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 75 TYR OH : rot 27:sc= 0.233 USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0 X(o=0.23,f=0.17) USER MOD Single : A 1 ALA N :NH3+ -159:sc= 0.278 (180deg=0.0134) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 4 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.082) USER MOD Single : A 16 ASN : amide:sc= -8.6! C(o=-8.6!,f=-13!) 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 85:sc= 0.281 USER MOD Single : A 33 THR OG1 : rot -100:sc= 0.456 USER MOD Single : A 42 SER OG : rot 72:sc= 1.16 USER MOD Single : A 43 MET CE :methyl 152:sc= -4.22! (180deg=-4.77!) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00447) USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= -0.0577 (180deg=-0.397) USER MOD Single : A 65 ASN : amide:sc= -0.582 K(o=-0.58,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -78:sc= 1.22 USER MOD Single : A 73 THR OG1 : rot 75:sc= 0.541 USER MOD Single : A 74 LYS NZ :NH3+ -162:sc= -0.0492 (180deg=-0.381) USER MOD Single : A 80 GLN : amide:sc= -1.09 K(o=-1.1,f=-6.3!) USER MOD Single : A 101 SYO O33 : rot 119:sc= 0.224 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.794 -5.328 5.193 1.00 1.42 N ATOM 2 CA ALA A 1 14.517 -5.482 3.763 1.00 0.94 C ATOM 3 C ALA A 1 13.817 -6.792 3.527 1.00 0.83 C ATOM 4 O ALA A 1 14.217 -7.826 4.060 1.00 1.23 O ATOM 5 CB ALA A 1 15.797 -5.387 2.946 1.00 1.13 C ATOM 0 H1 ALA A 1 14.940 -4.322 5.412 1.00 1.42 H new ATOM 0 H2 ALA A 1 13.989 -5.689 5.743 1.00 1.42 H new ATOM 0 H3 ALA A 1 15.651 -5.863 5.440 1.00 1.42 H new ATOM 0 HA ALA A 1 13.866 -4.671 3.437 1.00 0.94 H new ATOM 0 HB1 ALA A 1 15.563 -5.505 1.888 1.00 1.13 H new ATOM 0 HB2 ALA A 1 16.261 -4.414 3.109 1.00 1.13 H new ATOM 0 HB3 ALA A 1 16.485 -6.174 3.255 1.00 1.13 H new ATOM 13 N ALA A 2 12.781 -6.751 2.745 1.00 0.85 N ATOM 14 CA ALA A 2 11.993 -7.894 2.447 1.00 1.24 C ATOM 15 C ALA A 2 11.745 -7.919 0.945 1.00 1.16 C ATOM 16 O ALA A 2 12.511 -7.353 0.177 1.00 1.77 O ATOM 17 CB ALA A 2 10.682 -7.807 3.223 1.00 1.85 C ATOM 0 H ALA A 2 12.458 -5.898 2.289 1.00 0.85 H new ATOM 0 HA ALA A 2 12.501 -8.813 2.738 1.00 1.24 H new ATOM 0 HB1 ALA A 2 10.069 -8.681 3.001 1.00 1.85 H new ATOM 0 HB2 ALA A 2 10.893 -7.774 4.292 1.00 1.85 H new ATOM 0 HB3 ALA A 2 10.146 -6.904 2.931 1.00 1.85 H new ATOM 23 N THR A 3 10.694 -8.549 0.541 1.00 0.54 N ATOM 24 CA THR A 3 10.373 -8.657 -0.847 1.00 0.48 C ATOM 25 C THR A 3 8.884 -8.360 -1.047 1.00 0.35 C ATOM 26 O THR A 3 8.157 -8.188 -0.063 1.00 0.35 O ATOM 27 CB THR A 3 10.768 -10.069 -1.409 1.00 0.59 C ATOM 28 OG1 THR A 3 10.452 -10.194 -2.810 1.00 0.66 O ATOM 29 CG2 THR A 3 10.075 -11.183 -0.628 1.00 0.66 C ATOM 0 H THR A 3 10.029 -9.006 1.165 1.00 0.54 H new ATOM 0 HA THR A 3 10.951 -7.924 -1.410 1.00 0.48 H new ATOM 0 HB THR A 3 11.847 -10.166 -1.290 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.713 -11.084 -3.126 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.366 -12.150 -1.038 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.369 -11.130 0.420 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.994 -11.065 -0.708 1.00 0.66 H new ATOM 37 N GLN A 4 8.448 -8.315 -2.306 1.00 0.32 N ATOM 38 CA GLN A 4 7.058 -8.076 -2.707 1.00 0.28 C ATOM 39 C GLN A 4 6.068 -8.938 -1.951 1.00 0.27 C ATOM 40 O GLN A 4 4.961 -8.478 -1.654 1.00 0.26 O ATOM 41 CB GLN A 4 6.907 -8.271 -4.226 1.00 0.33 C ATOM 42 CG GLN A 4 5.483 -8.129 -4.774 1.00 0.37 C ATOM 43 CD GLN A 4 4.747 -9.446 -4.965 1.00 0.39 C ATOM 44 OE1 GLN A 4 4.831 -10.063 -6.026 1.00 0.74 O ATOM 45 NE2 GLN A 4 4.004 -9.868 -3.972 1.00 0.48 N ATOM 0 H GLN A 4 9.072 -8.448 -3.102 1.00 0.32 H new ATOM 0 HA GLN A 4 6.822 -7.044 -2.449 1.00 0.28 H new ATOM 0 HB2 GLN A 4 7.546 -7.547 -4.732 1.00 0.33 H new ATOM 0 HB3 GLN A 4 7.280 -9.262 -4.486 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.907 -7.500 -4.095 1.00 0.37 H new ATOM 0 HG3 GLN A 4 5.526 -7.609 -5.731 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.957 -9.331 -3.106 1.00 0.48 H new ATOM 0 HE22 GLN A 4 3.472 -10.733 -4.065 1.00 0.48 H new ATOM 54 N GLU A 5 6.451 -10.177 -1.672 1.00 0.33 N ATOM 55 CA GLU A 5 5.609 -11.125 -0.936 1.00 0.40 C ATOM 56 C GLU A 5 5.123 -10.506 0.369 1.00 0.39 C ATOM 57 O GLU A 5 3.932 -10.386 0.587 1.00 0.55 O ATOM 58 CB GLU A 5 6.389 -12.394 -0.663 1.00 0.57 C ATOM 59 CG GLU A 5 6.823 -13.113 -1.921 1.00 0.85 C ATOM 60 CD GLU A 5 7.684 -14.301 -1.629 1.00 1.88 C ATOM 61 OE1 GLU A 5 7.143 -15.354 -1.253 1.00 2.37 O ATOM 62 OE2 GLU A 5 8.912 -14.210 -1.758 1.00 2.66 O ATOM 0 H GLU A 5 7.356 -10.559 -1.948 1.00 0.33 H new ATOM 0 HA GLU A 5 4.736 -11.368 -1.542 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.270 -12.150 -0.070 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.777 -13.066 -0.062 1.00 0.57 H new ATOM 0 HG2 GLU A 5 5.941 -13.434 -2.476 1.00 0.85 H new ATOM 0 HG3 GLU A 5 7.369 -12.421 -2.562 1.00 0.85 H new ATOM 69 N GLU A 6 6.074 -10.031 1.170 1.00 0.36 N ATOM 70 CA GLU A 6 5.803 -9.358 2.451 1.00 0.42 C ATOM 71 C GLU A 6 4.895 -8.158 2.229 1.00 0.32 C ATOM 72 O GLU A 6 3.994 -7.881 3.016 1.00 0.37 O ATOM 73 CB GLU A 6 7.136 -8.836 3.035 1.00 0.55 C ATOM 74 CG GLU A 6 7.027 -8.016 4.334 1.00 0.82 C ATOM 75 CD GLU A 6 6.584 -8.812 5.537 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.382 -9.577 6.112 1.00 2.05 O ATOM 77 OE2 GLU A 6 5.397 -8.723 5.895 1.00 2.73 O ATOM 0 H GLU A 6 7.068 -10.100 0.951 1.00 0.36 H new ATOM 0 HA GLU A 6 5.327 -10.068 3.128 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.788 -9.690 3.221 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.625 -8.220 2.280 1.00 0.55 H new ATOM 0 HG2 GLU A 6 7.996 -7.566 4.548 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.324 -7.198 4.175 1.00 0.82 H new ATOM 84 N ILE A 7 5.117 -7.487 1.116 1.00 0.21 N ATOM 85 CA ILE A 7 4.492 -6.243 0.857 1.00 0.16 C ATOM 86 C ILE A 7 3.027 -6.430 0.494 1.00 0.14 C ATOM 87 O ILE A 7 2.177 -6.054 1.241 1.00 0.18 O ATOM 88 CB ILE A 7 5.263 -5.551 -0.270 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.721 -5.371 0.173 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.628 -4.218 -0.593 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.647 -4.877 -0.898 1.00 0.23 C ATOM 0 H ILE A 7 5.741 -7.806 0.375 1.00 0.21 H new ATOM 0 HA ILE A 7 4.513 -5.622 1.752 1.00 0.16 H new ATOM 0 HB ILE A 7 5.234 -6.160 -1.173 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.748 -4.672 1.009 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.094 -6.326 0.544 1.00 0.18 H new ATOM 0 HG21 ILE A 7 5.185 -3.735 -1.396 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.596 -4.373 -0.909 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.644 -3.583 0.293 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.654 -4.781 -0.492 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.656 -5.585 -1.726 1.00 0.23 H new ATOM 0 HD13 ILE A 7 7.305 -3.905 -1.255 1.00 0.23 H new ATOM 103 N VAL A 8 2.755 -7.039 -0.610 1.00 0.13 N ATOM 104 CA VAL A 8 1.376 -7.266 -1.041 1.00 0.15 C ATOM 105 C VAL A 8 0.582 -8.084 -0.033 1.00 0.18 C ATOM 106 O VAL A 8 -0.535 -7.691 0.339 1.00 0.25 O ATOM 107 CB VAL A 8 1.325 -7.897 -2.444 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.105 -8.167 -2.893 1.00 0.27 C ATOM 109 CG2 VAL A 8 2.012 -6.992 -3.429 1.00 0.17 C ATOM 0 H VAL A 8 3.462 -7.400 -1.251 1.00 0.13 H new ATOM 0 HA VAL A 8 0.897 -6.288 -1.097 1.00 0.15 H new ATOM 0 HB VAL A 8 1.841 -8.856 -2.400 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.096 -8.612 -3.888 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.583 -8.852 -2.193 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.661 -7.230 -2.920 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.975 -7.440 -4.422 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.508 -6.026 -3.448 1.00 0.17 H new ATOM 0 HG23 VAL A 8 3.052 -6.853 -3.132 1.00 0.17 H new ATOM 119 N ALA A 9 1.160 -9.170 0.447 1.00 0.18 N ATOM 120 CA ALA A 9 0.470 -10.014 1.392 1.00 0.22 C ATOM 121 C ALA A 9 0.186 -9.258 2.688 1.00 0.21 C ATOM 122 O ALA A 9 -0.863 -9.437 3.304 1.00 0.27 O ATOM 123 CB ALA A 9 1.269 -11.273 1.682 1.00 0.26 C ATOM 0 H ALA A 9 2.098 -9.483 0.198 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.480 -10.306 0.945 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.727 -11.892 2.397 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.416 -11.831 0.758 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.238 -11.001 2.100 1.00 0.26 H new ATOM 129 N GLY A 10 1.098 -8.378 3.059 1.00 0.18 N ATOM 130 CA GLY A 10 0.984 -7.671 4.279 1.00 0.18 C ATOM 131 C GLY A 10 0.139 -6.461 4.179 1.00 0.15 C ATOM 132 O GLY A 10 -0.622 -6.160 5.087 1.00 0.16 O ATOM 0 H GLY A 10 1.928 -8.148 2.512 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.568 -8.334 5.037 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.979 -7.383 4.618 1.00 0.18 H new ATOM 136 N LEU A 11 0.253 -5.776 3.070 1.00 0.14 N ATOM 137 CA LEU A 11 -0.473 -4.563 2.824 1.00 0.13 C ATOM 138 C LEU A 11 -1.946 -4.896 2.802 1.00 0.14 C ATOM 139 O LEU A 11 -2.755 -4.164 3.347 1.00 0.16 O ATOM 140 CB LEU A 11 -0.027 -3.972 1.489 1.00 0.13 C ATOM 141 CG LEU A 11 0.158 -2.454 1.412 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.627 -2.063 0.027 1.00 0.18 C ATOM 143 CD2 LEU A 11 -1.115 -1.723 1.773 1.00 0.20 C ATOM 0 H LEU A 11 0.864 -6.053 2.302 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.281 -3.826 3.603 1.00 0.13 H new ATOM 0 HB2 LEU A 11 0.918 -4.440 1.213 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.758 -4.260 0.733 1.00 0.13 H new ATOM 0 HG LEU A 11 0.917 -2.164 2.139 1.00 0.15 H new ATOM 0 HD11 LEU A 11 0.757 -0.982 -0.021 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.577 -2.552 -0.187 1.00 0.18 H new ATOM 0 HD13 LEU A 11 -0.115 -2.373 -0.709 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.948 -0.648 1.708 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.908 -2.010 1.082 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.408 -1.984 2.790 1.00 0.20 H new ATOM 155 N ALA A 12 -2.272 -6.053 2.220 1.00 0.12 N ATOM 156 CA ALA A 12 -3.634 -6.552 2.199 1.00 0.13 C ATOM 157 C ALA A 12 -4.159 -6.675 3.607 1.00 0.11 C ATOM 158 O ALA A 12 -5.256 -6.220 3.894 1.00 0.13 O ATOM 159 CB ALA A 12 -3.706 -7.901 1.508 1.00 0.14 C ATOM 0 H ALA A 12 -1.598 -6.661 1.755 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.248 -5.844 1.642 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.737 -8.254 1.505 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.353 -7.803 0.481 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.079 -8.616 2.040 1.00 0.14 H new ATOM 165 N GLU A 13 -3.332 -7.226 4.489 1.00 0.12 N ATOM 166 CA GLU A 13 -3.697 -7.429 5.880 1.00 0.13 C ATOM 167 C GLU A 13 -3.932 -6.127 6.592 1.00 0.15 C ATOM 168 O GLU A 13 -4.817 -6.024 7.445 1.00 0.19 O ATOM 169 CB GLU A 13 -2.681 -8.288 6.602 1.00 0.18 C ATOM 170 CG GLU A 13 -2.597 -9.681 6.033 1.00 0.23 C ATOM 171 CD GLU A 13 -1.659 -10.569 6.789 1.00 0.36 C ATOM 172 OE1 GLU A 13 -2.071 -11.131 7.807 1.00 0.68 O ATOM 173 OE2 GLU A 13 -0.508 -10.753 6.369 1.00 0.52 O ATOM 0 H GLU A 13 -2.391 -7.543 4.257 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.643 -7.971 5.889 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.701 -7.814 6.542 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -2.943 -8.345 7.658 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.591 -10.128 6.034 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.275 -9.623 4.993 1.00 0.23 H new ATOM 180 N ILE A 14 -3.171 -5.139 6.231 1.00 0.14 N ATOM 181 CA ILE A 14 -3.349 -3.801 6.776 1.00 0.17 C ATOM 182 C ILE A 14 -4.687 -3.216 6.283 1.00 0.18 C ATOM 183 O ILE A 14 -5.468 -2.662 7.071 1.00 0.22 O ATOM 184 CB ILE A 14 -2.192 -2.889 6.342 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.876 -3.516 6.780 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.353 -1.512 6.970 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.322 -2.963 6.088 1.00 0.25 C ATOM 0 H ILE A 14 -2.411 -5.222 5.556 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.357 -3.861 7.864 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.198 -2.778 5.258 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.759 -3.375 7.854 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -0.921 -4.590 6.602 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.529 -0.871 6.658 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.297 -1.073 6.647 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.349 -1.605 8.056 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.218 -3.462 6.457 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.230 -3.128 5.014 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.395 -1.894 6.286 1.00 0.25 H new ATOM 199 N VAL A 15 -4.983 -3.406 4.991 1.00 0.15 N ATOM 200 CA VAL A 15 -6.205 -2.859 4.397 1.00 0.17 C ATOM 201 C VAL A 15 -7.432 -3.584 4.998 1.00 0.18 C ATOM 202 O VAL A 15 -8.557 -3.038 5.062 1.00 0.22 O ATOM 203 CB VAL A 15 -6.257 -3.006 2.834 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.434 -2.247 2.277 1.00 0.27 C ATOM 205 CG2 VAL A 15 -5.002 -2.515 2.164 1.00 0.23 C ATOM 0 H VAL A 15 -4.396 -3.931 4.342 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.214 -1.793 4.626 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.356 -4.071 2.626 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.458 -2.357 1.193 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.356 -2.642 2.703 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.340 -1.191 2.532 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -5.093 -2.640 1.085 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -4.855 -1.460 2.396 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.148 -3.089 2.525 1.00 0.23 H new ATOM 215 N ASN A 16 -7.184 -4.803 5.468 1.00 0.16 N ATOM 216 CA ASN A 16 -8.206 -5.648 6.106 1.00 0.20 C ATOM 217 C ASN A 16 -8.667 -4.993 7.380 1.00 0.25 C ATOM 218 O ASN A 16 -9.853 -4.930 7.670 1.00 0.34 O ATOM 219 CB ASN A 16 -7.673 -7.058 6.500 1.00 0.20 C ATOM 220 CG ASN A 16 -7.202 -7.965 5.390 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.325 -8.789 5.585 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.784 -7.874 4.268 1.00 0.27 N ATOM 0 H ASN A 16 -6.264 -5.241 5.420 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.007 -5.763 5.376 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -6.845 -6.921 7.195 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.464 -7.576 7.043 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.521 -8.498 3.505 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.515 -7.177 4.128 1.00 0.27 H new ATOM 229 N GLU A 17 -7.714 -4.486 8.123 1.00 0.26 N ATOM 230 CA GLU A 17 -7.966 -3.916 9.423 1.00 0.35 C ATOM 231 C GLU A 17 -8.496 -2.502 9.318 1.00 0.38 C ATOM 232 O GLU A 17 -9.505 -2.163 9.934 1.00 0.47 O ATOM 233 CB GLU A 17 -6.685 -3.937 10.245 1.00 0.41 C ATOM 234 CG GLU A 17 -6.092 -5.323 10.388 1.00 0.46 C ATOM 235 CD GLU A 17 -7.064 -6.296 10.987 1.00 1.22 C ATOM 236 OE1 GLU A 17 -7.300 -6.232 12.205 1.00 1.35 O ATOM 237 OE2 GLU A 17 -7.592 -7.149 10.257 1.00 2.07 O ATOM 0 H GLU A 17 -6.734 -4.457 7.840 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.729 -4.517 9.917 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.950 -3.281 9.778 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.890 -3.532 11.236 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -5.776 -5.684 9.409 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -5.200 -5.272 11.012 1.00 0.46 H new ATOM 244 N ILE A 18 -7.824 -1.690 8.531 1.00 0.32 N ATOM 245 CA ILE A 18 -8.182 -0.284 8.364 1.00 0.38 C ATOM 246 C ILE A 18 -9.595 -0.134 7.783 1.00 0.39 C ATOM 247 O ILE A 18 -10.439 0.549 8.356 1.00 0.43 O ATOM 248 CB ILE A 18 -7.171 0.394 7.409 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.748 0.389 8.014 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.613 1.817 7.062 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.531 1.341 9.170 1.00 0.58 C ATOM 0 H ILE A 18 -7.012 -1.979 7.985 1.00 0.32 H new ATOM 0 HA ILE A 18 -8.158 0.191 9.345 1.00 0.38 H new ATOM 0 HB ILE A 18 -7.145 -0.184 6.485 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.518 -0.622 8.350 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -5.036 0.633 7.226 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.885 2.270 6.390 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.587 1.787 6.574 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.682 2.409 7.974 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.502 1.259 9.520 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.722 2.362 8.841 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -6.212 1.088 9.983 1.00 0.58 H new ATOM 263 N ALA A 19 -9.850 -0.782 6.674 1.00 0.39 N ATOM 264 CA ALA A 19 -11.129 -0.637 6.027 1.00 0.44 C ATOM 265 C ALA A 19 -11.967 -1.873 6.237 1.00 0.41 C ATOM 266 O ALA A 19 -12.857 -1.902 7.097 1.00 0.54 O ATOM 267 CB ALA A 19 -10.950 -0.335 4.541 1.00 0.48 C ATOM 0 H ALA A 19 -9.196 -1.409 6.205 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.653 0.206 6.476 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.928 -0.229 4.071 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.388 0.592 4.423 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.406 -1.152 4.067 1.00 0.48 H new ATOM 273 N GLY A 20 -11.644 -2.896 5.505 1.00 0.34 N ATOM 274 CA GLY A 20 -12.365 -4.143 5.577 1.00 0.33 C ATOM 275 C GLY A 20 -12.286 -4.856 4.275 1.00 0.32 C ATOM 276 O GLY A 20 -13.286 -5.239 3.679 1.00 0.43 O ATOM 0 H GLY A 20 -10.872 -2.896 4.838 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.949 -4.767 6.368 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.407 -3.955 5.835 1.00 0.33 H new ATOM 280 N ILE A 21 -11.102 -4.971 3.807 1.00 0.27 N ATOM 281 CA ILE A 21 -10.819 -5.646 2.593 1.00 0.26 C ATOM 282 C ILE A 21 -10.596 -7.101 2.895 1.00 0.25 C ATOM 283 O ILE A 21 -10.366 -7.444 4.048 1.00 0.24 O ATOM 284 CB ILE A 21 -9.566 -4.981 1.935 1.00 0.25 C ATOM 285 CG1 ILE A 21 -9.959 -4.094 0.765 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.412 -5.927 1.593 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.875 -2.955 1.140 1.00 0.29 C ATOM 0 H ILE A 21 -10.277 -4.588 4.269 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.648 -5.572 1.889 1.00 0.26 H new ATOM 0 HB ILE A 21 -9.147 -4.351 2.719 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.055 -3.686 0.312 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.448 -4.706 0.007 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.598 -5.360 1.142 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.057 -6.411 2.503 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -8.759 -6.685 0.890 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.109 -2.369 0.251 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.796 -3.354 1.565 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.382 -2.318 1.875 1.00 0.29 H new ATOM 299 N PRO A 22 -10.719 -7.972 1.914 1.00 0.29 N ATOM 300 CA PRO A 22 -10.362 -9.332 2.067 1.00 0.35 C ATOM 301 C PRO A 22 -8.915 -9.517 1.624 1.00 0.45 C ATOM 302 O PRO A 22 -8.462 -8.889 0.642 1.00 1.08 O ATOM 303 CB PRO A 22 -11.342 -10.052 1.159 1.00 0.37 C ATOM 304 CG PRO A 22 -11.762 -9.045 0.125 1.00 0.44 C ATOM 305 CD PRO A 22 -11.247 -7.705 0.577 1.00 0.34 C ATOM 0 HA PRO A 22 -10.414 -9.707 3.089 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -10.877 -10.920 0.692 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.202 -10.415 1.722 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -11.355 -9.304 -0.852 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -12.847 -9.026 0.024 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.473 -7.327 -0.091 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.040 -6.958 0.601 1.00 0.34 H new ATOM 313 N VAL A 23 -8.183 -10.337 2.329 1.00 0.39 N ATOM 314 CA VAL A 23 -6.752 -10.509 2.103 1.00 0.32 C ATOM 315 C VAL A 23 -6.428 -11.317 0.801 1.00 0.42 C ATOM 316 O VAL A 23 -5.738 -12.341 0.804 1.00 0.81 O ATOM 317 CB VAL A 23 -6.026 -11.054 3.385 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.559 -12.414 3.820 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.505 -11.063 3.240 1.00 0.33 C ATOM 0 H VAL A 23 -8.554 -10.914 3.084 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.337 -9.518 1.917 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.260 -10.350 4.184 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.025 -12.747 4.710 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.623 -12.333 4.044 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.411 -13.136 3.017 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.055 -11.449 4.155 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.223 -11.699 2.401 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.151 -10.048 3.061 1.00 0.33 H new ATOM 329 N GLU A 24 -6.983 -10.831 -0.283 1.00 0.33 N ATOM 330 CA GLU A 24 -6.796 -11.371 -1.600 1.00 0.40 C ATOM 331 C GLU A 24 -7.238 -10.361 -2.683 1.00 0.34 C ATOM 332 O GLU A 24 -7.008 -10.581 -3.866 1.00 0.44 O ATOM 333 CB GLU A 24 -7.591 -12.644 -1.730 1.00 0.57 C ATOM 334 CG GLU A 24 -9.091 -12.460 -1.640 1.00 1.36 C ATOM 335 CD GLU A 24 -9.815 -13.749 -1.832 1.00 1.86 C ATOM 336 OE1 GLU A 24 -10.032 -14.466 -0.840 1.00 2.31 O ATOM 337 OE2 GLU A 24 -10.188 -14.070 -2.970 1.00 2.20 O ATOM 0 H GLU A 24 -7.599 -10.018 -0.267 1.00 0.33 H new ATOM 0 HA GLU A 24 -5.736 -11.578 -1.746 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -7.352 -13.111 -2.685 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -7.275 -13.336 -0.949 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -9.349 -12.039 -0.668 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -9.416 -11.744 -2.394 1.00 1.36 H new ATOM 344 N ASP A 25 -7.886 -9.265 -2.272 1.00 0.28 N ATOM 345 CA ASP A 25 -8.363 -8.247 -3.235 1.00 0.29 C ATOM 346 C ASP A 25 -7.239 -7.305 -3.563 1.00 0.25 C ATOM 347 O ASP A 25 -7.159 -6.751 -4.653 1.00 0.28 O ATOM 348 CB ASP A 25 -9.534 -7.460 -2.634 1.00 0.35 C ATOM 349 CG ASP A 25 -10.216 -6.505 -3.596 1.00 0.94 C ATOM 350 OD1 ASP A 25 -10.336 -6.839 -4.791 1.00 1.59 O ATOM 351 OD2 ASP A 25 -10.546 -5.377 -3.199 1.00 1.57 O ATOM 0 H ASP A 25 -8.093 -9.055 -1.296 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.701 -8.746 -4.143 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -10.274 -8.167 -2.259 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.171 -6.893 -1.777 1.00 0.35 H new ATOM 356 N VAL A 26 -6.355 -7.162 -2.610 1.00 0.23 N ATOM 357 CA VAL A 26 -5.219 -6.277 -2.717 1.00 0.22 C ATOM 358 C VAL A 26 -4.154 -6.928 -3.590 1.00 0.25 C ATOM 359 O VAL A 26 -3.380 -7.770 -3.136 1.00 0.30 O ATOM 360 CB VAL A 26 -4.646 -5.955 -1.316 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.516 -4.950 -1.392 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.732 -5.430 -0.417 1.00 0.27 C ATOM 0 H VAL A 26 -6.403 -7.664 -1.723 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.537 -5.340 -3.174 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.248 -6.882 -0.904 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.140 -4.749 -0.389 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.712 -5.353 -2.008 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.882 -4.024 -1.834 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.315 -5.208 0.565 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.153 -4.521 -0.847 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.516 -6.181 -0.317 1.00 0.27 H new ATOM 372 N LYS A 27 -4.222 -6.622 -4.851 1.00 0.28 N ATOM 373 CA LYS A 27 -3.311 -7.115 -5.828 1.00 0.35 C ATOM 374 C LYS A 27 -2.649 -5.942 -6.471 1.00 0.37 C ATOM 375 O LYS A 27 -3.057 -4.796 -6.253 1.00 0.72 O ATOM 376 CB LYS A 27 -4.056 -7.895 -6.916 1.00 0.40 C ATOM 377 CG LYS A 27 -4.725 -9.171 -6.461 1.00 0.83 C ATOM 378 CD LYS A 27 -5.350 -9.880 -7.645 1.00 1.13 C ATOM 379 CE LYS A 27 -5.954 -11.213 -7.239 1.00 1.15 C ATOM 380 NZ LYS A 27 -6.569 -11.934 -8.372 1.00 1.58 N ATOM 0 H LYS A 27 -4.936 -6.003 -5.235 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.589 -7.774 -5.347 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -4.814 -7.243 -7.351 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.351 -8.139 -7.711 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -3.995 -9.823 -5.981 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -5.489 -8.945 -5.717 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -6.122 -9.248 -8.083 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -4.595 -10.041 -8.415 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -5.179 -11.837 -6.795 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -6.707 -11.045 -6.469 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -6.964 -12.835 -8.036 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -7.329 -11.354 -8.781 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -5.847 -12.121 -9.097 1.00 1.58 H new ATOM 394 N LEU A 28 -1.683 -6.201 -7.286 1.00 0.24 N ATOM 395 CA LEU A 28 -1.024 -5.167 -8.024 1.00 0.22 C ATOM 396 C LEU A 28 -2.020 -4.581 -8.984 1.00 0.23 C ATOM 397 O LEU A 28 -2.944 -5.284 -9.434 1.00 0.31 O ATOM 398 CB LEU A 28 0.219 -5.689 -8.795 1.00 0.27 C ATOM 399 CG LEU A 28 1.517 -5.976 -7.996 1.00 0.43 C ATOM 400 CD1 LEU A 28 1.309 -6.992 -6.904 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.619 -6.429 -8.935 1.00 1.05 C ATOM 0 H LEU A 28 -1.324 -7.139 -7.463 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.660 -4.414 -7.326 1.00 0.22 H new ATOM 0 HB2 LEU A 28 -0.068 -6.610 -9.303 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.460 -4.960 -9.569 1.00 0.27 H new ATOM 0 HG LEU A 28 1.811 -5.044 -7.513 1.00 0.43 H new ATOM 0 HD11 LEU A 28 2.248 -7.156 -6.376 1.00 1.05 H new ATOM 0 HD12 LEU A 28 0.558 -6.625 -6.204 1.00 1.05 H new ATOM 0 HD13 LEU A 28 0.969 -7.931 -7.341 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.525 -6.628 -8.363 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.308 -7.338 -9.449 1.00 1.05 H new ATOM 0 HD23 LEU A 28 2.817 -5.647 -9.668 1.00 1.05 H new ATOM 413 N ASP A 29 -1.895 -3.287 -9.208 1.00 0.24 N ATOM 414 CA ASP A 29 -2.751 -2.535 -10.131 1.00 0.31 C ATOM 415 C ASP A 29 -4.127 -2.258 -9.498 1.00 0.28 C ATOM 416 O ASP A 29 -5.036 -1.738 -10.132 1.00 0.38 O ATOM 417 CB ASP A 29 -2.860 -3.251 -11.486 1.00 0.42 C ATOM 418 CG ASP A 29 -3.566 -2.460 -12.558 1.00 0.60 C ATOM 419 OD1 ASP A 29 -3.094 -1.361 -12.908 1.00 0.72 O ATOM 420 OD2 ASP A 29 -4.615 -2.908 -13.057 1.00 0.70 O ATOM 0 H ASP A 29 -1.188 -2.712 -8.751 1.00 0.24 H new ATOM 0 HA ASP A 29 -2.289 -1.566 -10.323 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.857 -3.496 -11.835 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.387 -4.194 -11.342 1.00 0.42 H new ATOM 425 N LYS A 30 -4.255 -2.563 -8.211 1.00 0.19 N ATOM 426 CA LYS A 30 -5.467 -2.220 -7.501 1.00 0.20 C ATOM 427 C LYS A 30 -5.282 -0.895 -6.877 1.00 0.20 C ATOM 428 O LYS A 30 -4.451 -0.726 -6.014 1.00 0.24 O ATOM 429 CB LYS A 30 -5.856 -3.168 -6.409 1.00 0.28 C ATOM 430 CG LYS A 30 -6.287 -4.564 -6.811 1.00 0.36 C ATOM 431 CD LYS A 30 -7.595 -4.543 -7.554 1.00 0.45 C ATOM 432 CE LYS A 30 -8.066 -5.946 -7.883 1.00 0.79 C ATOM 433 NZ LYS A 30 -9.399 -5.918 -8.499 1.00 1.48 N ATOM 0 H LYS A 30 -3.546 -3.038 -7.653 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.261 -2.251 -8.247 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.010 -3.261 -5.728 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.671 -2.714 -5.845 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.519 -5.017 -7.437 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.382 -5.187 -5.922 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.349 -4.036 -6.952 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.483 -3.970 -8.474 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -7.357 -6.423 -8.560 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -8.093 -6.548 -6.975 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -9.702 -6.889 -8.716 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -10.077 -5.483 -7.841 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -9.364 -5.362 -9.377 1.00 1.48 H new ATOM 447 N SER A 31 -6.088 -0.028 -7.255 1.00 0.20 N ATOM 448 CA SER A 31 -6.038 1.396 -6.908 1.00 0.34 C ATOM 449 C SER A 31 -6.574 1.705 -5.490 1.00 0.53 C ATOM 450 O SER A 31 -7.180 2.744 -5.277 1.00 1.25 O ATOM 451 CB SER A 31 -6.853 2.146 -7.945 1.00 0.36 C ATOM 452 OG SER A 31 -6.417 1.813 -9.252 1.00 0.86 O ATOM 0 H SER A 31 -6.877 -0.254 -7.860 1.00 0.20 H new ATOM 0 HA SER A 31 -4.994 1.711 -6.904 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.909 1.901 -7.834 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.757 3.220 -7.785 1.00 0.36 H new ATOM 0 HG SER A 31 -6.871 0.997 -9.550 1.00 0.86 H new ATOM 458 N PHE A 32 -6.304 0.805 -4.544 1.00 0.29 N ATOM 459 CA PHE A 32 -6.696 0.913 -3.131 1.00 0.28 C ATOM 460 C PHE A 32 -8.094 1.475 -2.901 1.00 0.26 C ATOM 461 O PHE A 32 -9.082 0.782 -3.049 1.00 0.40 O ATOM 462 CB PHE A 32 -5.676 1.687 -2.295 1.00 0.40 C ATOM 463 CG PHE A 32 -4.338 1.036 -2.142 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.125 0.082 -1.164 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.286 1.386 -2.961 1.00 0.35 C ATOM 466 CE1 PHE A 32 -2.899 -0.506 -1.015 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.053 0.799 -2.810 1.00 0.34 C ATOM 468 CZ PHE A 32 -1.860 -0.148 -1.837 1.00 0.36 C ATOM 0 H PHE A 32 -5.788 -0.052 -4.744 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.717 -0.122 -2.791 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.533 2.669 -2.747 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.096 1.851 -1.303 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -4.936 -0.202 -0.510 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.433 2.130 -3.730 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -2.748 -1.253 -0.250 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.236 1.083 -3.457 1.00 0.34 H new ATOM 0 HZ PHE A 32 -0.892 -0.611 -1.718 1.00 0.36 H new ATOM 478 N THR A 33 -8.168 2.749 -2.659 1.00 0.28 N ATOM 479 CA THR A 33 -9.417 3.407 -2.325 1.00 0.36 C ATOM 480 C THR A 33 -10.208 3.798 -3.601 1.00 0.45 C ATOM 481 O THR A 33 -10.909 4.816 -3.664 1.00 1.06 O ATOM 482 CB THR A 33 -9.176 4.613 -1.366 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.404 5.147 -0.882 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.352 5.708 -2.023 1.00 0.78 C ATOM 0 H THR A 33 -7.363 3.375 -2.685 1.00 0.28 H new ATOM 0 HA THR A 33 -10.043 2.699 -1.783 1.00 0.36 H new ATOM 0 HB THR A 33 -8.608 4.227 -0.520 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.635 5.951 -1.393 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.209 6.528 -1.319 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.381 5.307 -2.315 1.00 0.78 H new ATOM 0 HG23 THR A 33 -8.874 6.076 -2.907 1.00 0.78 H new ATOM 492 N ASP A 34 -10.133 2.925 -4.565 1.00 0.32 N ATOM 493 CA ASP A 34 -10.869 3.028 -5.799 1.00 0.34 C ATOM 494 C ASP A 34 -11.233 1.630 -6.236 1.00 0.35 C ATOM 495 O ASP A 34 -12.375 1.335 -6.527 1.00 0.50 O ATOM 496 CB ASP A 34 -10.051 3.716 -6.892 1.00 0.38 C ATOM 497 CG ASP A 34 -10.824 3.850 -8.191 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.732 4.704 -8.275 1.00 1.04 O ATOM 499 OD2 ASP A 34 -10.555 3.088 -9.144 1.00 1.74 O ATOM 0 H ASP A 34 -9.541 2.096 -4.515 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.760 3.634 -5.635 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.748 4.705 -6.548 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -9.138 3.148 -7.072 1.00 0.38 H new ATOM 504 N ASP A 35 -10.243 0.751 -6.224 1.00 0.30 N ATOM 505 CA ASP A 35 -10.459 -0.650 -6.609 1.00 0.32 C ATOM 506 C ASP A 35 -10.907 -1.519 -5.449 1.00 0.35 C ATOM 507 O ASP A 35 -11.744 -2.392 -5.615 1.00 0.52 O ATOM 508 CB ASP A 35 -9.195 -1.278 -7.223 1.00 0.31 C ATOM 509 CG ASP A 35 -9.052 -1.088 -8.712 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.814 -1.705 -9.480 1.00 1.29 O ATOM 511 OD2 ASP A 35 -8.157 -0.335 -9.135 1.00 1.10 O ATOM 0 H ASP A 35 -9.285 0.973 -5.955 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.256 -0.618 -7.352 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.320 -0.853 -6.731 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.195 -2.346 -7.006 1.00 0.31 H new ATOM 516 N LEU A 36 -10.359 -1.274 -4.280 1.00 0.30 N ATOM 517 CA LEU A 36 -10.581 -2.151 -3.131 1.00 0.33 C ATOM 518 C LEU A 36 -11.846 -1.821 -2.364 1.00 0.39 C ATOM 519 O LEU A 36 -12.628 -2.727 -2.081 1.00 0.81 O ATOM 520 CB LEU A 36 -9.414 -2.079 -2.150 1.00 0.33 C ATOM 521 CG LEU A 36 -8.024 -2.337 -2.681 1.00 0.33 C ATOM 522 CD1 LEU A 36 -7.034 -2.273 -1.546 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.943 -3.658 -3.396 1.00 0.36 C ATOM 0 H LEU A 36 -9.754 -0.475 -4.090 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.676 -3.152 -3.551 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.420 -1.088 -1.697 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.605 -2.796 -1.351 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.780 -1.565 -3.411 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -6.030 -2.459 -1.928 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -7.070 -1.285 -1.087 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.285 -3.029 -0.801 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.929 -3.811 -3.765 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.203 -4.461 -2.707 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.638 -3.661 -4.235 1.00 0.36 H new ATOM 535 N ASP A 37 -12.021 -0.519 -2.044 1.00 0.35 N ATOM 536 CA ASP A 37 -13.079 0.034 -1.171 1.00 0.45 C ATOM 537 C ASP A 37 -12.508 0.347 0.178 1.00 0.39 C ATOM 538 O ASP A 37 -12.697 -0.371 1.167 1.00 0.87 O ATOM 539 CB ASP A 37 -14.394 -0.773 -1.080 1.00 0.79 C ATOM 540 CG ASP A 37 -15.416 -0.147 -0.147 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.866 0.995 -0.415 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.788 -0.791 0.885 1.00 0.99 O ATOM 0 H ASP A 37 -11.401 0.206 -2.404 1.00 0.35 H new ATOM 0 HA ASP A 37 -13.407 0.950 -1.663 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.828 -0.863 -2.076 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -14.170 -1.783 -0.738 1.00 0.79 H new ATOM 547 N VAL A 38 -11.684 1.348 0.178 1.00 0.38 N ATOM 548 CA VAL A 38 -11.044 1.805 1.392 1.00 0.37 C ATOM 549 C VAL A 38 -11.703 3.122 1.866 1.00 0.48 C ATOM 550 O VAL A 38 -12.594 3.648 1.204 1.00 0.79 O ATOM 551 CB VAL A 38 -9.470 1.926 1.218 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.732 2.123 2.550 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.937 0.688 0.521 1.00 0.43 C ATOM 0 H VAL A 38 -11.430 1.877 -0.657 1.00 0.38 H new ATOM 0 HA VAL A 38 -11.193 1.061 2.174 1.00 0.37 H new ATOM 0 HB VAL A 38 -9.285 2.815 0.615 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.661 2.199 2.365 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -9.083 3.037 3.029 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.928 1.273 3.204 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.857 0.774 0.403 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.168 -0.194 1.119 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.403 0.594 -0.460 1.00 0.43 H new ATOM 563 N ASP A 39 -11.280 3.608 3.004 1.00 0.39 N ATOM 564 CA ASP A 39 -11.801 4.842 3.608 1.00 0.55 C ATOM 565 C ASP A 39 -11.219 6.122 2.976 1.00 0.67 C ATOM 566 O ASP A 39 -11.785 7.211 3.131 1.00 1.53 O ATOM 567 CB ASP A 39 -11.541 4.814 5.117 1.00 0.64 C ATOM 568 CG ASP A 39 -11.872 6.114 5.806 1.00 1.28 C ATOM 569 OD1 ASP A 39 -13.065 6.340 6.084 1.00 1.51 O ATOM 570 OD2 ASP A 39 -10.959 6.914 6.092 1.00 2.00 O ATOM 0 H ASP A 39 -10.551 3.161 3.560 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.873 4.875 3.413 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -12.130 4.014 5.565 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -10.492 4.575 5.293 1.00 0.64 H new ATOM 575 N SER A 40 -10.090 5.982 2.272 1.00 0.45 N ATOM 576 CA SER A 40 -9.390 7.082 1.579 1.00 0.37 C ATOM 577 C SER A 40 -8.634 8.021 2.541 1.00 0.34 C ATOM 578 O SER A 40 -7.507 8.406 2.258 1.00 0.46 O ATOM 579 CB SER A 40 -10.332 7.850 0.698 1.00 0.51 C ATOM 580 OG SER A 40 -9.616 8.540 -0.344 1.00 0.78 O ATOM 0 H SER A 40 -9.623 5.082 2.163 1.00 0.45 H new ATOM 0 HA SER A 40 -8.631 6.616 0.951 1.00 0.37 H new ATOM 0 HB2 SER A 40 -11.059 7.169 0.255 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.892 8.568 1.297 1.00 0.51 H new ATOM 585 N LEU A 41 -9.221 8.364 3.670 1.00 0.32 N ATOM 586 CA LEU A 41 -8.508 9.192 4.637 1.00 0.36 C ATOM 587 C LEU A 41 -7.611 8.275 5.419 1.00 0.33 C ATOM 588 O LEU A 41 -6.403 8.472 5.524 1.00 0.41 O ATOM 589 CB LEU A 41 -9.470 9.883 5.593 1.00 0.51 C ATOM 590 CG LEU A 41 -10.572 10.690 4.955 1.00 0.65 C ATOM 591 CD1 LEU A 41 -11.448 11.322 6.017 1.00 1.15 C ATOM 592 CD2 LEU A 41 -10.015 11.746 4.024 1.00 1.18 C ATOM 0 H LEU A 41 -10.166 8.093 3.942 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.947 9.968 4.116 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -9.925 9.125 6.230 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -8.894 10.542 6.243 1.00 0.51 H new ATOM 0 HG LEU A 41 -11.182 10.011 4.358 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -12.238 11.901 5.539 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -11.892 10.541 6.634 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.844 11.979 6.643 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -10.836 12.310 3.581 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -9.371 12.423 4.585 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -9.436 11.266 3.235 1.00 1.18 H new ATOM 604 N SER A 42 -8.217 7.206 5.891 1.00 0.31 N ATOM 605 CA SER A 42 -7.535 6.156 6.615 1.00 0.33 C ATOM 606 C SER A 42 -6.559 5.397 5.698 1.00 0.27 C ATOM 607 O SER A 42 -5.745 4.607 6.144 1.00 0.26 O ATOM 608 CB SER A 42 -8.542 5.213 7.240 1.00 0.45 C ATOM 609 OG SER A 42 -9.476 5.941 8.034 1.00 0.60 O ATOM 0 H SER A 42 -9.217 7.040 5.780 1.00 0.31 H new ATOM 0 HA SER A 42 -6.948 6.611 7.413 1.00 0.33 H new ATOM 0 HB2 SER A 42 -9.068 4.663 6.460 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.027 4.476 7.856 1.00 0.45 H new ATOM 0 HG SER A 42 -10.077 6.449 7.449 1.00 0.60 H new ATOM 615 N MET A 43 -6.688 5.648 4.412 1.00 0.27 N ATOM 616 CA MET A 43 -5.881 5.061 3.366 1.00 0.31 C ATOM 617 C MET A 43 -4.427 5.424 3.591 1.00 0.25 C ATOM 618 O MET A 43 -3.539 4.633 3.321 1.00 0.28 O ATOM 619 CB MET A 43 -6.350 5.636 2.041 1.00 0.46 C ATOM 620 CG MET A 43 -5.733 5.105 0.766 1.00 0.73 C ATOM 621 SD MET A 43 -6.252 3.437 0.353 1.00 0.86 S ATOM 622 CE MET A 43 -5.198 2.462 1.401 1.00 0.40 C ATOM 0 H MET A 43 -7.390 6.295 4.053 1.00 0.27 H new ATOM 0 HA MET A 43 -5.979 3.975 3.367 1.00 0.31 H new ATOM 0 HB2 MET A 43 -7.427 5.484 1.976 1.00 0.46 H new ATOM 0 HB3 MET A 43 -6.181 6.712 2.068 1.00 0.46 H new ATOM 0 HG2 MET A 43 -5.992 5.771 -0.057 1.00 0.73 H new ATOM 0 HG3 MET A 43 -4.647 5.125 0.863 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.693 1.521 1.641 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.260 2.257 0.884 1.00 0.40 H new ATOM 0 HE3 MET A 43 -4.993 3.009 2.321 1.00 0.40 H new ATOM 632 N VAL A 44 -4.211 6.615 4.130 1.00 0.22 N ATOM 633 CA VAL A 44 -2.880 7.102 4.427 1.00 0.22 C ATOM 634 C VAL A 44 -2.235 6.213 5.521 1.00 0.21 C ATOM 635 O VAL A 44 -1.053 5.861 5.436 1.00 0.26 O ATOM 636 CB VAL A 44 -2.926 8.585 4.886 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.529 9.112 5.198 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.584 9.441 3.811 1.00 0.30 C ATOM 0 H VAL A 44 -4.956 7.268 4.372 1.00 0.22 H new ATOM 0 HA VAL A 44 -2.275 7.051 3.522 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.516 8.640 5.801 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.595 10.152 5.516 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.085 8.516 5.995 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.907 9.045 4.305 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.613 10.480 4.140 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -3.011 9.369 2.887 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.600 9.088 3.636 1.00 0.30 H new ATOM 648 N GLU A 45 -3.041 5.817 6.520 1.00 0.19 N ATOM 649 CA GLU A 45 -2.584 4.917 7.597 1.00 0.18 C ATOM 650 C GLU A 45 -2.062 3.626 7.021 1.00 0.20 C ATOM 651 O GLU A 45 -1.025 3.148 7.414 1.00 0.25 O ATOM 652 CB GLU A 45 -3.709 4.560 8.564 1.00 0.17 C ATOM 653 CG GLU A 45 -4.257 5.699 9.363 1.00 0.29 C ATOM 654 CD GLU A 45 -3.181 6.394 10.162 1.00 0.46 C ATOM 655 OE1 GLU A 45 -2.754 5.863 11.210 1.00 0.68 O ATOM 656 OE2 GLU A 45 -2.723 7.476 9.738 1.00 0.58 O ATOM 0 H GLU A 45 -4.015 6.106 6.606 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.801 5.455 8.132 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.524 4.112 7.996 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.344 3.798 9.253 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -4.733 6.416 8.694 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.030 5.331 10.038 1.00 0.29 H new ATOM 663 N VAL A 46 -2.785 3.099 6.048 1.00 0.19 N ATOM 664 CA VAL A 46 -2.459 1.839 5.396 1.00 0.22 C ATOM 665 C VAL A 46 -1.079 1.917 4.709 1.00 0.20 C ATOM 666 O VAL A 46 -0.400 0.925 4.552 1.00 0.23 O ATOM 667 CB VAL A 46 -3.529 1.469 4.334 1.00 0.31 C ATOM 668 CG1 VAL A 46 -3.404 0.034 3.884 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.927 1.737 4.839 1.00 0.63 C ATOM 0 H VAL A 46 -3.629 3.540 5.682 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.437 1.070 6.169 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.345 2.110 3.472 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -4.172 -0.183 3.141 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -2.419 -0.125 3.445 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.531 -0.628 4.740 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.650 1.466 4.069 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -5.111 1.143 5.734 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -5.031 2.795 5.078 1.00 0.63 H new ATOM 679 N VAL A 47 -0.667 3.125 4.374 1.00 0.17 N ATOM 680 CA VAL A 47 0.600 3.359 3.666 1.00 0.18 C ATOM 681 C VAL A 47 1.699 3.312 4.672 1.00 0.19 C ATOM 682 O VAL A 47 2.673 2.584 4.528 1.00 0.21 O ATOM 683 CB VAL A 47 0.651 4.759 3.027 1.00 0.22 C ATOM 684 CG1 VAL A 47 1.885 4.909 2.149 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.596 5.062 2.256 1.00 0.54 C ATOM 0 H VAL A 47 -1.191 3.976 4.579 1.00 0.17 H new ATOM 0 HA VAL A 47 0.696 2.603 2.886 1.00 0.18 H new ATOM 0 HB VAL A 47 0.717 5.486 3.836 1.00 0.22 H new ATOM 0 HG11 VAL A 47 1.899 5.906 1.709 1.00 0.55 H new ATOM 0 HG12 VAL A 47 2.781 4.766 2.753 1.00 0.55 H new ATOM 0 HG13 VAL A 47 1.860 4.162 1.355 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.521 6.058 1.820 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.720 4.327 1.461 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.456 5.022 2.925 1.00 0.54 H new ATOM 695 N VAL A 48 1.524 4.117 5.684 1.00 0.19 N ATOM 696 CA VAL A 48 2.449 4.225 6.777 1.00 0.23 C ATOM 697 C VAL A 48 2.582 2.873 7.488 1.00 0.23 C ATOM 698 O VAL A 48 3.655 2.497 7.929 1.00 0.35 O ATOM 699 CB VAL A 48 1.970 5.328 7.755 1.00 0.31 C ATOM 700 CG1 VAL A 48 2.889 5.458 8.948 1.00 0.42 C ATOM 701 CG2 VAL A 48 1.862 6.660 7.020 1.00 0.33 C ATOM 0 H VAL A 48 0.714 4.731 5.773 1.00 0.19 H new ATOM 0 HA VAL A 48 3.432 4.503 6.398 1.00 0.23 H new ATOM 0 HB VAL A 48 0.988 5.040 8.131 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.518 6.241 9.609 1.00 0.42 H new ATOM 0 HG12 VAL A 48 2.920 4.512 9.488 1.00 0.42 H new ATOM 0 HG13 VAL A 48 3.892 5.715 8.608 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.525 7.431 7.712 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.838 6.934 6.618 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.146 6.568 6.203 1.00 0.33 H new ATOM 711 N ALA A 49 1.499 2.116 7.516 1.00 0.18 N ATOM 712 CA ALA A 49 1.514 0.846 8.148 1.00 0.18 C ATOM 713 C ALA A 49 2.193 -0.161 7.252 1.00 0.17 C ATOM 714 O ALA A 49 2.840 -1.096 7.720 1.00 0.21 O ATOM 715 CB ALA A 49 0.122 0.400 8.531 1.00 0.20 C ATOM 0 H ALA A 49 0.604 2.377 7.102 1.00 0.18 H new ATOM 0 HA ALA A 49 2.082 0.925 9.075 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.172 -0.577 9.012 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.315 1.122 9.221 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.497 0.332 7.637 1.00 0.20 H new ATOM 721 N ALA A 50 2.054 0.052 5.946 1.00 0.16 N ATOM 722 CA ALA A 50 2.688 -0.776 4.956 1.00 0.18 C ATOM 723 C ALA A 50 4.184 -0.669 5.107 1.00 0.18 C ATOM 724 O ALA A 50 4.861 -1.659 5.370 1.00 0.21 O ATOM 725 CB ALA A 50 2.250 -0.371 3.532 1.00 0.18 C ATOM 0 H ALA A 50 1.494 0.810 5.556 1.00 0.16 H new ATOM 0 HA ALA A 50 2.383 -1.811 5.108 1.00 0.18 H new ATOM 0 HB1 ALA A 50 2.744 -1.013 2.803 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.170 -0.481 3.439 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.527 0.667 3.348 1.00 0.18 H new ATOM 731 N GLU A 51 4.692 0.531 5.024 1.00 0.18 N ATOM 732 CA GLU A 51 6.112 0.740 5.074 1.00 0.23 C ATOM 733 C GLU A 51 6.763 0.294 6.379 1.00 0.23 C ATOM 734 O GLU A 51 7.825 -0.346 6.347 1.00 0.30 O ATOM 735 CB GLU A 51 6.504 2.129 4.581 1.00 0.29 C ATOM 736 CG GLU A 51 5.785 3.308 5.185 1.00 0.31 C ATOM 737 CD GLU A 51 6.511 3.972 6.311 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.518 3.405 7.409 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.090 5.045 6.130 1.00 0.64 O ATOM 0 H GLU A 51 4.140 1.382 4.921 1.00 0.18 H new ATOM 0 HA GLU A 51 6.554 0.054 4.352 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.572 2.260 4.756 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.352 2.159 3.502 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.603 4.045 4.403 1.00 0.31 H new ATOM 0 HG3 GLU A 51 4.810 2.977 5.544 1.00 0.31 H new ATOM 746 N GLU A 52 6.085 0.525 7.486 1.00 0.22 N ATOM 747 CA GLU A 52 6.543 0.079 8.804 1.00 0.26 C ATOM 748 C GLU A 52 6.644 -1.436 8.893 1.00 0.24 C ATOM 749 O GLU A 52 7.537 -1.978 9.551 1.00 0.35 O ATOM 750 CB GLU A 52 5.602 0.565 9.896 1.00 0.33 C ATOM 751 CG GLU A 52 5.793 1.997 10.306 1.00 0.46 C ATOM 752 CD GLU A 52 4.820 2.409 11.371 1.00 1.20 C ATOM 753 OE1 GLU A 52 4.605 1.626 12.336 1.00 1.50 O ATOM 754 OE2 GLU A 52 4.267 3.530 11.298 1.00 2.07 O ATOM 0 H GLU A 52 5.198 1.028 7.506 1.00 0.22 H new ATOM 0 HA GLU A 52 7.536 0.506 8.946 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.575 0.434 9.555 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.730 -0.069 10.774 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.811 2.138 10.670 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.674 2.643 9.436 1.00 0.46 H new ATOM 761 N ARG A 53 5.755 -2.109 8.221 1.00 0.18 N ATOM 762 CA ARG A 53 5.682 -3.540 8.301 1.00 0.21 C ATOM 763 C ARG A 53 6.690 -4.169 7.360 1.00 0.24 C ATOM 764 O ARG A 53 7.290 -5.205 7.669 1.00 0.37 O ATOM 765 CB ARG A 53 4.289 -4.017 7.905 1.00 0.25 C ATOM 766 CG ARG A 53 3.985 -5.453 8.292 1.00 0.41 C ATOM 767 CD ARG A 53 2.729 -5.946 7.612 1.00 0.49 C ATOM 768 NE ARG A 53 2.164 -7.132 8.265 1.00 1.36 N ATOM 769 CZ ARG A 53 1.949 -8.316 7.671 1.00 1.55 C ATOM 770 NH1 ARG A 53 2.713 -8.714 6.643 1.00 1.19 N ATOM 771 NH2 ARG A 53 1.077 -9.162 8.196 1.00 2.48 N ATOM 0 H ARG A 53 5.063 -1.684 7.604 1.00 0.18 H new ATOM 0 HA ARG A 53 5.899 -3.835 9.328 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.549 -3.364 8.368 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.175 -3.912 6.826 1.00 0.25 H new ATOM 0 HG2 ARG A 53 4.825 -6.092 8.019 1.00 0.41 H new ATOM 0 HG3 ARG A 53 3.869 -5.525 9.373 1.00 0.41 H new ATOM 0 HD2 ARG A 53 1.985 -5.149 7.608 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.951 -6.180 6.571 1.00 0.49 H new ATOM 0 HE ARG A 53 1.914 -7.050 9.251 1.00 1.36 H new ATOM 0 HH11 ARG A 53 3.466 -8.115 6.305 1.00 1.19 H new ATOM 0 HH12 ARG A 53 2.541 -9.616 6.199 1.00 1.19 H new ATOM 0 HH21 ARG A 53 0.573 -8.912 9.047 1.00 2.48 H new ATOM 0 HH22 ARG A 53 0.909 -10.064 7.750 1.00 2.48 H new ATOM 785 N PHE A 54 6.888 -3.547 6.215 1.00 0.20 N ATOM 786 CA PHE A 54 7.701 -4.174 5.207 1.00 0.26 C ATOM 787 C PHE A 54 9.163 -3.871 5.379 1.00 0.37 C ATOM 788 O PHE A 54 9.966 -4.807 5.338 1.00 0.81 O ATOM 789 CB PHE A 54 7.241 -3.789 3.802 1.00 0.18 C ATOM 790 CG PHE A 54 5.772 -3.925 3.599 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.082 -4.904 4.253 1.00 0.27 C ATOM 792 CD2 PHE A 54 5.087 -3.102 2.721 1.00 0.19 C ATOM 793 CE1 PHE A 54 3.747 -5.068 4.048 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.755 -3.273 2.503 1.00 0.29 C ATOM 795 CZ PHE A 54 3.052 -4.098 3.283 1.00 0.33 C ATOM 0 H PHE A 54 6.507 -2.634 5.968 1.00 0.20 H new ATOM 0 HA PHE A 54 7.572 -5.249 5.333 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.533 -2.758 3.603 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.760 -4.414 3.075 1.00 0.18 H new ATOM 0 HD1 PHE A 54 5.601 -5.555 4.940 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.616 -2.315 2.203 1.00 0.19 H new ATOM 0 HE1 PHE A 54 3.227 -5.920 4.460 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.266 -2.742 1.700 1.00 0.29 H new ATOM 0 HZ PHE A 54 1.975 -4.028 3.330 1.00 0.33 H new ATOM 805 N ASP A 55 9.492 -2.567 5.641 1.00 0.23 N ATOM 806 CA ASP A 55 10.902 -2.069 5.842 1.00 0.30 C ATOM 807 C ASP A 55 11.056 -0.603 5.450 1.00 0.21 C ATOM 808 O ASP A 55 11.792 0.151 6.086 1.00 0.44 O ATOM 809 CB ASP A 55 11.954 -2.843 5.002 1.00 0.60 C ATOM 810 CG ASP A 55 13.363 -2.317 5.159 1.00 1.22 C ATOM 811 OD1 ASP A 55 14.012 -2.630 6.166 1.00 1.56 O ATOM 812 OD2 ASP A 55 13.851 -1.601 4.264 1.00 1.99 O ATOM 0 H ASP A 55 8.792 -1.829 5.720 1.00 0.23 H new ATOM 0 HA ASP A 55 11.080 -2.221 6.907 1.00 0.30 H new ATOM 0 HB2 ASP A 55 11.934 -3.894 5.290 1.00 0.60 H new ATOM 0 HB3 ASP A 55 11.673 -2.795 3.950 1.00 0.60 H new ATOM 817 N VAL A 56 10.337 -0.207 4.426 1.00 0.17 N ATOM 818 CA VAL A 56 10.586 1.046 3.739 1.00 0.21 C ATOM 819 C VAL A 56 10.078 2.281 4.538 1.00 0.20 C ATOM 820 O VAL A 56 9.444 2.139 5.576 1.00 0.21 O ATOM 821 CB VAL A 56 9.969 0.967 2.289 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.488 0.834 2.337 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.348 2.114 1.407 1.00 0.37 C ATOM 0 H VAL A 56 9.559 -0.744 4.042 1.00 0.17 H new ATOM 0 HA VAL A 56 11.663 1.192 3.657 1.00 0.21 H new ATOM 0 HB VAL A 56 10.401 0.071 1.844 1.00 0.27 H new ATOM 0 HG11 VAL A 56 8.094 0.782 1.322 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.222 -0.075 2.876 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.062 1.697 2.848 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.886 1.988 0.428 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.003 3.046 1.854 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.432 2.144 1.295 1.00 0.37 H new ATOM 833 N LYS A 57 10.400 3.456 4.063 1.00 0.25 N ATOM 834 CA LYS A 57 9.904 4.687 4.596 1.00 0.25 C ATOM 835 C LYS A 57 9.275 5.423 3.447 1.00 0.22 C ATOM 836 O LYS A 57 9.947 5.698 2.445 1.00 0.28 O ATOM 837 CB LYS A 57 11.051 5.510 5.190 1.00 0.33 C ATOM 838 CG LYS A 57 10.639 6.843 5.836 1.00 0.44 C ATOM 839 CD LYS A 57 9.559 6.674 6.910 1.00 0.89 C ATOM 840 CE LYS A 57 9.977 5.736 8.040 1.00 1.46 C ATOM 841 NZ LYS A 57 11.152 6.229 8.789 1.00 2.12 N ATOM 0 H LYS A 57 11.033 3.581 3.273 1.00 0.25 H new ATOM 0 HA LYS A 57 9.183 4.510 5.394 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.560 4.904 5.940 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.775 5.716 4.401 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.517 7.313 6.280 1.00 0.44 H new ATOM 0 HG3 LYS A 57 10.273 7.519 5.063 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.316 7.651 7.328 1.00 0.89 H new ATOM 0 HD3 LYS A 57 8.650 6.291 6.446 1.00 0.89 H new ATOM 0 HE2 LYS A 57 9.141 5.608 8.728 1.00 1.46 H new ATOM 0 HE3 LYS A 57 10.202 4.753 7.626 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 11.371 5.571 9.564 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 11.969 6.294 8.149 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 10.944 7.169 9.181 1.00 2.12 H new ATOM 855 N ILE A 58 8.015 5.699 3.552 1.00 0.20 N ATOM 856 CA ILE A 58 7.313 6.340 2.476 1.00 0.19 C ATOM 857 C ILE A 58 6.909 7.757 2.879 1.00 0.21 C ATOM 858 O ILE A 58 6.110 7.944 3.799 1.00 0.25 O ATOM 859 CB ILE A 58 6.063 5.524 2.019 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.468 4.089 1.644 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.409 6.195 0.819 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.308 3.198 1.234 1.00 0.24 C ATOM 0 H ILE A 58 7.445 5.492 4.372 1.00 0.20 H new ATOM 0 HA ILE A 58 7.993 6.389 1.626 1.00 0.19 H new ATOM 0 HB ILE A 58 5.353 5.490 2.846 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.187 4.129 0.826 1.00 0.22 H new ATOM 0 HG13 ILE A 58 6.977 3.634 2.494 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.538 5.617 0.509 1.00 0.20 H new ATOM 0 HG22 ILE A 58 5.097 7.203 1.091 1.00 0.20 H new ATOM 0 HG23 ILE A 58 6.123 6.245 -0.003 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.682 2.205 0.986 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.598 3.123 2.058 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.810 3.626 0.364 1.00 0.24 H new ATOM 874 N PRO A 59 7.494 8.771 2.231 1.00 0.23 N ATOM 875 CA PRO A 59 7.160 10.177 2.487 1.00 0.28 C ATOM 876 C PRO A 59 5.793 10.520 1.905 1.00 0.24 C ATOM 877 O PRO A 59 5.346 9.865 0.962 1.00 0.21 O ATOM 878 CB PRO A 59 8.236 10.922 1.708 1.00 0.33 C ATOM 879 CG PRO A 59 8.535 10.012 0.584 1.00 0.30 C ATOM 880 CD PRO A 59 8.529 8.644 1.187 1.00 0.25 C ATOM 0 HA PRO A 59 7.123 10.420 3.549 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.880 11.891 1.357 1.00 0.33 H new ATOM 0 HB3 PRO A 59 9.119 11.109 2.320 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.788 10.100 -0.205 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.501 10.242 0.135 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.277 7.877 0.455 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.500 8.379 1.606 1.00 0.25 H new ATOM 888 N ASP A 60 5.168 11.571 2.434 1.00 0.30 N ATOM 889 CA ASP A 60 3.813 12.043 2.025 1.00 0.34 C ATOM 890 C ASP A 60 3.689 12.148 0.512 1.00 0.31 C ATOM 891 O ASP A 60 2.671 11.767 -0.072 1.00 0.36 O ATOM 892 CB ASP A 60 3.525 13.426 2.624 1.00 0.51 C ATOM 893 CG ASP A 60 3.606 13.467 4.125 1.00 1.25 C ATOM 894 OD1 ASP A 60 4.732 13.546 4.666 1.00 1.98 O ATOM 895 OD2 ASP A 60 2.549 13.449 4.800 1.00 1.92 O ATOM 0 H ASP A 60 5.582 12.139 3.173 1.00 0.30 H new ATOM 0 HA ASP A 60 3.096 11.310 2.395 1.00 0.34 H new ATOM 0 HB2 ASP A 60 4.233 14.145 2.212 1.00 0.51 H new ATOM 0 HB3 ASP A 60 2.530 13.745 2.314 1.00 0.51 H new ATOM 900 N ASP A 61 4.738 12.649 -0.112 1.00 0.30 N ATOM 901 CA ASP A 61 4.783 12.796 -1.562 1.00 0.37 C ATOM 902 C ASP A 61 4.672 11.460 -2.250 1.00 0.33 C ATOM 903 O ASP A 61 3.815 11.273 -3.090 1.00 0.46 O ATOM 904 CB ASP A 61 6.048 13.530 -2.024 1.00 0.50 C ATOM 905 CG ASP A 61 6.017 15.009 -1.723 1.00 1.16 C ATOM 906 OD1 ASP A 61 6.194 15.386 -0.552 1.00 2.06 O ATOM 907 OD2 ASP A 61 5.800 15.820 -2.648 1.00 1.16 O ATOM 0 H ASP A 61 5.582 12.966 0.366 1.00 0.30 H new ATOM 0 HA ASP A 61 3.923 13.403 -1.844 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.917 13.085 -1.539 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.173 13.386 -3.097 1.00 0.50 H new ATOM 912 N ASP A 62 5.492 10.511 -1.845 1.00 0.25 N ATOM 913 CA ASP A 62 5.480 9.187 -2.467 1.00 0.25 C ATOM 914 C ASP A 62 4.244 8.401 -2.099 1.00 0.23 C ATOM 915 O ASP A 62 3.772 7.593 -2.892 1.00 0.28 O ATOM 916 CB ASP A 62 6.745 8.377 -2.191 1.00 0.26 C ATOM 917 CG ASP A 62 7.938 8.824 -3.013 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.858 8.826 -4.267 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.943 9.249 -2.429 1.00 0.44 O ATOM 0 H ASP A 62 6.173 10.623 -1.094 1.00 0.25 H new ATOM 0 HA ASP A 62 5.457 9.371 -3.541 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.993 8.454 -1.132 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.546 7.325 -2.396 1.00 0.26 H new ATOM 924 N VAL A 63 3.712 8.655 -0.897 1.00 0.22 N ATOM 925 CA VAL A 63 2.456 8.054 -0.426 1.00 0.26 C ATOM 926 C VAL A 63 1.379 8.269 -1.481 1.00 0.29 C ATOM 927 O VAL A 63 0.802 7.319 -2.004 1.00 0.38 O ATOM 928 CB VAL A 63 1.991 8.723 0.926 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.595 8.292 1.311 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.929 8.383 2.065 1.00 0.27 C ATOM 0 H VAL A 63 4.142 9.286 -0.220 1.00 0.22 H new ATOM 0 HA VAL A 63 2.617 6.990 -0.255 1.00 0.26 H new ATOM 0 HB VAL A 63 2.002 9.799 0.753 1.00 0.27 H new ATOM 0 HG11 VAL A 63 0.311 8.773 2.247 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.104 8.582 0.527 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.570 7.210 1.438 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.578 8.860 2.980 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.954 7.302 2.206 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.931 8.741 1.830 1.00 0.27 H new ATOM 940 N LYS A 64 1.180 9.514 -1.835 1.00 0.27 N ATOM 941 CA LYS A 64 0.123 9.907 -2.765 1.00 0.34 C ATOM 942 C LYS A 64 0.467 9.565 -4.243 1.00 0.32 C ATOM 943 O LYS A 64 -0.325 9.801 -5.148 1.00 0.38 O ATOM 944 CB LYS A 64 -0.217 11.389 -2.571 1.00 0.44 C ATOM 945 CG LYS A 64 0.862 12.355 -3.013 1.00 0.83 C ATOM 946 CD LYS A 64 0.633 13.732 -2.433 1.00 0.73 C ATOM 947 CE LYS A 64 1.496 14.775 -3.114 1.00 1.59 C ATOM 948 NZ LYS A 64 1.114 14.963 -4.532 1.00 2.16 N ATOM 0 H LYS A 64 1.741 10.293 -1.492 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.765 9.319 -2.535 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -1.131 11.612 -3.121 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.430 11.563 -1.516 1.00 0.44 H new ATOM 0 HG2 LYS A 64 1.837 11.983 -2.700 1.00 0.83 H new ATOM 0 HG3 LYS A 64 0.878 12.414 -4.101 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -0.418 14.002 -2.540 1.00 0.73 H new ATOM 0 HD3 LYS A 64 0.852 13.719 -1.365 1.00 0.73 H new ATOM 0 HE2 LYS A 64 1.406 15.723 -2.584 1.00 1.59 H new ATOM 0 HE3 LYS A 64 2.542 14.475 -3.056 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 1.452 15.889 -4.863 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 1.542 14.212 -5.109 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 0.079 14.920 -4.621 1.00 2.16 H new ATOM 962 N ASN A 65 1.653 9.015 -4.473 1.00 0.26 N ATOM 963 CA ASN A 65 2.085 8.608 -5.814 1.00 0.29 C ATOM 964 C ASN A 65 1.709 7.183 -6.044 1.00 0.28 C ATOM 965 O ASN A 65 1.666 6.695 -7.189 1.00 0.42 O ATOM 966 CB ASN A 65 3.583 8.695 -5.971 1.00 0.36 C ATOM 967 CG ASN A 65 4.147 10.075 -6.302 1.00 0.90 C ATOM 968 OD1 ASN A 65 5.181 10.179 -6.965 1.00 1.59 O ATOM 969 ND2 ASN A 65 3.506 11.119 -5.879 1.00 1.43 N ATOM 0 H ASN A 65 2.343 8.837 -3.743 1.00 0.26 H new ATOM 0 HA ASN A 65 1.602 9.279 -6.524 1.00 0.29 H new ATOM 0 HB2 ASN A 65 4.045 8.349 -5.047 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.886 8.003 -6.757 1.00 0.36 H new ATOM 0 HD21 ASN A 65 3.855 12.053 -6.093 1.00 1.43 H new ATOM 0 HD22 ASN A 65 2.652 11.006 -5.332 1.00 1.43 H new ATOM 976 N LEU A 66 1.474 6.500 -4.967 1.00 0.21 N ATOM 977 CA LEU A 66 1.097 5.155 -5.005 1.00 0.23 C ATOM 978 C LEU A 66 -0.376 5.181 -5.167 1.00 0.25 C ATOM 979 O LEU A 66 -1.079 5.788 -4.376 1.00 0.31 O ATOM 980 CB LEU A 66 1.492 4.426 -3.702 1.00 0.22 C ATOM 981 CG LEU A 66 2.959 4.571 -3.243 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.250 3.688 -2.030 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.926 4.279 -4.378 1.00 0.23 C ATOM 0 H LEU A 66 1.545 6.887 -4.026 1.00 0.21 H new ATOM 0 HA LEU A 66 1.593 4.616 -5.812 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.848 4.788 -2.901 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.278 3.365 -3.828 1.00 0.22 H new ATOM 0 HG LEU A 66 3.107 5.608 -2.942 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.291 3.812 -1.731 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.598 3.976 -1.205 1.00 0.22 H new ATOM 0 HD13 LEU A 66 3.069 2.645 -2.288 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.950 4.390 -4.021 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.774 3.260 -4.732 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.749 4.978 -5.196 1.00 0.23 H new ATOM 995 N LYS A 67 -0.829 4.652 -6.216 1.00 0.28 N ATOM 996 CA LYS A 67 -2.238 4.651 -6.464 1.00 0.34 C ATOM 997 C LYS A 67 -2.725 3.269 -6.352 1.00 0.30 C ATOM 998 O LYS A 67 -3.723 2.997 -5.706 1.00 0.38 O ATOM 999 CB LYS A 67 -2.544 5.179 -7.842 1.00 0.46 C ATOM 1000 CG LYS A 67 -1.985 6.550 -8.112 1.00 1.05 C ATOM 1001 CD LYS A 67 -2.303 6.979 -9.511 1.00 1.26 C ATOM 1002 CE LYS A 67 -3.789 7.256 -9.697 1.00 1.83 C ATOM 1003 NZ LYS A 67 -4.109 7.692 -11.071 1.00 2.55 N ATOM 0 H LYS A 67 -0.261 4.205 -6.936 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.731 5.296 -5.737 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -2.147 4.484 -8.582 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -3.625 5.206 -7.977 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -2.401 7.265 -7.402 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -0.905 6.545 -7.963 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -1.733 7.876 -9.754 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -1.988 6.203 -10.209 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -4.357 6.356 -9.462 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -4.104 8.025 -8.991 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 -5.131 7.869 -11.150 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 -3.589 8.566 -11.288 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -3.833 6.949 -11.744 1.00 2.55 H new ATOM 1017 N THR A 68 -2.013 2.384 -6.976 1.00 0.23 N ATOM 1018 CA THR A 68 -2.363 1.051 -6.931 1.00 0.19 C ATOM 1019 C THR A 68 -1.425 0.321 -6.009 1.00 0.18 C ATOM 1020 O THR A 68 -0.397 0.876 -5.575 1.00 0.20 O ATOM 1021 CB THR A 68 -2.325 0.381 -8.314 1.00 0.18 C ATOM 1022 OG1 THR A 68 -0.976 0.308 -8.779 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.158 1.150 -9.327 1.00 0.22 C ATOM 0 H THR A 68 -1.178 2.593 -7.523 1.00 0.23 H new ATOM 0 HA THR A 68 -3.389 0.999 -6.568 1.00 0.19 H new ATOM 0 HB THR A 68 -2.743 -0.620 -8.210 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.701 1.183 -9.124 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.109 0.649 -10.294 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.194 1.190 -8.991 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.769 2.164 -9.424 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.712 -0.945 -5.758 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.838 -1.760 -4.955 1.00 0.18 C ATOM 1033 C VAL A 69 0.316 -2.157 -5.812 1.00 0.15 C ATOM 1034 O VAL A 69 1.345 -2.599 -5.334 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.532 -3.013 -4.419 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -0.725 -3.675 -3.304 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -2.940 -2.682 -3.992 1.00 1.21 C ATOM 0 H VAL A 69 -2.544 -1.424 -6.102 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.519 -1.183 -4.087 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.591 -3.747 -5.223 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -1.252 -4.561 -2.950 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.254 -3.963 -3.686 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.601 -2.974 -2.479 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -3.426 -3.581 -3.612 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -2.914 -1.925 -3.209 1.00 1.21 H new ATOM 0 HG23 VAL A 69 -3.499 -2.301 -4.847 1.00 1.21 H new ATOM 1047 N GLY A 70 0.146 -1.940 -7.105 1.00 0.14 N ATOM 1048 CA GLY A 70 1.220 -2.198 -8.015 1.00 0.16 C ATOM 1049 C GLY A 70 2.299 -1.192 -7.798 1.00 0.19 C ATOM 1050 O GLY A 70 3.460 -1.529 -7.631 1.00 0.33 O ATOM 0 H GLY A 70 -0.713 -1.592 -7.531 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.609 -3.205 -7.861 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.861 -2.148 -9.043 1.00 0.16 H new ATOM 1054 N ASP A 71 1.871 0.033 -7.693 1.00 0.17 N ATOM 1055 CA ASP A 71 2.759 1.163 -7.505 1.00 0.20 C ATOM 1056 C ASP A 71 3.383 1.088 -6.157 1.00 0.17 C ATOM 1057 O ASP A 71 4.600 1.217 -6.025 1.00 0.20 O ATOM 1058 CB ASP A 71 2.000 2.485 -7.603 1.00 0.32 C ATOM 1059 CG ASP A 71 1.230 2.640 -8.869 1.00 0.87 C ATOM 1060 OD1 ASP A 71 1.858 2.618 -9.952 1.00 1.28 O ATOM 1061 OD2 ASP A 71 -0.005 2.793 -8.821 1.00 1.39 O ATOM 0 H ASP A 71 0.884 0.287 -7.735 1.00 0.17 H new ATOM 0 HA ASP A 71 3.517 1.124 -8.287 1.00 0.20 H new ATOM 0 HB2 ASP A 71 1.315 2.564 -6.759 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.709 3.308 -7.516 1.00 0.32 H new ATOM 1066 N ALA A 72 2.531 0.857 -5.152 1.00 0.15 N ATOM 1067 CA ALA A 72 2.947 0.791 -3.762 1.00 0.13 C ATOM 1068 C ALA A 72 4.049 -0.183 -3.580 1.00 0.12 C ATOM 1069 O ALA A 72 5.149 0.179 -3.224 1.00 0.14 O ATOM 1070 CB ALA A 72 1.784 0.350 -2.886 1.00 0.13 C ATOM 0 H ALA A 72 1.531 0.711 -5.289 1.00 0.15 H new ATOM 0 HA ALA A 72 3.286 1.787 -3.477 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.108 0.304 -1.846 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.966 1.065 -2.980 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.443 -0.635 -3.203 1.00 0.13 H new ATOM 1076 N THR A 73 3.752 -1.393 -3.897 1.00 0.11 N ATOM 1077 CA THR A 73 4.634 -2.492 -3.726 1.00 0.13 C ATOM 1078 C THR A 73 5.990 -2.304 -4.397 1.00 0.16 C ATOM 1079 O THR A 73 7.035 -2.506 -3.745 1.00 0.24 O ATOM 1080 CB THR A 73 3.974 -3.750 -4.213 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.733 -3.909 -3.520 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.855 -4.918 -3.946 1.00 0.17 C ATOM 0 H THR A 73 2.852 -1.655 -4.299 1.00 0.11 H new ATOM 0 HA THR A 73 4.841 -2.564 -2.658 1.00 0.13 H new ATOM 0 HB THR A 73 3.796 -3.686 -5.286 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.075 -3.277 -3.878 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.371 -5.828 -4.301 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.804 -4.785 -4.466 1.00 0.17 H new ATOM 0 HG23 THR A 73 5.037 -4.999 -2.874 1.00 0.17 H new ATOM 1090 N LYS A 74 5.973 -1.953 -5.675 1.00 0.17 N ATOM 1091 CA LYS A 74 7.179 -1.712 -6.422 1.00 0.20 C ATOM 1092 C LYS A 74 8.006 -0.689 -5.715 1.00 0.23 C ATOM 1093 O LYS A 74 9.166 -0.911 -5.469 1.00 0.45 O ATOM 1094 CB LYS A 74 6.840 -1.209 -7.804 1.00 0.25 C ATOM 1095 CG LYS A 74 6.743 -2.271 -8.906 1.00 0.98 C ATOM 1096 CD LYS A 74 5.698 -3.336 -8.627 1.00 2.21 C ATOM 1097 CE LYS A 74 5.522 -4.277 -9.809 1.00 2.92 C ATOM 1098 NZ LYS A 74 5.053 -3.572 -11.027 1.00 3.63 N ATOM 0 H LYS A 74 5.117 -1.830 -6.215 1.00 0.17 H new ATOM 0 HA LYS A 74 7.737 -2.645 -6.506 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.888 -0.681 -7.752 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.594 -0.479 -8.097 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.509 -1.782 -9.852 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.715 -2.749 -9.026 1.00 0.98 H new ATOM 0 HD2 LYS A 74 5.989 -3.909 -7.746 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.745 -2.859 -8.397 1.00 2.21 H new ATOM 0 HE2 LYS A 74 6.470 -4.771 -10.021 1.00 2.92 H new ATOM 0 HE3 LYS A 74 4.808 -5.057 -9.546 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 4.660 -4.263 -11.698 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 4.317 -2.884 -10.768 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 5.852 -3.075 -11.470 1.00 3.63 H new ATOM 1112 N TYR A 75 7.356 0.396 -5.322 1.00 0.16 N ATOM 1113 CA TYR A 75 7.996 1.483 -4.632 1.00 0.16 C ATOM 1114 C TYR A 75 8.648 1.016 -3.352 1.00 0.16 C ATOM 1115 O TYR A 75 9.814 1.299 -3.099 1.00 0.19 O ATOM 1116 CB TYR A 75 6.989 2.551 -4.282 1.00 0.16 C ATOM 1117 CG TYR A 75 7.629 3.694 -3.538 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.505 4.565 -4.165 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.404 3.848 -2.181 1.00 0.21 C ATOM 1120 CE1 TYR A 75 9.142 5.553 -3.452 1.00 0.32 C ATOM 1121 CE2 TYR A 75 8.019 4.833 -1.470 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.891 5.683 -2.101 1.00 0.28 C ATOM 1123 OH TYR A 75 9.539 6.655 -1.374 1.00 0.40 O ATOM 0 H TYR A 75 6.358 0.539 -5.480 1.00 0.16 H new ATOM 0 HA TYR A 75 8.757 1.883 -5.302 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.523 2.925 -5.193 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.196 2.118 -3.673 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.689 4.467 -5.225 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.728 3.174 -1.676 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.833 6.221 -3.945 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.821 4.944 -0.414 1.00 0.26 H new ATOM 0 HH TYR A 75 9.778 7.400 -1.964 1.00 0.40 H new ATOM 1133 N ILE A 76 7.862 0.344 -2.549 1.00 0.14 N ATOM 1134 CA ILE A 76 8.269 -0.175 -1.273 1.00 0.16 C ATOM 1135 C ILE A 76 9.547 -0.982 -1.416 1.00 0.17 C ATOM 1136 O ILE A 76 10.578 -0.560 -0.937 1.00 0.21 O ATOM 1137 CB ILE A 76 7.126 -1.032 -0.697 1.00 0.15 C ATOM 1138 CG1 ILE A 76 5.957 -0.130 -0.362 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.562 -1.791 0.539 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.672 -0.868 -0.188 1.00 0.13 C ATOM 0 H ILE A 76 6.889 0.138 -2.776 1.00 0.14 H new ATOM 0 HA ILE A 76 8.476 0.645 -0.586 1.00 0.16 H new ATOM 0 HB ILE A 76 6.835 -1.768 -1.447 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.180 0.417 0.554 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.839 0.609 -1.154 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.728 -2.383 0.915 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.392 -2.451 0.287 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.881 -1.085 1.306 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.876 -0.162 0.050 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.426 -1.394 -1.111 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.773 -1.588 0.624 1.00 0.13 H new ATOM 1152 N LEU A 77 9.467 -2.094 -2.128 1.00 0.17 N ATOM 1153 CA LEU A 77 10.563 -3.022 -2.354 1.00 0.20 C ATOM 1154 C LEU A 77 11.771 -2.271 -2.943 1.00 0.22 C ATOM 1155 O LEU A 77 12.920 -2.476 -2.525 1.00 0.29 O ATOM 1156 CB LEU A 77 10.035 -4.047 -3.361 1.00 0.23 C ATOM 1157 CG LEU A 77 10.753 -5.380 -3.572 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.936 -6.166 -4.546 1.00 1.08 C ATOM 1159 CD2 LEU A 77 12.164 -5.223 -4.119 1.00 1.44 C ATOM 0 H LEU A 77 8.602 -2.387 -2.583 1.00 0.17 H new ATOM 0 HA LEU A 77 10.891 -3.499 -1.430 1.00 0.20 H new ATOM 0 HB2 LEU A 77 9.009 -4.278 -3.074 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.991 -3.550 -4.330 1.00 0.23 H new ATOM 0 HG LEU A 77 10.851 -5.877 -2.607 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.413 -7.129 -4.727 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.938 -6.326 -4.138 1.00 1.08 H new ATOM 0 HD13 LEU A 77 9.860 -5.616 -5.484 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.617 -6.206 -4.245 1.00 1.44 H new ATOM 0 HD22 LEU A 77 12.126 -4.715 -5.082 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.761 -4.635 -3.422 1.00 1.44 H new ATOM 1171 N ASP A 78 11.478 -1.384 -3.874 1.00 0.22 N ATOM 1172 CA ASP A 78 12.481 -0.593 -4.608 1.00 0.29 C ATOM 1173 C ASP A 78 13.287 0.231 -3.658 1.00 0.30 C ATOM 1174 O ASP A 78 14.502 0.345 -3.763 1.00 0.36 O ATOM 1175 CB ASP A 78 11.778 0.384 -5.550 1.00 0.45 C ATOM 1176 CG ASP A 78 12.720 1.107 -6.467 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.187 0.497 -7.453 1.00 0.63 O ATOM 1178 OD2 ASP A 78 13.001 2.294 -6.233 1.00 0.59 O ATOM 0 H ASP A 78 10.520 -1.179 -4.157 1.00 0.22 H new ATOM 0 HA ASP A 78 13.118 -1.286 -5.157 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.047 -0.161 -6.147 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.226 1.114 -4.959 1.00 0.45 H new ATOM 1183 N HIS A 79 12.598 0.772 -2.715 1.00 0.29 N ATOM 1184 CA HIS A 79 13.152 1.700 -1.797 1.00 0.36 C ATOM 1185 C HIS A 79 13.720 0.988 -0.562 1.00 0.42 C ATOM 1186 O HIS A 79 14.416 1.608 0.230 1.00 0.58 O ATOM 1187 CB HIS A 79 12.054 2.653 -1.395 1.00 0.38 C ATOM 1188 CG HIS A 79 12.446 4.072 -1.248 1.00 0.61 C ATOM 1189 ND1 HIS A 79 12.785 4.655 -0.054 1.00 0.99 N ATOM 1190 CD2 HIS A 79 12.461 5.049 -2.163 1.00 0.87 C ATOM 1191 CE1 HIS A 79 12.983 5.937 -0.242 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.792 6.207 -1.516 1.00 1.18 N ATOM 0 H HIS A 79 11.609 0.576 -2.558 1.00 0.29 H new ATOM 0 HA HIS A 79 13.977 2.237 -2.265 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.258 2.592 -2.137 1.00 0.38 H new ATOM 0 HB3 HIS A 79 11.634 2.313 -0.448 1.00 0.38 H new ATOM 0 HD2 HIS A 79 12.251 4.942 -3.217 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.257 6.652 0.520 1.00 1.25 H new ATOM 0 HE2 HIS A 79 12.877 7.127 -1.948 1.00 1.18 H new ATOM 1201 N GLN A 80 13.412 -0.308 -0.375 1.00 0.39 N ATOM 1202 CA GLN A 80 13.979 -1.031 0.768 1.00 0.49 C ATOM 1203 C GLN A 80 15.342 -1.458 0.416 1.00 0.58 C ATOM 1204 O GLN A 80 16.312 -1.272 1.157 1.00 0.83 O ATOM 1205 CB GLN A 80 13.245 -2.299 1.116 1.00 0.67 C ATOM 1206 CG GLN A 80 11.761 -2.265 1.067 1.00 0.52 C ATOM 1207 CD GLN A 80 11.153 -3.586 1.468 1.00 0.57 C ATOM 1208 OE1 GLN A 80 11.772 -4.623 1.358 1.00 0.87 O ATOM 1209 NE2 GLN A 80 9.910 -3.574 1.801 1.00 0.56 N ATOM 0 H GLN A 80 12.797 -0.856 -0.977 1.00 0.39 H new ATOM 0 HA GLN A 80 13.923 -0.345 1.613 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.586 -3.082 0.439 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.542 -2.595 2.122 1.00 0.67 H new ATOM 0 HG2 GLN A 80 11.394 -1.481 1.729 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.437 -2.008 0.058 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.413 -2.687 1.886 1.00 0.56 H new ATOM 0 HE22 GLN A 80 9.421 -4.451 1.980 1.00 0.56 H new ATOM 1218 N ALA A 81 15.390 -2.042 -0.711 1.00 0.71 N ATOM 1219 CA ALA A 81 16.577 -2.631 -1.227 1.00 1.01 C ATOM 1220 C ALA A 81 17.079 -1.848 -2.433 1.00 1.44 C ATOM 1221 O ALA A 81 16.731 -2.201 -3.584 1.00 1.97 O ATOM 1222 CB ALA A 81 16.320 -4.089 -1.579 1.00 1.30 C ATOM 1223 OXT ALA A 81 17.786 -0.839 -2.244 1.00 1.97 O ATOM 0 H ALA A 81 14.584 -2.132 -1.329 1.00 0.71 H new ATOM 0 HA ALA A 81 17.355 -2.597 -0.465 1.00 1.01 H new ATOM 0 HB1 ALA A 81 17.233 -4.534 -1.974 1.00 1.30 H new ATOM 0 HB2 ALA A 81 16.009 -4.630 -0.685 1.00 1.30 H new ATOM 0 HB3 ALA A 81 15.533 -4.149 -2.331 1.00 1.30 H new TER 1229 ALA A 81 HETATM 1230 C1 SYO A 101 -2.673 7.463 0.187 1.00 0.56 C HETATM 1231 S1 SYO A 101 -2.668 9.249 0.501 1.00 0.76 S HETATM 1232 C2 SYO A 101 -2.273 7.045 -1.195 1.00 0.69 C HETATM 1233 C3 SYO A 101 -2.602 5.610 -1.468 1.00 0.54 C HETATM 1234 O3 SYO A 101 -3.778 5.235 -1.546 1.00 0.86 O HETATM 1235 C4 SYO A 101 -1.474 4.662 -1.661 1.00 0.47 C HETATM 1236 C5 SYO A 101 -1.464 3.506 -0.694 1.00 0.58 C HETATM 1237 C6 SYO A 101 -0.053 2.978 -0.541 1.00 0.57 C HETATM 1238 C7 SYO A 101 0.025 1.840 0.447 1.00 0.49 C HETATM 1239 C8 SYO A 101 1.464 1.421 0.597 1.00 0.47 C HETATM 1240 O23 SYO A 101 -11.310 7.690 -1.900 1.00 1.37 O HETATM 1241 P24 SYO A 101 -10.427 8.838 -1.621 1.00 0.96 P HETATM 1242 O26 SYO A 101 -11.021 10.205 -1.467 1.00 1.27 O HETATM 1243 O27 SYO A 101 -9.397 8.864 -2.789 1.00 1.04 O HETATM 1244 C28 SYO A 101 -8.272 9.770 -2.735 1.00 0.84 C HETATM 1245 C29 SYO A 101 -8.091 10.411 -4.132 1.00 0.82 C HETATM 1246 C30 SYO A 101 -9.240 11.373 -4.323 1.00 1.03 C HETATM 1247 C31 SYO A 101 -6.771 11.179 -4.178 1.00 0.73 C HETATM 1248 C32 SYO A 101 -8.122 9.321 -5.318 1.00 0.93 C HETATM 1249 O33 SYO A 101 -8.138 9.954 -6.582 1.00 1.10 O HETATM 1250 C34 SYO A 101 -6.947 8.377 -5.336 1.00 0.83 C HETATM 1251 O35 SYO A 101 -6.307 8.233 -6.393 1.00 0.96 O HETATM 1252 N36 SYO A 101 -6.679 7.767 -4.228 1.00 0.71 N HETATM 1253 C37 SYO A 101 -5.579 6.808 -3.984 1.00 0.70 C HETATM 1254 C38 SYO A 101 -4.202 7.405 -4.323 1.00 0.66 C HETATM 1255 C39 SYO A 101 -3.960 8.772 -3.724 1.00 0.47 C HETATM 1256 O40 SYO A 101 -3.499 9.707 -4.388 1.00 0.53 O HETATM 1257 N41 SYO A 101 -4.303 8.876 -2.473 1.00 0.38 N HETATM 1258 C42 SYO A 101 -4.183 10.074 -1.707 1.00 0.43 C HETATM 1259 C43 SYO A 101 -4.225 9.815 -0.222 1.00 0.71 C HETATM 0 HO33 SYO A 101 -7.338 9.698 -7.086 1.00 1.10 H new HETATM 0 HN41 SYO A 101 -4.681 8.049 -2.011 1.00 0.38 H new HETATM 0 HN36 SYO A 101 -7.291 7.968 -3.438 1.00 0.71 H new HETATM 0 H43A SYO A 101 -4.994 9.069 -0.020 1.00 0.71 H new HETATM 0 H42A SYO A 101 -3.246 10.571 -1.960 1.00 0.43 H new HETATM 0 H38A SYO A 101 -3.426 6.724 -3.973 1.00 0.66 H new HETATM 0 H37A SYO A 101 -5.592 6.501 -2.938 1.00 0.70 H new HETATM 0 H31B SYO A 101 -6.779 11.962 -3.419 1.00 0.73 H new HETATM 0 H31A SYO A 101 -5.945 10.495 -3.985 1.00 0.73 H new HETATM 0 H30B SYO A 101 -10.183 10.829 -4.266 1.00 1.03 H new HETATM 0 H30A SYO A 101 -9.212 12.133 -3.542 1.00 1.03 H new HETATM 0 H28A SYO A 101 -8.442 10.541 -1.984 1.00 0.84 H new HETATM 0 H8B SYO A 101 1.851 1.097 -0.369 1.00 0.47 H new HETATM 0 H8A SYO A 101 2.052 2.264 0.959 1.00 0.47 H new HETATM 0 H8 SYO A 101 1.531 0.599 1.309 1.00 0.47 H new HETATM 0 H7A SYO A 101 -0.380 2.149 1.411 1.00 0.49 H new HETATM 0 H7 SYO A 101 -0.578 1.000 0.103 1.00 0.49 H new HETATM 0 H6A SYO A 101 0.314 2.641 -1.510 1.00 0.57 H new HETATM 0 H6 SYO A 101 0.602 3.786 -0.215 1.00 0.57 H new HETATM 0 H5A SYO A 101 -1.849 3.826 0.274 1.00 0.58 H new HETATM 0 H5 SYO A 101 -2.122 2.714 -1.053 1.00 0.58 H new HETATM 0 H4A SYO A 101 -1.514 4.270 -2.677 1.00 0.47 H new HETATM 0 H43 SYO A 101 -4.530 10.732 0.283 1.00 0.71 H new HETATM 0 H42 SYO A 101 -4.989 10.756 -1.977 1.00 0.43 H new HETATM 0 H4 SYO A 101 -0.535 5.208 -1.566 1.00 0.47 H new HETATM 0 H38 SYO A 101 -4.103 7.472 -5.406 1.00 0.66 H new HETATM 0 H37 SYO A 101 -5.742 5.911 -4.582 1.00 0.70 H new HETATM 0 H32 SYO A 101 -9.028 8.748 -5.122 1.00 0.93 H new HETATM 0 H31 SYO A 101 -6.646 11.629 -5.163 1.00 0.73 H new HETATM 0 H30 SYO A 101 -9.155 11.852 -5.299 1.00 1.03 H new HETATM 0 H2A SYO A 101 -2.779 7.677 -1.925 1.00 0.69 H new HETATM 0 H28 SYO A 101 -7.368 9.235 -2.444 1.00 0.84 H new HETATM 0 H2 SYO A 101 -1.202 7.202 -1.325 1.00 0.69 H new HETATM 0 H1A SYO A 101 -2.001 6.986 0.900 1.00 0.56 H new HETATM 0 H1 SYO A 101 -3.674 7.080 0.387 1.00 0.56 H new