.269 7.619 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.617 1.193 9.321 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.835 2.265 8.590 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -6.331 1.029 9.771 1.00 0.58 H new ATOM 263 N ALA A 19 -9.953 -0.986 6.470 1.00 0.39 N ATOM 264 CA ALA A 19 -11.204 -0.858 5.744 1.00 0.44 C ATOM 265 C ALA A 19 -12.067 -2.088 5.904 1.00 0.41 C ATOM 266 O ALA A 19 -13.185 -2.016 6.400 1.00 0.54 O ATOM 267 CB ALA A 19 -10.928 -0.606 4.276 1.00 0.48 C ATOM 0 H ALA A 19 -9.303 -1.668 6.080 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.748 -0.011 6.162 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.872 -0.511 3.739 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.354 0.314 4.166 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.359 -1.439 3.865 1.00 0.48 H new ATOM 273 N GLY A 20 -11.544 -3.207 5.482 1.00 0.34 N ATOM 274 CA GLY A 20 -12.287 -4.444 5.568 1.00 0.33 C ATOM 275 C GLY A 20 -12.164 -5.274 4.336 1.00 0.32 C ATOM 276 O GLY A 20 -13.063 -6.032 3.990 1.00 0.43 O ATOM 0 H GLY A 20 -10.612 -3.293 5.077 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.933 -5.017 6.425 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.339 -4.220 5.747 1.00 0.33 H new ATOM 280 N ILE A 21 -11.059 -5.134 3.659 1.00 0.27 N ATOM 281 CA ILE A 21 -10.796 -5.925 2.485 1.00 0.26 C ATOM 282 C ILE A 21 -10.538 -7.363 2.889 1.00 0.25 C ATOM 283 O ILE A 21 -10.134 -7.616 4.000 1.00 0.24 O ATOM 284 CB ILE A 21 -9.634 -5.311 1.648 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.162 -4.348 0.567 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.627 -6.324 1.086 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.945 -3.161 1.100 1.00 0.29 C ATOM 0 H ILE A 21 -10.319 -4.475 3.901 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.671 -5.919 1.835 1.00 0.26 H new ATOM 0 HB ILE A 21 -9.051 -4.732 2.364 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.317 -3.977 -0.013 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.799 -4.907 -0.118 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.859 -5.797 0.520 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.163 -6.869 1.908 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.144 -7.026 0.431 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.276 -2.540 0.268 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.813 -3.517 1.655 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.309 -2.573 1.761 1.00 0.29 H new ATOM 299 N PRO A 22 -10.834 -8.302 2.025 1.00 0.29 N ATOM 300 CA PRO A 22 -10.664 -9.736 2.282 1.00 0.35 C ATOM 301 C PRO A 22 -9.286 -10.317 1.889 1.00 0.45 C ATOM 302 O PRO A 22 -9.200 -11.452 1.434 1.00 1.08 O ATOM 303 CB PRO A 22 -11.713 -10.347 1.390 1.00 0.37 C ATOM 304 CG PRO A 22 -12.410 -9.220 0.707 1.00 0.44 C ATOM 305 CD PRO A 22 -11.488 -8.083 0.754 1.00 0.34 C ATOM 0 HA PRO A 22 -10.746 -9.941 3.349 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.257 -11.018 0.661 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.418 -10.940 1.973 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.655 -9.480 -0.323 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.348 -8.982 1.208 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.783 -8.090 -0.078 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.011 -7.127 0.720 1.00 0.34 H new ATOM 313 N VAL A 23 -8.252 -9.515 2.038 1.00 0.39 N ATOM 314 CA VAL A 23 -6.806 -9.881 1.883 1.00 0.32 C ATOM 315 C VAL A 23 -6.366 -10.387 0.479 1.00 0.42 C ATOM 316 O VAL A 23 -5.171 -10.441 0.179 1.00 0.81 O ATOM 317 CB VAL A 23 -6.280 -10.830 3.046 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.654 -12.298 2.867 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.799 -10.671 3.303 1.00 0.33 C ATOM 0 H VAL A 23 -8.373 -8.532 2.284 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.307 -8.917 1.979 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.810 -10.489 3.935 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.259 -12.878 3.701 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.739 -12.396 2.839 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.232 -12.670 1.934 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.495 -11.342 4.106 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.244 -10.915 2.397 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.588 -9.641 3.592 1.00 0.33 H new ATOM 329 N GLU A 24 -7.298 -10.678 -0.386 1.00 0.33 N ATOM 330 CA GLU A 24 -6.949 -11.180 -1.705 1.00 0.40 C ATOM 331 C GLU A 24 -7.349 -10.226 -2.803 1.00 0.34 C ATOM 332 O GLU A 24 -7.062 -10.453 -3.971 1.00 0.44 O ATOM 333 CB GLU A 24 -7.544 -12.553 -1.925 1.00 0.57 C ATOM 334 CG GLU A 24 -6.973 -13.603 -0.996 1.00 1.36 C ATOM 335 CD GLU A 24 -7.500 -14.967 -1.291 1.00 1.86 C ATOM 336 OE1 GLU A 24 -6.938 -15.652 -2.173 1.00 2.20 O ATOM 337 OE2 GLU A 24 -8.479 -15.386 -0.646 1.00 2.31 O ATOM 0 H GLU A 24 -8.299 -10.581 -0.213 1.00 0.33 H new ATOM 0 HA GLU A 24 -5.863 -11.264 -1.746 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -8.624 -12.501 -1.785 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -7.370 -12.857 -2.957 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -5.886 -13.609 -1.082 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -7.209 -13.340 0.035 1.00 1.36 H new ATOM 344 N ASP A 25 -7.996 -9.152 -2.425 1.00 0.28 N ATOM 345 CA ASP A 25 -8.400 -8.128 -3.391 1.00 0.29 C ATOM 346 C ASP A 25 -7.263 -7.218 -3.638 1.00 0.25 C ATOM 347 O ASP A 25 -7.113 -6.656 -4.714 1.00 0.28 O ATOM 348 CB ASP A 25 -9.596 -7.330 -2.900 1.00 0.35 C ATOM 349 CG ASP A 25 -10.870 -8.103 -2.989 1.00 0.94 C ATOM 350 OD1 ASP A 25 -11.098 -8.998 -2.144 1.00 1.59 O ATOM 351 OD2 ASP A 25 -11.659 -7.838 -3.880 1.00 1.57 O ATOM 0 H ASP A 25 -8.260 -8.953 -1.460 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.692 -8.628 -4.314 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -9.429 -7.028 -1.866 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.686 -6.417 -3.488 1.00 0.35 H new ATOM 356 N VAL A 26 -6.448 -7.089 -2.619 1.00 0.23 N ATOM 357 CA VAL A 26 -5.250 -6.268 -2.679 1.00 0.22 C ATOM 358 C VAL A 26 -4.235 -6.975 -3.568 1.00 0.25 C ATOM 359 O VAL A 26 -3.527 -7.874 -3.122 1.00 0.30 O ATOM 360 CB VAL A 26 -4.655 -6.046 -1.256 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.444 -5.129 -1.282 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.693 -5.477 -0.328 1.00 0.27 C ATOM 0 H VAL A 26 -6.592 -7.549 -1.720 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.497 -5.289 -3.089 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.335 -7.022 -0.892 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.062 -5.002 -0.269 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.669 -5.568 -1.910 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.731 -4.158 -1.686 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.256 -5.330 0.660 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.043 -4.520 -0.716 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.533 -6.168 -0.254 1.00 0.27 H new ATOM 372 N LYS A 27 -4.288 -6.666 -4.836 1.00 0.28 N ATOM 373 CA LYS A 27 -3.413 -7.238 -5.814 1.00 0.35 C ATOM 374 C LYS A 27 -2.726 -6.077 -6.504 1.00 0.37 C ATOM 375 O LYS A 27 -3.228 -4.964 -6.455 1.00 0.72 O ATOM 376 CB LYS A 27 -4.255 -7.997 -6.844 1.00 0.40 C ATOM 377 CG LYS A 27 -3.522 -9.094 -7.595 1.00 0.83 C ATOM 378 CD LYS A 27 -3.159 -10.257 -6.673 1.00 1.13 C ATOM 379 CE LYS A 27 -4.394 -10.973 -6.121 1.00 1.15 C ATOM 380 NZ LYS A 27 -5.236 -11.551 -7.197 1.00 1.58 N ATOM 0 H LYS A 27 -4.954 -5.997 -5.221 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.693 -7.920 -5.362 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -5.113 -8.437 -6.335 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -4.646 -7.282 -7.568 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -4.146 -9.457 -8.412 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -2.616 -8.687 -8.043 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -2.543 -10.971 -7.219 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -2.557 -9.885 -5.844 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -4.079 -11.766 -5.443 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -4.987 -10.271 -5.536 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -5.952 -12.179 -6.778 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -5.709 -10.785 -7.717 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -4.638 -12.095 -7.851 1.00 1.58 H new ATOM 394 N LEU A 28 -1.608 -6.310 -7.118 1.00 0.24 N ATOM 395 CA LEU A 28 -0.891 -5.272 -7.831 1.00 0.22 C ATOM 396 C LEU A 28 -1.776 -4.653 -8.906 1.00 0.23 C ATOM 397 O LEU A 28 -2.559 -5.347 -9.563 1.00 0.31 O ATOM 398 CB LEU A 28 0.373 -5.838 -8.470 1.00 0.27 C ATOM 399 CG LEU A 28 1.424 -6.431 -7.533 1.00 0.43 C ATOM 400 CD1 LEU A 28 2.512 -7.096 -8.338 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.026 -5.365 -6.652 1.00 1.05 C ATOM 0 H LEU A 28 -1.157 -7.224 -7.145 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.611 -4.500 -7.114 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.076 -6.612 -9.178 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.845 -5.043 -9.047 1.00 0.27 H new ATOM 0 HG LEU A 28 0.935 -7.169 -6.897 1.00 0.43 H new ATOM 0 HD11 LEU A 28 3.258 -7.517 -7.664 1.00 1.05 H new ATOM 0 HD12 LEU A 28 2.081 -7.892 -8.944 1.00 1.05 H new ATOM 0 HD13 LEU A 28 2.985 -6.360 -8.989 1.00 1.05 H new ATOM 0 HD21 LEU A 28 2.771 -5.814 -5.995 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.501 -4.605 -7.273 1.00 1.05 H new ATOM 0 HD23 LEU A 28 1.242 -4.905 -6.051 1.00 1.05 H new ATOM 413 N ASP A 29 -1.651 -3.342 -9.024 1.00 0.24 N ATOM 414 CA ASP A 29 -2.394 -2.496 -9.969 1.00 0.31 C ATOM 415 C ASP A 29 -3.833 -2.307 -9.513 1.00 0.28 C ATOM 416 O ASP A 29 -4.676 -1.813 -10.240 1.00 0.38 O ATOM 417 CB ASP A 29 -2.313 -3.019 -11.406 1.00 0.42 C ATOM 418 CG ASP A 29 -2.616 -1.951 -12.436 1.00 0.60 C ATOM 419 OD1 ASP A 29 -1.799 -1.009 -12.576 1.00 0.72 O ATOM 420 OD2 ASP A 29 -3.627 -2.055 -13.162 1.00 0.70 O ATOM 0 H ASP A 29 -1.005 -2.807 -8.444 1.00 0.24 H new ATOM 0 HA ASP A 29 -1.915 -1.517 -9.974 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.315 -3.419 -11.587 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.014 -3.844 -11.528 1.00 0.42 H new ATOM 425 N LYS A 30 -4.094 -2.656 -8.272 1.00 0.19 N ATOM 426 CA LYS A 30 -5.389 -2.431 -7.701 1.00 0.20 C ATOM 427 C LYS A 30 -5.344 -1.235 -6.853 1.00 0.20 C ATOM 428 O LYS A 30 -4.529 -1.125 -5.945 1.00 0.24 O ATOM 429 CB LYS A 30 -5.891 -3.548 -6.854 1.00 0.28 C ATOM 430 CG LYS A 30 -6.306 -4.809 -7.562 1.00 0.36 C ATOM 431 CD LYS A 30 -7.631 -4.623 -8.267 1.00 0.45 C ATOM 432 CE LYS A 30 -8.105 -5.907 -8.901 1.00 0.79 C ATOM 433 NZ LYS A 30 -9.484 -5.785 -9.421 1.00 1.48 N ATOM 0 H LYS A 30 -3.421 -3.097 -7.645 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.066 -2.327 -8.549 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.113 -3.804 -6.135 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.745 -3.183 -6.283 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.542 -5.093 -8.285 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.383 -5.625 -6.844 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.377 -4.271 -7.555 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.532 -3.853 -9.032 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -7.433 -6.181 -9.714 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -8.063 -6.712 -8.167 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -9.775 -6.687 -9.849 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -10.130 -5.548 -8.641 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -9.519 -5.034 -10.139 1.00 1.48 H new ATOM 447 N SER A 31 -6.199 -0.384 -7.134 1.00 0.20 N ATOM 448 CA SER A 31 -6.323 0.867 -6.485 1.00 0.34 C ATOM 449 C SER A 31 -7.057 0.676 -5.177 1.00 0.53 C ATOM 450 O SER A 31 -8.210 0.307 -5.161 1.00 1.25 O ATOM 451 CB SER A 31 -7.108 1.796 -7.383 1.00 0.36 C ATOM 452 OG SER A 31 -6.605 1.772 -8.707 1.00 0.86 O ATOM 0 H SER A 31 -6.892 -0.524 -7.869 1.00 0.20 H new ATOM 0 HA SER A 31 -5.340 1.292 -6.284 1.00 0.34 H new ATOM 0 HB2 SER A 31 -8.158 1.504 -7.384 1.00 0.36 H new ATOM 0 HB3 SER A 31 -7.060 2.812 -6.991 1.00 0.36 H new ATOM 0 HG SER A 31 -6.949 0.981 -9.173 1.00 0.86 H new ATOM 458 N PHE A 32 -6.363 0.850 -4.126 1.00 0.29 N ATOM 459 CA PHE A 32 -6.882 0.764 -2.786 1.00 0.28 C ATOM 460 C PHE A 32 -8.236 1.532 -2.621 1.00 0.26 C ATOM 461 O PHE A 32 -9.286 0.924 -2.428 1.00 0.40 O ATOM 462 CB PHE A 32 -5.857 1.307 -1.818 1.00 0.40 C ATOM 463 CG PHE A 32 -4.523 0.613 -1.753 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.318 -0.452 -0.898 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.462 1.054 -2.515 1.00 0.35 C ATOM 466 CE1 PHE A 32 -3.099 -1.062 -0.817 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.233 0.447 -2.428 1.00 0.34 C ATOM 468 CZ PHE A 32 -2.053 -0.614 -1.580 1.00 0.36 C ATOM 0 H PHE A 32 -5.367 1.068 -4.156 1.00 0.29 H new ATOM 0 HA PHE A 32 -7.083 -0.286 -2.573 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.680 2.353 -2.068 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.295 1.288 -0.820 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -5.133 -0.807 -0.285 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.599 1.887 -3.189 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -2.959 -1.900 -0.150 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.409 0.806 -3.027 1.00 0.34 H new ATOM 0 HZ PHE A 32 -1.089 -1.096 -1.513 1.00 0.36 H new ATOM 478 N THR A 33 -8.223 2.822 -2.769 1.00 0.28 N ATOM 479 CA THR A 33 -9.427 3.625 -2.594 1.00 0.36 C ATOM 480 C THR A 33 -10.231 3.806 -3.920 1.00 0.45 C ATOM 481 O THR A 33 -10.930 4.811 -4.114 1.00 1.06 O ATOM 482 CB THR A 33 -9.104 4.999 -1.897 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.292 5.764 -1.639 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.125 5.835 -2.705 1.00 0.78 C ATOM 0 H THR A 33 -7.391 3.359 -3.013 1.00 0.28 H new ATOM 0 HA THR A 33 -10.083 3.068 -1.925 1.00 0.36 H new ATOM 0 HB THR A 33 -8.639 4.747 -0.944 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.880 5.729 -2.422 1.00 1.01 H new ATOM 0 HG21 THR A 33 -7.932 6.773 -2.185 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.190 5.287 -2.823 1.00 0.78 H new ATOM 0 HG23 THR A 33 -8.550 6.045 -3.687 1.00 0.78 H new ATOM 492 N ASP A 34 -10.196 2.791 -4.777 1.00 0.32 N ATOM 493 CA ASP A 34 -10.980 2.795 -6.032 1.00 0.34 C ATOM 494 C ASP A 34 -11.411 1.385 -6.402 1.00 0.35 C ATOM 495 O ASP A 34 -12.593 1.093 -6.561 1.00 0.50 O ATOM 496 CB ASP A 34 -10.187 3.408 -7.202 1.00 0.38 C ATOM 497 CG ASP A 34 -10.930 3.300 -8.530 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.852 4.097 -8.781 1.00 1.04 O ATOM 499 OD2 ASP A 34 -10.603 2.424 -9.352 1.00 1.74 O ATOM 0 H ASP A 34 -9.637 1.950 -4.636 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.861 3.411 -5.853 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.982 4.457 -6.988 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -9.223 2.906 -7.286 1.00 0.38 H new ATOM 504 N ASP A 35 -10.442 0.519 -6.511 1.00 0.30 N ATOM 505 CA ASP A 35 -10.642 -0.878 -6.869 1.00 0.32 C ATOM 506 C ASP A 35 -11.034 -1.681 -5.654 1.00 0.35 C ATOM 507 O ASP A 35 -12.027 -2.396 -5.671 1.00 0.52 O ATOM 508 CB ASP A 35 -9.352 -1.490 -7.468 1.00 0.31 C ATOM 509 CG ASP A 35 -9.048 -1.099 -8.899 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.900 -1.286 -9.781 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.941 -0.582 -9.161 1.00 1.10 O ATOM 0 H ASP A 35 -9.464 0.760 -6.352 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.438 -0.914 -7.613 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.508 -1.198 -6.843 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.427 -2.576 -7.415 1.00 0.31 H new ATOM 516 N LEU A 36 -10.257 -1.533 -4.594 1.00 0.30 N ATOM 517 CA LEU A 36 -10.438 -2.322 -3.371 1.00 0.33 C ATOM 518 C LEU A 36 -11.606 -1.830 -2.559 1.00 0.39 C ATOM 519 O LEU A 36 -12.388 -2.630 -2.030 1.00 0.81 O ATOM 520 CB LEU A 36 -9.215 -2.212 -2.479 1.00 0.33 C ATOM 521 CG LEU A 36 -7.867 -2.456 -3.080 1.00 0.33 C ATOM 522 CD1 LEU A 36 -6.877 -2.560 -1.971 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.854 -3.683 -3.927 1.00 0.36 C ATOM 0 H LEU A 36 -9.485 -0.868 -4.549 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.606 -3.350 -3.693 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.209 -1.211 -2.047 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.342 -2.914 -1.655 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.608 -1.626 -3.737 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -5.884 -2.738 -2.385 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -6.871 -1.631 -1.400 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.151 -3.387 -1.315 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.858 -3.826 -4.345 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.120 -4.548 -3.319 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.575 -3.574 -4.737 1.00 0.36 H new ATOM 535 N ASP A 37 -11.651 -0.503 -2.421 1.00 0.35 N ATOM 536 CA ASP A 37 -12.637 0.240 -1.654 1.00 0.45 C ATOM 537 C ASP A 37 -12.178 0.382 -0.233 1.00 0.39 C ATOM 538 O ASP A 37 -12.729 -0.199 0.711 1.00 0.87 O ATOM 539 CB ASP A 37 -14.061 -0.301 -1.747 1.00 0.79 C ATOM 540 CG ASP A 37 -15.071 0.557 -1.005 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.274 1.731 -1.383 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.657 0.081 -0.005 1.00 0.99 O ATOM 0 H ASP A 37 -10.964 0.107 -2.865 1.00 0.35 H new ATOM 0 HA ASP A 37 -12.703 1.227 -2.113 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.350 -0.368 -2.796 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -14.086 -1.313 -1.344 1.00 0.79 H new ATOM 547 N VAL A 38 -11.070 1.038 -0.110 1.00 0.38 N ATOM 548 CA VAL A 38 -10.506 1.379 1.169 1.00 0.37 C ATOM 549 C VAL A 38 -10.776 2.844 1.386 1.00 0.48 C ATOM 550 O VAL A 38 -10.806 3.599 0.421 1.00 0.79 O ATOM 551 CB VAL A 38 -8.978 1.157 1.188 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.412 1.299 2.599 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.614 -0.178 0.595 1.00 0.43 C ATOM 0 H VAL A 38 -10.517 1.360 -0.904 1.00 0.38 H new ATOM 0 HA VAL A 38 -10.948 0.753 1.944 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.528 1.933 0.569 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.334 1.137 2.577 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.620 2.300 2.976 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.877 0.561 3.253 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.532 -0.305 0.622 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.088 -0.973 1.171 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -8.959 -0.223 -0.438 1.00 0.43 H new ATOM 563 N ASP A 39 -11.050 3.230 2.608 1.00 0.39 N ATOM 564 CA ASP A 39 -11.286 4.633 2.931 1.00 0.55 C ATOM 565 C ASP A 39 -10.091 5.489 2.616 1.00 0.67 C ATOM 566 O ASP A 39 -9.067 5.365 3.259 1.00 1.53 O ATOM 567 CB ASP A 39 -11.645 4.846 4.402 1.00 0.64 C ATOM 568 CG ASP A 39 -12.999 4.339 4.778 1.00 1.28 C ATOM 569 OD1 ASP A 39 -14.007 4.876 4.279 1.00 1.51 O ATOM 570 OD2 ASP A 39 -13.079 3.418 5.612 1.00 2.00 O ATOM 0 H ASP A 39 -11.117 2.596 3.405 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.131 4.929 2.309 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -10.898 4.351 5.023 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -11.592 5.911 4.628 1.00 0.64 H new ATOM 575 N SER A 40 -10.234 6.306 1.593 1.00 0.45 N ATOM 576 CA SER A 40 -9.297 7.341 1.171 1.00 0.37 C ATOM 577 C SER A 40 -8.564 8.030 2.313 1.00 0.34 C ATOM 578 O SER A 40 -7.339 8.137 2.298 1.00 0.46 O ATOM 579 CB SER A 40 -10.081 8.362 0.415 1.00 0.51 C ATOM 580 OG SER A 40 -9.282 9.525 0.111 1.00 0.78 O ATOM 0 H SER A 40 -11.058 6.267 0.993 1.00 0.45 H new ATOM 0 HA SER A 40 -8.525 6.860 0.571 1.00 0.37 H new ATOM 0 HB2 SER A 40 -10.454 7.924 -0.511 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.951 8.660 1.000 1.00 0.51 H new ATOM 585 N LEU A 41 -9.293 8.484 3.294 1.00 0.32 N ATOM 586 CA LEU A 41 -8.684 9.210 4.377 1.00 0.36 C ATOM 587 C LEU A 41 -7.837 8.286 5.289 1.00 0.33 C ATOM 588 O LEU A 41 -6.862 8.717 5.917 1.00 0.41 O ATOM 589 CB LEU A 41 -9.741 10.056 5.139 1.00 0.51 C ATOM 590 CG LEU A 41 -11.035 9.338 5.615 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.798 8.439 6.814 1.00 1.15 C ATOM 592 CD2 LEU A 41 -12.130 10.340 5.909 1.00 1.18 C ATOM 0 H LEU A 41 -10.303 8.366 3.368 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.971 9.921 3.960 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -9.256 10.489 6.014 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -10.035 10.885 4.495 1.00 0.51 H new ATOM 0 HG LEU A 41 -11.355 8.695 4.795 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.735 7.964 7.103 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -10.067 7.673 6.555 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.421 9.034 7.646 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -13.025 9.814 6.240 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.799 11.022 6.693 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -12.356 10.907 5.006 1.00 1.18 H new ATOM 604 N SER A 42 -8.217 7.023 5.339 1.00 0.31 N ATOM 605 CA SER A 42 -7.523 6.012 6.109 1.00 0.33 C ATOM 606 C SER A 42 -6.363 5.431 5.303 1.00 0.27 C ATOM 607 O SER A 42 -5.517 4.734 5.830 1.00 0.26 O ATOM 608 CB SER A 42 -8.486 4.899 6.456 1.00 0.45 C ATOM 609 OG SER A 42 -9.649 5.402 7.085 1.00 0.60 O ATOM 0 H SER A 42 -9.030 6.667 4.837 1.00 0.31 H new ATOM 0 HA SER A 42 -7.132 6.470 7.018 1.00 0.33 H new ATOM 0 HB2 SER A 42 -8.764 4.360 5.550 1.00 0.45 H new ATOM 0 HB3 SER A 42 -7.995 4.183 7.115 1.00 0.45 H new ATOM 0 HG SER A 42 -10.254 4.660 7.296 1.00 0.60 H new ATOM 615 N MET A 43 -6.355 5.713 4.024 1.00 0.27 N ATOM 616 CA MET A 43 -5.368 5.202 3.108 1.00 0.31 C ATOM 617 C MET A 43 -4.014 5.648 3.468 1.00 0.25 C ATOM 618 O MET A 43 -3.072 4.882 3.368 1.00 0.28 O ATOM 619 CB MET A 43 -5.688 5.606 1.689 1.00 0.46 C ATOM 620 CG MET A 43 -6.881 4.926 1.114 1.00 0.73 C ATOM 621 SD MET A 43 -6.532 3.382 0.300 1.00 0.86 S ATOM 622 CE MET A 43 -5.354 2.568 1.373 1.00 0.40 C ATOM 0 H MET A 43 -7.049 6.316 3.582 1.00 0.27 H new ATOM 0 HA MET A 43 -5.396 4.115 3.177 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.848 6.684 1.658 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.824 5.393 1.059 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.601 4.746 1.913 1.00 0.73 H new ATOM 0 HG3 MET A 43 -7.358 5.598 0.401 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.229 1.532 1.057 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.395 3.083 1.317 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.720 2.592 2.400 1.00 0.40 H new ATOM 632 N VAL A 44 -3.923 6.879 3.913 1.00 0.22 N ATOM 633 CA VAL A 44 -2.669 7.448 4.348 1.00 0.22 C ATOM 634 C VAL A 44 -2.061 6.561 5.472 1.00 0.21 C ATOM 635 O VAL A 44 -0.864 6.260 5.457 1.00 0.26 O ATOM 636 CB VAL A 44 -2.871 8.896 4.866 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.545 9.510 5.289 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.531 9.754 3.794 1.00 0.30 C ATOM 0 H VAL A 44 -4.717 7.515 3.984 1.00 0.22 H new ATOM 0 HA VAL A 44 -1.986 7.482 3.499 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.524 8.858 5.738 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.712 10.525 5.648 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.104 8.911 6.086 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.867 9.534 4.436 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.667 10.767 4.172 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.898 9.779 2.907 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.501 9.330 3.535 1.00 0.30 H new ATOM 648 N GLU A 45 -2.929 6.108 6.407 1.00 0.19 N ATOM 649 CA GLU A 45 -2.529 5.224 7.523 1.00 0.18 C ATOM 650 C GLU A 45 -1.891 3.974 6.968 1.00 0.20 C ATOM 651 O GLU A 45 -0.803 3.594 7.354 1.00 0.25 O ATOM 652 CB GLU A 45 -3.744 4.744 8.318 1.00 0.17 C ATOM 653 CG GLU A 45 -4.680 5.806 8.820 1.00 0.29 C ATOM 654 CD GLU A 45 -4.019 6.785 9.742 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.742 6.434 10.908 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.788 7.937 9.338 1.00 0.58 O ATOM 0 H GLU A 45 -3.921 6.345 6.408 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.853 5.797 8.157 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.312 4.057 7.691 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.387 4.172 9.174 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -5.100 6.343 7.970 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.513 5.332 9.340 1.00 0.29 H new ATOM 663 N VAL A 46 -2.596 3.369 6.021 1.00 0.19 N ATOM 664 CA VAL A 46 -2.222 2.120 5.373 1.00 0.22 C ATOM 665 C VAL A 46 -0.823 2.204 4.744 1.00 0.20 C ATOM 666 O VAL A 46 -0.098 1.227 4.693 1.00 0.23 O ATOM 667 CB VAL A 46 -3.251 1.761 4.264 1.00 0.31 C ATOM 668 CG1 VAL A 46 -2.967 0.418 3.642 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.666 1.808 4.791 1.00 0.63 C ATOM 0 H VAL A 46 -3.476 3.749 5.671 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.213 1.347 6.141 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.147 2.516 3.485 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.711 0.209 2.873 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -1.974 0.428 3.193 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.011 -0.355 4.409 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.361 1.552 3.991 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.774 1.094 5.608 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -4.886 2.812 5.155 1.00 0.63 H new ATOM 679 N VAL A 47 -0.435 3.391 4.352 1.00 0.17 N ATOM 680 CA VAL A 47 0.837 3.598 3.665 1.00 0.18 C ATOM 681 C VAL A 47 1.926 3.577 4.691 1.00 0.19 C ATOM 682 O VAL A 47 2.937 2.880 4.545 1.00 0.21 O ATOM 683 CB VAL A 47 0.898 4.958 2.949 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.138 5.036 2.089 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.330 5.203 2.118 1.00 0.54 C ATOM 0 H VAL A 47 -0.979 4.242 4.493 1.00 0.17 H new ATOM 0 HA VAL A 47 0.949 2.811 2.919 1.00 0.18 H new ATOM 0 HB VAL A 47 0.940 5.736 3.712 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.172 6.003 1.586 1.00 0.55 H new ATOM 0 HG12 VAL A 47 3.023 4.921 2.715 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.115 4.240 1.344 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.250 6.173 1.628 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.421 4.422 1.363 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.211 5.192 2.759 1.00 0.54 H new ATOM 695 N VAL A 48 1.702 4.346 5.733 1.00 0.19 N ATOM 696 CA VAL A 48 2.605 4.434 6.853 1.00 0.23 C ATOM 697 C VAL A 48 2.736 3.045 7.482 1.00 0.23 C ATOM 698 O VAL A 48 3.828 2.604 7.832 1.00 0.35 O ATOM 699 CB VAL A 48 2.050 5.447 7.895 1.00 0.31 C ATOM 700 CG1 VAL A 48 2.972 5.579 9.089 1.00 0.42 C ATOM 701 CG2 VAL A 48 1.828 6.812 7.253 1.00 0.33 C ATOM 0 H VAL A 48 0.875 4.935 5.825 1.00 0.19 H new ATOM 0 HA VAL A 48 3.584 4.780 6.522 1.00 0.23 H new ATOM 0 HB VAL A 48 1.094 5.061 8.248 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.552 6.295 9.796 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.079 4.609 9.575 1.00 0.42 H new ATOM 0 HG13 VAL A 48 3.950 5.928 8.757 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.440 7.506 7.999 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.774 7.189 6.864 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.112 6.718 6.437 1.00 0.33 H new ATOM 711 N ALA A 49 1.616 2.326 7.533 1.00 0.18 N ATOM 712 CA ALA A 49 1.575 1.036 8.120 1.00 0.18 C ATOM 713 C ALA A 49 2.343 0.056 7.267 1.00 0.17 C ATOM 714 O ALA A 49 3.046 -0.821 7.787 1.00 0.21 O ATOM 715 CB ALA A 49 0.146 0.576 8.339 1.00 0.20 C ATOM 0 H ALA A 49 0.721 2.644 7.160 1.00 0.18 H new ATOM 0 HA ALA A 49 2.049 1.086 9.100 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.148 -0.416 8.790 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.364 1.275 9.002 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.375 0.538 7.382 1.00 0.20 H new ATOM 721 N ALA A 50 2.217 0.230 5.957 1.00 0.16 N ATOM 722 CA ALA A 50 2.917 -0.572 4.996 1.00 0.18 C ATOM 723 C ALA A 50 4.418 -0.402 5.171 1.00 0.18 C ATOM 724 O ALA A 50 5.125 -1.381 5.419 1.00 0.21 O ATOM 725 CB ALA A 50 2.474 -0.222 3.564 1.00 0.18 C ATOM 0 H ALA A 50 1.617 0.942 5.541 1.00 0.16 H new ATOM 0 HA ALA A 50 2.671 -1.620 5.165 1.00 0.18 H new ATOM 0 HB1 ALA A 50 3.018 -0.843 2.853 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.404 -0.403 3.460 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.685 0.829 3.364 1.00 0.18 H new ATOM 731 N GLU A 51 4.908 0.831 5.125 1.00 0.18 N ATOM 732 CA GLU A 51 6.337 1.042 5.239 1.00 0.23 C ATOM 733 C GLU A 51 6.922 0.586 6.554 1.00 0.23 C ATOM 734 O GLU A 51 7.992 -0.054 6.575 1.00 0.30 O ATOM 735 CB GLU A 51 6.817 2.427 4.761 1.00 0.29 C ATOM 736 CG GLU A 51 6.185 3.683 5.344 1.00 0.31 C ATOM 737 CD GLU A 51 6.656 4.126 6.723 1.00 0.36 C ATOM 738 OE1 GLU A 51 7.626 3.579 7.257 1.00 0.51 O ATOM 739 OE2 GLU A 51 6.092 5.107 7.253 1.00 0.64 O ATOM 0 H GLU A 51 4.350 1.677 5.012 1.00 0.18 H new ATOM 0 HA GLU A 51 6.772 0.360 4.509 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.889 2.484 4.949 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.681 2.465 3.680 1.00 0.29 H new ATOM 0 HG2 GLU A 51 6.360 4.503 4.648 1.00 0.31 H new ATOM 0 HG3 GLU A 51 5.107 3.528 5.389 1.00 0.31 H new ATOM 746 N GLU A 52 6.183 0.808 7.622 1.00 0.22 N ATOM 747 CA GLU A 52 6.598 0.385 8.942 1.00 0.26 C ATOM 748 C GLU A 52 6.623 -1.127 9.087 1.00 0.24 C ATOM 749 O GLU A 52 7.374 -1.668 9.906 1.00 0.35 O ATOM 750 CB GLU A 52 5.747 1.018 10.029 1.00 0.33 C ATOM 751 CG GLU A 52 6.062 2.472 10.253 1.00 0.46 C ATOM 752 CD GLU A 52 5.398 3.028 11.478 1.00 1.20 C ATOM 753 OE1 GLU A 52 5.724 2.559 12.602 1.00 1.50 O ATOM 754 OE2 GLU A 52 4.601 3.974 11.372 1.00 2.07 O ATOM 0 H GLU A 52 5.282 1.285 7.599 1.00 0.22 H new ATOM 0 HA GLU A 52 7.622 0.738 9.067 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.695 0.917 9.763 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.894 0.473 10.961 1.00 0.33 H new ATOM 0 HG2 GLU A 52 7.141 2.596 10.342 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.746 3.046 9.382 1.00 0.46 H new ATOM 761 N ARG A 53 5.830 -1.812 8.304 1.00 0.18 N ATOM 762 CA ARG A 53 5.817 -3.249 8.350 1.00 0.21 C ATOM 763 C ARG A 53 6.930 -3.822 7.485 1.00 0.24 C ATOM 764 O ARG A 53 7.766 -4.590 7.959 1.00 0.37 O ATOM 765 CB ARG A 53 4.454 -3.819 7.900 1.00 0.25 C ATOM 766 CG ARG A 53 4.405 -5.342 7.946 1.00 0.41 C ATOM 767 CD ARG A 53 3.066 -5.913 7.496 1.00 0.49 C ATOM 768 NE ARG A 53 3.117 -7.371 7.440 1.00 1.36 N ATOM 769 CZ ARG A 53 2.061 -8.178 7.518 1.00 1.55 C ATOM 770 NH1 ARG A 53 0.894 -7.732 7.966 1.00 1.19 N ATOM 771 NH2 ARG A 53 2.172 -9.451 7.208 1.00 2.48 N ATOM 0 H ARG A 53 5.187 -1.398 7.629 1.00 0.18 H new ATOM 0 HA ARG A 53 5.982 -3.544 9.386 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.668 -3.416 8.539 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.243 -3.484 6.884 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.196 -5.744 7.312 1.00 0.41 H new ATOM 0 HG3 ARG A 53 4.611 -5.675 8.963 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.282 -5.598 8.184 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.807 -5.516 6.515 1.00 0.49 H new ATOM 0 HE ARG A 53 4.034 -7.805 7.333 1.00 1.36 H new ATOM 0 HH11 ARG A 53 0.797 -6.759 8.256 1.00 1.19 H new ATOM 0 HH12 ARG A 53 0.094 -8.362 8.020 1.00 1.19 H new ATOM 0 HH21 ARG A 53 3.071 -9.826 6.906 1.00 2.48 H new ATOM 0 HH22 ARG A 53 1.359 -10.064 7.270 1.00 2.48 H new ATOM 785 N PHE A 54 6.977 -3.381 6.237 1.00 0.20 N ATOM 786 CA PHE A 54 7.840 -4.015 5.250 1.00 0.26 C ATOM 787 C PHE A 54 9.304 -3.715 5.413 1.00 0.37 C ATOM 788 O PHE A 54 10.106 -4.641 5.300 1.00 0.81 O ATOM 789 CB PHE A 54 7.368 -3.729 3.838 1.00 0.18 C ATOM 790 CG PHE A 54 5.934 -4.028 3.681 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.409 -5.197 4.186 1.00 0.27 C ATOM 792 CD2 PHE A 54 5.097 -3.120 3.108 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.079 -5.446 4.112 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.763 -3.358 3.039 1.00 0.29 C ATOM 795 CZ PHE A 54 3.249 -4.519 3.540 1.00 0.33 C ATOM 0 H PHE A 54 6.433 -2.593 5.885 1.00 0.20 H new ATOM 0 HA PHE A 54 7.749 -5.085 5.439 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.552 -2.682 3.596 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.945 -4.326 3.132 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.064 -5.922 4.646 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.498 -2.202 2.705 1.00 0.19 H new ATOM 0 HE1 PHE A 54 3.676 -6.369 4.502 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.107 -2.628 2.587 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.187 -4.707 3.485 1.00 0.33 H new ATOM 805 N ASP A 55 9.644 -2.420 5.668 1.00 0.23 N ATOM 806 CA ASP A 55 11.058 -1.939 5.932 1.00 0.30 C ATOM 807 C ASP A 55 11.256 -0.544 5.388 1.00 0.21 C ATOM 808 O ASP A 55 12.023 0.243 5.930 1.00 0.44 O ATOM 809 CB ASP A 55 12.166 -2.801 5.270 1.00 0.60 C ATOM 810 CG ASP A 55 13.546 -2.475 5.779 1.00 1.22 C ATOM 811 OD1 ASP A 55 13.915 -2.979 6.866 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.279 -1.730 5.128 1.00 1.99 O ATOM 0 H ASP A 55 8.955 -1.669 5.699 1.00 0.23 H new ATOM 0 HA ASP A 55 11.156 -1.997 7.016 1.00 0.30 H new ATOM 0 HB2 ASP A 55 11.957 -3.855 5.452 1.00 0.60 H new ATOM 0 HB3 ASP A 55 12.138 -2.653 4.190 1.00 0.60 H new ATOM 817 N VAL A 56 10.509 -0.241 4.361 1.00 0.17 N ATOM 818 CA VAL A 56 10.739 0.911 3.533 1.00 0.21 C ATOM 819 C VAL A 56 10.348 2.223 4.236 1.00 0.20 C ATOM 820 O VAL A 56 9.820 2.207 5.340 1.00 0.21 O ATOM 821 CB VAL A 56 9.938 0.709 2.211 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.458 0.721 2.454 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.302 1.665 1.125 1.00 0.37 C ATOM 0 H VAL A 56 9.707 -0.800 4.071 1.00 0.17 H new ATOM 0 HA VAL A 56 11.804 1.001 3.321 1.00 0.21 H new ATOM 0 HB VAL A 56 10.229 -0.279 1.853 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.933 0.577 1.510 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.196 -0.084 3.141 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.168 1.678 2.888 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.700 1.457 0.240 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.114 2.685 1.460 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.358 1.552 0.880 1.00 0.37 H new ATOM 833 N LYS A 57 10.644 3.321 3.610 1.00 0.25 N ATOM 834 CA LYS A 57 10.201 4.596 4.029 1.00 0.25 C ATOM 835 C LYS A 57 9.395 5.189 2.899 1.00 0.22 C ATOM 836 O LYS A 57 9.876 5.277 1.769 1.00 0.28 O ATOM 837 CB LYS A 57 11.382 5.517 4.352 1.00 0.33 C ATOM 838 CG LYS A 57 10.953 6.922 4.735 1.00 0.44 C ATOM 839 CD LYS A 57 10.094 6.910 5.978 1.00 0.89 C ATOM 840 CE LYS A 57 9.458 8.258 6.236 1.00 1.46 C ATOM 841 NZ LYS A 57 10.455 9.353 6.327 1.00 2.12 N ATOM 0 H LYS A 57 11.219 3.344 2.768 1.00 0.25 H new ATOM 0 HA LYS A 57 9.603 4.496 4.935 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.960 5.084 5.169 1.00 0.33 H new ATOM 0 HB3 LYS A 57 12.043 5.568 3.486 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.834 7.541 4.904 1.00 0.44 H new ATOM 0 HG3 LYS A 57 10.400 7.374 3.912 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.315 6.155 5.874 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.702 6.625 6.837 1.00 0.89 H new ATOM 0 HE2 LYS A 57 8.751 8.481 5.436 1.00 1.46 H new ATOM 0 HE3 LYS A 57 8.887 8.214 7.163 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 9.981 10.231 6.621 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 11.183 9.102 7.026 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 10.901 9.495 5.398 1.00 2.12 H new ATOM 855 N ILE A 58 8.175 5.542 3.178 1.00 0.20 N ATOM 856 CA ILE A 58 7.336 6.168 2.194 1.00 0.19 C ATOM 857 C ILE A 58 6.921 7.535 2.714 1.00 0.21 C ATOM 858 O ILE A 58 6.143 7.625 3.669 1.00 0.25 O ATOM 859 CB ILE A 58 6.064 5.331 1.884 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.443 3.891 1.506 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.284 5.983 0.740 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.260 2.972 1.289 1.00 0.24 C ATOM 0 H ILE A 58 7.734 5.406 4.087 1.00 0.20 H new ATOM 0 HA ILE A 58 7.904 6.252 1.268 1.00 0.19 H new ATOM 0 HB ILE A 58 5.439 5.300 2.777 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.043 3.913 0.596 1.00 0.22 H new ATOM 0 HG13 ILE A 58 7.072 3.475 2.293 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.393 5.394 0.525 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.991 6.992 1.028 1.00 0.20 H new ATOM 0 HG23 ILE A 58 5.912 6.028 -0.150 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.616 1.976 1.026 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.670 2.916 2.204 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.641 3.361 0.481 1.00 0.24 H new ATOM 874 N PRO A 59 7.485 8.607 2.151 1.00 0.23 N ATOM 875 CA PRO A 59 7.142 9.985 2.531 1.00 0.28 C ATOM 876 C PRO A 59 5.757 10.355 2.074 1.00 0.24 C ATOM 877 O PRO A 59 5.190 9.676 1.208 1.00 0.21 O ATOM 878 CB PRO A 59 8.120 10.829 1.730 1.00 0.33 C ATOM 879 CG PRO A 59 8.482 9.975 0.569 1.00 0.30 C ATOM 880 CD PRO A 59 8.511 8.576 1.096 1.00 0.25 C ATOM 0 HA PRO A 59 7.185 10.120 3.612 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.665 11.766 1.408 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.998 11.088 2.322 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.753 10.076 -0.235 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.451 10.260 0.159 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.274 7.846 0.322 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.492 8.313 1.492 1.00 0.25 H new ATOM 888 N ASP A 60 5.255 11.466 2.597 1.00 0.30 N ATOM 889 CA ASP A 60 3.946 12.029 2.237 1.00 0.34 C ATOM 890 C ASP A 60 3.840 12.127 0.733 1.00 0.31 C ATOM 891 O ASP A 60 2.834 11.748 0.146 1.00 0.36 O ATOM 892 CB ASP A 60 3.809 13.431 2.837 1.00 0.51 C ATOM 893 CG ASP A 60 2.470 14.079 2.578 1.00 1.25 C ATOM 894 OD1 ASP A 60 2.314 14.696 1.507 1.00 1.92 O ATOM 895 OD2 ASP A 60 1.543 13.947 3.404 1.00 1.98 O ATOM 0 H ASP A 60 5.751 12.017 3.298 1.00 0.30 H new ATOM 0 HA ASP A 60 3.157 11.384 2.624 1.00 0.34 H new ATOM 0 HB2 ASP A 60 3.971 13.372 3.913 1.00 0.51 H new ATOM 0 HB3 ASP A 60 4.595 14.068 2.430 1.00 0.51 H new ATOM 900 N ASP A 61 4.933 12.588 0.131 1.00 0.30 N ATOM 901 CA ASP A 61 5.078 12.734 -1.314 1.00 0.37 C ATOM 902 C ASP A 61 4.672 11.465 -2.050 1.00 0.33 C ATOM 903 O ASP A 61 3.713 11.463 -2.815 1.00 0.46 O ATOM 904 CB ASP A 61 6.531 13.067 -1.648 1.00 0.50 C ATOM 905 CG ASP A 61 6.757 13.321 -3.126 1.00 1.16 C ATOM 906 OD1 ASP A 61 6.523 14.449 -3.597 1.00 1.16 O ATOM 907 OD2 ASP A 61 7.141 12.378 -3.844 1.00 2.06 O ATOM 0 H ASP A 61 5.763 12.878 0.648 1.00 0.30 H new ATOM 0 HA ASP A 61 4.419 13.540 -1.638 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.835 13.948 -1.083 1.00 0.50 H new ATOM 0 HB3 ASP A 61 7.170 12.245 -1.325 1.00 0.50 H new ATOM 912 N ASP A 62 5.345 10.375 -1.738 1.00 0.25 N ATOM 913 CA ASP A 62 5.116 9.111 -2.426 1.00 0.25 C ATOM 914 C ASP A 62 3.824 8.448 -2.018 1.00 0.23 C ATOM 915 O ASP A 62 3.246 7.702 -2.801 1.00 0.28 O ATOM 916 CB ASP A 62 6.290 8.155 -2.302 1.00 0.26 C ATOM 917 CG ASP A 62 7.485 8.590 -3.118 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.429 8.546 -4.368 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.479 9.038 -2.538 1.00 0.44 O ATOM 0 H ASP A 62 6.058 10.335 -1.010 1.00 0.25 H new ATOM 0 HA ASP A 62 5.022 9.369 -3.481 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.580 8.076 -1.254 1.00 0.26 H new ATOM 0 HB3 ASP A 62 5.979 7.161 -2.622 1.00 0.26 H new ATOM 924 N VAL A 63 3.355 8.732 -0.803 1.00 0.22 N ATOM 925 CA VAL A 63 2.040 8.246 -0.320 1.00 0.26 C ATOM 926 C VAL A 63 0.961 8.639 -1.336 1.00 0.29 C ATOM 927 O VAL A 63 0.094 7.849 -1.689 1.00 0.38 O ATOM 928 CB VAL A 63 1.677 8.891 1.074 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.251 8.585 1.495 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.623 8.435 2.161 1.00 0.27 C ATOM 0 H VAL A 63 3.862 9.299 -0.123 1.00 0.22 H new ATOM 0 HA VAL A 63 2.091 7.163 -0.205 1.00 0.26 H new ATOM 0 HB VAL A 63 1.776 9.968 0.940 1.00 0.27 H new ATOM 0 HG11 VAL A 63 0.049 9.050 2.460 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.441 8.979 0.750 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.120 7.506 1.578 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.342 8.899 3.106 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.569 7.351 2.259 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.641 8.725 1.903 1.00 0.27 H new ATOM 940 N LYS A 64 1.081 9.855 -1.821 1.00 0.27 N ATOM 941 CA LYS A 64 0.140 10.447 -2.760 1.00 0.34 C ATOM 942 C LYS A 64 0.388 9.978 -4.205 1.00 0.32 C ATOM 943 O LYS A 64 -0.389 10.277 -5.098 1.00 0.38 O ATOM 944 CB LYS A 64 0.250 11.968 -2.663 1.00 0.44 C ATOM 945 CG LYS A 64 0.060 12.477 -1.238 1.00 0.83 C ATOM 946 CD LYS A 64 0.457 13.936 -1.057 1.00 0.73 C ATOM 947 CE LYS A 64 1.863 14.200 -1.562 1.00 1.59 C ATOM 948 NZ LYS A 64 2.373 15.497 -1.094 1.00 2.16 N ATOM 0 H LYS A 64 1.850 10.477 -1.571 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.867 10.122 -2.497 1.00 0.34 H new ATOM 0 HB2 LYS A 64 1.227 12.283 -3.031 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.497 12.425 -3.312 1.00 0.44 H new ATOM 0 HG2 LYS A 64 -0.985 12.355 -0.953 1.00 0.83 H new ATOM 0 HG3 LYS A 64 0.650 11.861 -0.559 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -0.247 14.574 -1.591 1.00 0.73 H new ATOM 0 HD3 LYS A 64 0.393 14.203 -0.002 1.00 0.73 H new ATOM 0 HE2 LYS A 64 2.527 13.404 -1.224 1.00 1.59 H new ATOM 0 HE3 LYS A 64 1.869 14.178 -2.652 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 3.329 15.651 -1.472 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 1.744 16.257 -1.423 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 2.407 15.502 -0.055 1.00 2.16 H new ATOM 962 N ASN A 65 1.467 9.250 -4.428 1.00 0.26 N ATOM 963 CA ASN A 65 1.801 8.744 -5.749 1.00 0.29 C ATOM 964 C ASN A 65 1.271 7.357 -5.882 1.00 0.28 C ATOM 965 O ASN A 65 0.811 6.936 -6.955 1.00 0.42 O ATOM 966 CB ASN A 65 3.306 8.681 -5.954 1.00 0.36 C ATOM 967 CG ASN A 65 4.017 10.012 -6.198 1.00 0.90 C ATOM 968 OD1 ASN A 65 3.556 11.081 -5.615 1.00 1.59 O flip ATOM 969 ND2 ASN A 65 5.017 10.055 -6.923 1.00 1.43 N flip ATOM 0 H ASN A 65 2.135 8.993 -3.702 1.00 0.26 H new ATOM 0 HA ASN A 65 1.365 9.417 -6.487 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.751 8.213 -5.076 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.508 8.026 -6.801 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.360 9.205 -7.369 1.00 1.43 H new ATOM 0 HD22 ASN A 65 5.499 10.941 -7.075 1.00 1.43 H new ATOM 976 N LEU A 66 1.345 6.636 -4.791 1.00 0.21 N ATOM 977 CA LEU A 66 0.879 5.313 -4.742 1.00 0.23 C ATOM 978 C LEU A 66 -0.616 5.386 -4.743 1.00 0.25 C ATOM 979 O LEU A 66 -1.205 6.114 -3.959 1.00 0.31 O ATOM 980 CB LEU A 66 1.358 4.590 -3.459 1.00 0.22 C ATOM 981 CG LEU A 66 2.854 4.682 -3.083 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.171 3.759 -1.908 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.761 4.392 -4.268 1.00 0.23 C ATOM 0 H LEU A 66 1.739 6.974 -3.913 1.00 0.21 H new ATOM 0 HA LEU A 66 1.263 4.750 -5.593 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.780 4.980 -2.622 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.104 3.535 -3.557 1.00 0.22 H new ATOM 0 HG LEU A 66 3.051 5.710 -2.778 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.229 3.838 -1.658 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.572 4.050 -1.045 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.939 2.730 -2.181 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.803 4.468 -3.956 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.566 3.385 -4.638 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.566 5.114 -5.061 1.00 0.23 H new ATOM 995 N LYS A 67 -1.217 4.728 -5.648 1.00 0.28 N ATOM 996 CA LYS A 67 -2.647 4.677 -5.675 1.00 0.34 C ATOM 997 C LYS A 67 -3.150 3.250 -5.801 1.00 0.30 C ATOM 998 O LYS A 67 -4.262 2.926 -5.384 1.00 0.38 O ATOM 999 CB LYS A 67 -3.293 5.694 -6.673 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.521 6.016 -7.959 1.00 1.05 C ATOM 1001 CD LYS A 67 -2.376 4.834 -8.878 1.00 1.26 C ATOM 1002 CE LYS A 67 -1.660 5.211 -10.172 1.00 1.83 C ATOM 1003 NZ LYS A 67 -0.273 5.694 -9.946 1.00 2.55 N ATOM 0 H LYS A 67 -0.752 4.208 -6.392 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.999 5.028 -4.705 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -4.273 5.310 -6.957 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -3.460 6.629 -6.138 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -3.032 6.819 -8.490 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -1.530 6.387 -7.696 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -1.821 4.045 -8.371 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -3.362 4.431 -9.111 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -1.634 4.345 -10.833 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -2.230 5.986 -10.684 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 0.140 5.999 -10.850 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 -0.288 6.496 -9.284 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 0.301 4.925 -9.545 1.00 2.55 H new ATOM 1017 N THR A 68 -2.319 2.390 -6.345 1.00 0.23 N ATOM 1018 CA THR A 68 -2.599 1.005 -6.403 1.00 0.19 C ATOM 1019 C THR A 68 -1.566 0.298 -5.589 1.00 0.18 C ATOM 1020 O THR A 68 -0.561 0.911 -5.174 1.00 0.20 O ATOM 1021 CB THR A 68 -2.549 0.448 -7.841 1.00 0.18 C ATOM 1022 OG1 THR A 68 -1.209 0.488 -8.342 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.452 1.241 -8.760 1.00 0.22 C ATOM 0 H THR A 68 -1.425 2.653 -6.759 1.00 0.23 H new ATOM 0 HA THR A 68 -3.609 0.846 -6.024 1.00 0.19 H new ATOM 0 HB THR A 68 -2.896 -0.585 -7.812 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.960 1.416 -8.535 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.399 0.828 -9.767 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.479 1.185 -8.399 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.130 2.282 -8.777 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.746 -0.984 -5.381 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.764 -1.738 -4.676 1.00 0.18 C ATOM 1033 C VAL A 69 0.373 -2.060 -5.591 1.00 0.15 C ATOM 1034 O VAL A 69 1.465 -2.388 -5.156 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.343 -2.954 -3.867 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.801 -3.151 -4.183 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.565 -4.257 -4.052 1.00 1.21 C ATOM 0 H VAL A 69 -2.560 -1.515 -5.691 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.363 -1.116 -3.876 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.229 -2.694 -2.815 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -3.186 -3.997 -3.614 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.356 -2.252 -3.916 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.919 -3.347 -5.249 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.030 -5.045 -3.460 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.574 -4.540 -5.105 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.465 -4.116 -3.723 1.00 1.21 H new ATOM 1047 N GLY A 70 0.133 -1.844 -6.877 1.00 0.14 N ATOM 1048 CA GLY A 70 1.185 -2.024 -7.840 1.00 0.16 C ATOM 1049 C GLY A 70 2.245 -0.979 -7.634 1.00 0.19 C ATOM 1050 O GLY A 70 3.427 -1.298 -7.530 1.00 0.33 O ATOM 0 H GLY A 70 -0.765 -1.550 -7.262 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.618 -3.019 -7.739 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.782 -1.953 -8.850 1.00 0.16 H new ATOM 1054 N ASP A 71 1.792 0.263 -7.486 1.00 0.17 N ATOM 1055 CA ASP A 71 2.671 1.408 -7.221 1.00 0.20 C ATOM 1056 C ASP A 71 3.372 1.173 -5.924 1.00 0.17 C ATOM 1057 O ASP A 71 4.604 1.180 -5.856 1.00 0.20 O ATOM 1058 CB ASP A 71 1.872 2.709 -7.018 1.00 0.32 C ATOM 1059 CG ASP A 71 0.944 3.096 -8.115 1.00 0.87 C ATOM 1060 OD1 ASP A 71 1.360 3.688 -9.112 1.00 1.28 O ATOM 1061 OD2 ASP A 71 -0.248 2.842 -7.975 1.00 1.39 O ATOM 0 H ASP A 71 0.804 0.509 -7.546 1.00 0.17 H new ATOM 0 HA ASP A 71 3.344 1.504 -8.073 1.00 0.20 H new ATOM 0 HB2 ASP A 71 1.293 2.614 -6.099 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.580 3.524 -6.866 1.00 0.32 H new ATOM 1066 N ALA A 72 2.547 0.942 -4.892 1.00 0.15 N ATOM 1067 CA ALA A 72 2.998 0.789 -3.524 1.00 0.13 C ATOM 1068 C ALA A 72 4.080 -0.213 -3.412 1.00 0.12 C ATOM 1069 O ALA A 72 5.197 0.117 -3.072 1.00 0.14 O ATOM 1070 CB ALA A 72 1.841 0.334 -2.655 1.00 0.13 C ATOM 0 H ALA A 72 1.536 0.857 -4.998 1.00 0.15 H new ATOM 0 HA ALA A 72 3.378 1.756 -3.196 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.182 0.219 -1.626 1.00 0.13 H new ATOM 0 HB2 ALA A 72 1.044 1.076 -2.693 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.465 -0.621 -3.021 1.00 0.13 H new ATOM 1076 N THR A 73 3.758 -1.402 -3.778 1.00 0.11 N ATOM 1077 CA THR A 73 4.638 -2.513 -3.639 1.00 0.13 C ATOM 1078 C THR A 73 5.974 -2.328 -4.366 1.00 0.16 C ATOM 1079 O THR A 73 7.043 -2.600 -3.784 1.00 0.24 O ATOM 1080 CB THR A 73 3.958 -3.777 -4.093 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.724 -3.912 -3.386 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.825 -4.941 -3.791 1.00 0.17 C ATOM 0 H THR A 73 2.856 -1.638 -4.192 1.00 0.11 H new ATOM 0 HA THR A 73 4.878 -2.587 -2.578 1.00 0.13 H new ATOM 0 HB THR A 73 3.773 -3.734 -5.166 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.071 -3.275 -3.744 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.333 -5.856 -4.120 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.775 -4.832 -4.314 1.00 0.17 H new ATOM 0 HG23 THR A 73 5.005 -4.991 -2.717 1.00 0.17 H new ATOM 1090 N LYS A 74 5.907 -1.870 -5.610 1.00 0.17 N ATOM 1091 CA LYS A 74 7.079 -1.614 -6.403 1.00 0.20 C ATOM 1092 C LYS A 74 7.967 -0.641 -5.683 1.00 0.23 C ATOM 1093 O LYS A 74 9.162 -0.847 -5.586 1.00 0.45 O ATOM 1094 CB LYS A 74 6.683 -1.001 -7.725 1.00 0.25 C ATOM 1095 CG LYS A 74 6.681 -1.929 -8.948 1.00 0.98 C ATOM 1096 CD LYS A 74 5.693 -3.079 -8.859 1.00 2.21 C ATOM 1097 CE LYS A 74 5.672 -3.844 -10.174 1.00 2.92 C ATOM 1098 NZ LYS A 74 4.728 -4.980 -10.168 1.00 3.63 N ATOM 0 H LYS A 74 5.030 -1.668 -6.089 1.00 0.17 H new ATOM 0 HA LYS A 74 7.601 -2.556 -6.570 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.684 -0.579 -7.618 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.359 -0.171 -7.930 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.455 -1.339 -9.836 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.683 -2.336 -9.082 1.00 0.98 H new ATOM 0 HD2 LYS A 74 5.971 -3.747 -8.044 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.697 -2.698 -8.633 1.00 2.21 H new ATOM 0 HE2 LYS A 74 5.405 -3.161 -10.980 1.00 2.92 H new ATOM 0 HE3 LYS A 74 6.675 -4.214 -10.389 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 4.795 -5.492 -11.071 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 4.965 -5.624 -9.386 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 3.758 -4.625 -10.043 1.00 3.63 H new ATOM 1112 N TYR A 75 7.342 0.398 -5.151 1.00 0.16 N ATOM 1113 CA TYR A 75 8.011 1.462 -4.445 1.00 0.16 C ATOM 1114 C TYR A 75 8.652 0.967 -3.166 1.00 0.16 C ATOM 1115 O TYR A 75 9.808 1.287 -2.866 1.00 0.19 O ATOM 1116 CB TYR A 75 7.013 2.545 -4.093 1.00 0.16 C ATOM 1117 CG TYR A 75 7.660 3.707 -3.395 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.438 4.615 -4.085 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.524 3.863 -2.029 1.00 0.21 C ATOM 1120 CE1 TYR A 75 9.066 5.644 -3.429 1.00 0.32 C ATOM 1121 CE2 TYR A 75 8.138 4.888 -1.369 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.913 5.779 -2.068 1.00 0.28 C ATOM 1123 OH TYR A 75 9.548 6.811 -1.408 1.00 0.40 O ATOM 0 H TYR A 75 6.331 0.521 -5.204 1.00 0.16 H new ATOM 0 HA TYR A 75 8.791 1.852 -5.100 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.524 2.896 -5.002 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.235 2.127 -3.454 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.554 4.514 -5.154 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.921 3.161 -1.473 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.677 6.345 -3.978 1.00 0.32 H new ATOM 0 HE2 TYR A 75 8.014 4.997 -0.302 1.00 0.26 H new ATOM 0 HH TYR A 75 9.284 7.666 -1.807 1.00 0.40 H new ATOM 1133 N ILE A 76 7.876 0.234 -2.415 1.00 0.14 N ATOM 1134 CA ILE A 76 8.278 -0.318 -1.152 1.00 0.16 C ATOM 1135 C ILE A 76 9.543 -1.135 -1.316 1.00 0.17 C ATOM 1136 O ILE A 76 10.575 -0.738 -0.832 1.00 0.21 O ATOM 1137 CB ILE A 76 7.119 -1.162 -0.581 1.00 0.15 C ATOM 1138 CG1 ILE A 76 5.982 -0.231 -0.215 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.548 -1.948 0.641 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.674 -0.924 -0.043 1.00 0.13 C ATOM 0 H ILE A 76 6.918 -0.002 -2.674 1.00 0.14 H new ATOM 0 HA ILE A 76 8.502 0.483 -0.447 1.00 0.16 H new ATOM 0 HB ILE A 76 6.803 -1.880 -1.338 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.233 0.289 0.710 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.882 0.529 -0.990 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.705 -2.529 1.014 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.363 -2.621 0.373 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.885 -1.260 1.416 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.907 -0.195 0.218 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.400 -1.421 -0.974 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.756 -1.664 0.753 1.00 0.13 H new ATOM 1152 N LEU A 77 9.453 -2.221 -2.051 1.00 0.17 N ATOM 1153 CA LEU A 77 10.550 -3.141 -2.310 1.00 0.20 C ATOM 1154 C LEU A 77 11.773 -2.348 -2.826 1.00 0.22 C ATOM 1155 O LEU A 77 12.904 -2.550 -2.364 1.00 0.29 O ATOM 1156 CB LEU A 77 10.044 -4.089 -3.404 1.00 0.23 C ATOM 1157 CG LEU A 77 10.747 -5.416 -3.706 1.00 0.78 C ATOM 1158 CD1 LEU A 77 10.000 -6.059 -4.843 1.00 1.08 C ATOM 1159 CD2 LEU A 77 12.218 -5.255 -4.083 1.00 1.44 C ATOM 0 H LEU A 77 8.583 -2.503 -2.504 1.00 0.17 H new ATOM 0 HA LEU A 77 10.852 -3.684 -1.414 1.00 0.20 H new ATOM 0 HB2 LEU A 77 9.009 -4.328 -3.161 1.00 0.23 H new ATOM 0 HB3 LEU A 77 10.030 -3.520 -4.334 1.00 0.23 H new ATOM 0 HG LEU A 77 10.738 -6.026 -2.803 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.468 -7.011 -5.093 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.965 -6.230 -4.548 1.00 1.08 H new ATOM 0 HD13 LEU A 77 10.026 -5.402 -5.713 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.652 -6.235 -4.283 1.00 1.44 H new ATOM 0 HD22 LEU A 77 12.299 -4.633 -4.975 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.755 -4.782 -3.261 1.00 1.44 H new ATOM 1171 N ASP A 78 11.481 -1.386 -3.709 1.00 0.22 N ATOM 1172 CA ASP A 78 12.471 -0.560 -4.409 1.00 0.29 C ATOM 1173 C ASP A 78 13.316 0.169 -3.406 1.00 0.30 C ATOM 1174 O ASP A 78 14.529 0.273 -3.535 1.00 0.36 O ATOM 1175 CB ASP A 78 11.729 0.492 -5.253 1.00 0.45 C ATOM 1176 CG ASP A 78 12.607 1.285 -6.204 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.406 2.135 -5.750 1.00 0.59 O ATOM 1178 OD2 ASP A 78 12.461 1.115 -7.432 1.00 0.63 O ATOM 0 H ASP A 78 10.521 -1.154 -3.964 1.00 0.22 H new ATOM 0 HA ASP A 78 13.095 -1.197 -5.036 1.00 0.29 H new ATOM 0 HB2 ASP A 78 10.953 -0.009 -5.831 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.227 1.187 -4.581 1.00 0.45 H new ATOM 1183 N HIS A 79 12.665 0.648 -2.391 1.00 0.29 N ATOM 1184 CA HIS A 79 13.302 1.444 -1.397 1.00 0.36 C ATOM 1185 C HIS A 79 13.615 0.689 -0.101 1.00 0.42 C ATOM 1186 O HIS A 79 14.085 1.299 0.853 1.00 0.58 O ATOM 1187 CB HIS A 79 12.496 2.710 -1.120 1.00 0.38 C ATOM 1188 CG HIS A 79 12.638 3.794 -2.141 1.00 0.61 C ATOM 1189 ND1 HIS A 79 13.359 4.939 -1.914 1.00 0.99 N ATOM 1190 CD2 HIS A 79 12.131 3.923 -3.389 1.00 0.87 C ATOM 1191 CE1 HIS A 79 13.292 5.719 -2.965 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.556 5.130 -3.874 1.00 1.18 N ATOM 0 H HIS A 79 11.669 0.494 -2.231 1.00 0.29 H new ATOM 0 HA HIS A 79 14.271 1.723 -1.811 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.442 2.441 -1.044 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.795 3.106 -0.149 1.00 0.38 H new ATOM 0 HD2 HIS A 79 11.508 3.208 -3.905 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.764 6.685 -3.065 1.00 1.25 H new ATOM 0 HE2 HIS A 79 12.335 5.510 -4.795 1.00 1.18 H new ATOM 1201 N GLN A 80 13.351 -0.618 -0.035 1.00 0.39 N ATOM 1202 CA GLN A 80 13.747 -1.356 1.158 1.00 0.49 C ATOM 1203 C GLN A 80 15.144 -1.805 0.962 1.00 0.58 C ATOM 1204 O GLN A 80 16.065 -1.437 1.682 1.00 0.83 O ATOM 1205 CB GLN A 80 12.964 -2.623 1.385 1.00 0.67 C ATOM 1206 CG GLN A 80 11.488 -2.594 1.223 1.00 0.52 C ATOM 1207 CD GLN A 80 10.932 -3.994 1.341 1.00 0.57 C ATOM 1208 OE1 GLN A 80 11.607 -4.972 1.056 1.00 0.87 O ATOM 1209 NE2 GLN A 80 9.709 -4.098 1.660 1.00 0.56 N ATOM 0 H GLN A 80 12.886 -1.164 -0.760 1.00 0.39 H new ATOM 0 HA GLN A 80 13.587 -0.684 2.001 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.355 -3.379 0.704 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.178 -2.965 2.398 1.00 0.67 H new ATOM 0 HG2 GLN A 80 11.042 -1.951 1.982 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.228 -2.170 0.253 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.170 -3.264 1.893 1.00 0.56 H new ATOM 0 HE22 GLN A 80 9.264 -5.016 1.683 1.00 0.56 H new ATOM 1218 N ALA A 81 15.257 -2.572 -0.057 1.00 0.71 N ATOM 1219 CA ALA A 81 16.464 -3.264 -0.435 1.00 1.01 C ATOM 1220 C ALA A 81 17.581 -2.305 -0.809 1.00 1.44 C ATOM 1221 O ALA A 81 18.531 -2.137 -0.017 1.00 1.97 O ATOM 1222 CB ALA A 81 16.162 -4.229 -1.562 1.00 1.30 C ATOM 1223 OXT ALA A 81 17.514 -1.689 -1.884 1.00 1.97 O ATOM 0 H ALA A 81 14.480 -2.753 -0.692 1.00 0.71 H new ATOM 0 HA ALA A 81 16.821 -3.826 0.428 1.00 1.01 H new ATOM 0 HB1 ALA A 81 17.075 -4.752 -1.848 1.00 1.30 H new ATOM 0 HB2 ALA A 81 15.417 -4.953 -1.231 1.00 1.30 H new ATOM 0 HB3 ALA A 81 15.776 -3.678 -2.420 1.00 1.30 H new TER 1229 ALA A 81 HETATM 1230 C1 SYO A 101 -3.146 6.811 0.068 1.00 0.56 C HETATM 1231 S1 SYO A 101 -3.890 8.446 0.372 1.00 0.76 S HETATM 1232 C2 SYO A 101 -3.132 6.377 -1.379 1.00 0.69 C HETATM 1233 C3 SYO A 101 -2.999 4.875 -1.514 1.00 0.54 C HETATM 1234 O3 SYO A 101 -4.001 4.157 -1.565 1.00 0.86 O HETATM 1235 C4 SYO A 101 -1.628 4.272 -1.549 1.00 0.47 C HETATM 1236 C5 SYO A 101 -1.428 3.205 -0.508 1.00 0.58 C HETATM 1237 C6 SYO A 101 0.020 2.815 -0.432 1.00 0.57 C HETATM 1238 C7 SYO A 101 0.256 1.757 0.609 1.00 0.49 C HETATM 1239 C8 SYO A 101 1.731 1.486 0.698 1.00 0.47 C HETATM 1240 O23 SYO A 101 -11.412 10.444 -0.812 1.00 1.37 O HETATM 1241 P24 SYO A 101 -10.040 10.814 -0.310 1.00 0.96 P HETATM 1242 O26 SYO A 101 -9.946 11.806 0.770 1.00 1.27 O HETATM 1243 O27 SYO A 101 -9.225 11.342 -1.519 1.00 1.04 O HETATM 1244 C28 SYO A 101 -9.028 10.393 -2.609 1.00 0.84 C HETATM 1245 C29 SYO A 101 -8.737 11.111 -3.929 1.00 0.82 C HETATM 1246 C30 SYO A 101 -9.891 12.066 -4.171 1.00 1.03 C HETATM 1247 C31 SYO A 101 -7.425 11.903 -3.833 1.00 0.73 C HETATM 1248 C32 SYO A 101 -8.667 10.061 -5.130 1.00 0.93 C HETATM 1249 O33 SYO A 101 -8.997 10.655 -6.369 1.00 1.10 O HETATM 1250 C34 SYO A 101 -7.346 9.344 -5.292 1.00 0.83 C HETATM 1251 O35 SYO A 101 -6.833 9.295 -6.423 1.00 0.96 O HETATM 1252 N36 SYO A 101 -6.830 8.799 -4.228 1.00 0.71 N HETATM 1253 C37 SYO A 101 -5.559 8.037 -4.178 1.00 0.70 C HETATM 1254 C38 SYO A 101 -4.331 8.831 -4.677 1.00 0.66 C HETATM 1255 C39 SYO A 101 -3.822 9.907 -3.743 1.00 0.47 C HETATM 1256 O40 SYO A 101 -3.512 11.033 -4.156 1.00 0.53 O HETATM 1257 N41 SYO A 101 -3.735 9.550 -2.489 1.00 0.38 N HETATM 1258 C42 SYO A 101 -3.270 10.397 -1.444 1.00 0.43 C HETATM 1259 C43 SYO A 101 -2.687 9.576 -0.329 1.00 0.71 C HETATM 0 HO33 SYO A 101 -8.330 10.402 -7.041 1.00 1.10 H new HETATM 0 HN41 SYO A 101 -4.019 8.602 -2.243 1.00 0.38 H new HETATM 0 HN36 SYO A 101 -7.344 8.905 -3.354 1.00 0.71 H new HETATM 0 H43A SYO A 101 -2.313 10.238 0.452 1.00 0.71 H new HETATM 0 H42A SYO A 101 -2.517 11.084 -1.831 1.00 0.43 H new HETATM 0 H38A SYO A 101 -3.520 8.128 -4.868 1.00 0.66 H new HETATM 0 H37A SYO A 101 -5.379 7.717 -3.152 1.00 0.70 H new HETATM 0 H31B SYO A 101 -7.505 12.644 -3.037 1.00 0.73 H new HETATM 0 H31A SYO A 101 -6.604 11.221 -3.613 1.00 0.73 H new HETATM 0 H30B SYO A 101 -10.822 11.503 -4.234 1.00 1.03 H new HETATM 0 H30A SYO A 101 -9.952 12.778 -3.348 1.00 1.03 H new HETATM 0 H28A SYO A 101 -8.202 9.725 -2.367 1.00 0.84 H new HETATM 0 H8B SYO A 101 2.096 1.140 -0.269 1.00 0.47 H new HETATM 0 H8A SYO A 101 2.253 2.401 0.977 1.00 0.47 H new HETATM 0 H8 SYO A 101 1.915 0.719 1.451 1.00 0.47 H new HETATM 0 H7A SYO A 101 -0.126 2.086 1.575 1.00 0.49 H new HETATM 0 H7 SYO A 101 -0.280 0.845 0.348 1.00 0.49 H new HETATM 0 H6A SYO A 101 0.350 2.449 -1.404 1.00 0.57 H new HETATM 0 H6 SYO A 101 0.622 3.694 -0.201 1.00 0.57 H new HETATM 0 H5A SYO A 101 -1.765 3.567 0.463 1.00 0.58 H new HETATM 0 H5 SYO A 101 -2.034 2.332 -0.751 1.00 0.58 H new HETATM 0 H4A SYO A 101 -1.450 3.846 -2.536 1.00 0.47 H new HETATM 0 H43 SYO A 101 -1.833 9.011 -0.703 1.00 0.71 H new HETATM 0 H42 SYO A 101 -4.092 11.005 -1.066 1.00 0.43 H new HETATM 0 H4 SYO A 101 -0.887 5.058 -1.402 1.00 0.47 H new HETATM 0 H38 SYO A 101 -4.584 9.293 -5.631 1.00 0.66 H new HETATM 0 H37 SYO A 101 -5.664 7.134 -4.780 1.00 0.70 H new HETATM 0 H32 SYO A 101 -9.406 9.313 -4.843 1.00 0.93 H new HETATM 0 H31 SYO A 101 -7.234 12.407 -4.780 1.00 0.73 H new HETATM 0 H30 SYO A 101 -9.729 12.604 -5.105 1.00 1.03 H new HETATM 0 H2A SYO A 101 -4.050 6.706 -1.866 1.00 0.69 H new HETATM 0 H28 SYO A 101 -9.918 9.773 -2.719 1.00 0.84 H new HETATM 0 H2 SYO A 101 -2.305 6.863 -1.896 1.00 0.69 H new HETATM 0 H1A SYO A 101 -2.121 6.820 0.439 1.00 0.56 H new HETATM 0 H1 SYO A 101 -3.690 6.067 0.650 1.00 0.56 H new