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 Single : A 1 ALA N :NH3+ -151:sc= 1.02 (180deg=0.171) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 4 GLN : amide:sc= -0.0175 X(o=-0.017,f=-0.064) USER MOD Single : A 16 ASN : amide:sc= -11.3! C(o=-11!,f=-10!) 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 99:sc= 0.816 USER MOD Single : A 33 THR OG1 : rot 69:sc= 1.16 USER MOD Single : A 42 SER OG : rot 66:sc= 1.16 USER MOD Single : A 43 MET CE :methyl 164:sc= -5.41! (180deg=-6.16!) USER MOD Single : A 57 LYS NZ :NH3+ -146:sc= 0.375 (180deg=-0.0269) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.178 K(o=0.18,f=-1.1) USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= -0.367 (180deg=-2.06!) USER MOD Single : A 68 THR OG1 : rot -64:sc= 1.69 USER MOD Single : A 73 THR OG1 : rot 66:sc= 0.38 USER MOD Single : A 74 LYS NZ :NH3+ -163:sc= -0.033 (180deg=-0.225) USER MOD Single : A 75 TYR OH : rot 30:sc= -0.226 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -5.72! C(o=-5.7!,f=-14!) USER MOD Single : A 101 SYO O33 : rot 117:sc= 0.133 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.967 -4.986 4.779 1.00 1.42 N ATOM 2 CA ALA A 1 14.577 -5.055 3.379 1.00 0.94 C ATOM 3 C ALA A 1 13.875 -6.345 3.097 1.00 0.83 C ATOM 4 O ALA A 1 14.462 -7.423 3.168 1.00 1.23 O ATOM 5 CB ALA A 1 15.775 -4.878 2.465 1.00 1.13 C ATOM 0 H1 ALA A 1 14.988 -3.992 5.085 1.00 1.42 H new ATOM 0 H2 ALA A 1 14.281 -5.512 5.357 1.00 1.42 H new ATOM 0 H3 ALA A 1 15.912 -5.404 4.897 1.00 1.42 H new ATOM 0 HA ALA A 1 13.887 -4.236 3.178 1.00 0.94 H new ATOM 0 HB1 ALA A 1 15.451 -4.934 1.426 1.00 1.13 H new ATOM 0 HB2 ALA A 1 16.233 -3.907 2.650 1.00 1.13 H new ATOM 0 HB3 ALA A 1 16.502 -5.666 2.662 1.00 1.13 H new ATOM 13 N ALA A 2 12.612 -6.225 2.826 1.00 0.85 N ATOM 14 CA ALA A 2 11.773 -7.321 2.487 1.00 1.24 C ATOM 15 C ALA A 2 11.387 -7.197 1.025 1.00 1.16 C ATOM 16 O ALA A 2 11.753 -6.219 0.353 1.00 1.77 O ATOM 17 CB ALA A 2 10.546 -7.329 3.372 1.00 1.85 C ATOM 0 H ALA A 2 12.125 -5.329 2.837 1.00 0.85 H new ATOM 0 HA ALA A 2 12.301 -8.262 2.643 1.00 1.24 H new ATOM 0 HB1 ALA A 2 9.910 -8.173 3.104 1.00 1.85 H new ATOM 0 HB2 ALA A 2 10.850 -7.421 4.415 1.00 1.85 H new ATOM 0 HB3 ALA A 2 9.993 -6.400 3.236 1.00 1.85 H new ATOM 23 N THR A 3 10.663 -8.144 0.537 1.00 0.54 N ATOM 24 CA THR A 3 10.292 -8.171 -0.851 1.00 0.48 C ATOM 25 C THR A 3 8.769 -8.112 -1.016 1.00 0.35 C ATOM 26 O THR A 3 8.044 -8.059 -0.026 1.00 0.35 O ATOM 27 CB THR A 3 10.936 -9.404 -1.575 1.00 0.59 C ATOM 28 OG1 THR A 3 10.610 -9.461 -2.979 1.00 0.66 O ATOM 29 CG2 THR A 3 10.539 -10.695 -0.905 1.00 0.66 C ATOM 0 H THR A 3 10.306 -8.928 1.084 1.00 0.54 H new ATOM 0 HA THR A 3 10.689 -7.279 -1.336 1.00 0.48 H new ATOM 0 HB THR A 3 12.015 -9.273 -1.494 1.00 0.59 H new ATOM 0 HG1 THR A 3 11.037 -10.246 -3.382 1.00 0.66 H new ATOM 0 HG21 THR A 3 11.000 -11.533 -1.428 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.875 -10.685 0.132 1.00 0.66 H new ATOM 0 HG23 THR A 3 9.455 -10.801 -0.934 1.00 0.66 H new ATOM 37 N GLN A 4 8.310 -8.129 -2.263 1.00 0.32 N ATOM 38 CA GLN A 4 6.890 -8.040 -2.640 1.00 0.28 C ATOM 39 C GLN A 4 6.020 -9.041 -1.901 1.00 0.27 C ATOM 40 O GLN A 4 4.868 -8.731 -1.569 1.00 0.26 O ATOM 41 CB GLN A 4 6.741 -8.171 -4.170 1.00 0.33 C ATOM 42 CG GLN A 4 5.305 -8.176 -4.712 1.00 0.37 C ATOM 43 CD GLN A 4 4.716 -9.565 -4.922 1.00 0.39 C ATOM 44 OE1 GLN A 4 4.871 -10.154 -5.982 1.00 0.74 O ATOM 45 NE2 GLN A 4 4.014 -10.076 -3.949 1.00 0.48 N ATOM 0 H GLN A 4 8.929 -8.207 -3.070 1.00 0.32 H new ATOM 0 HA GLN A 4 6.530 -7.057 -2.336 1.00 0.28 H new ATOM 0 HB2 GLN A 4 7.281 -7.349 -4.639 1.00 0.33 H new ATOM 0 HB3 GLN A 4 7.229 -9.093 -4.484 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.667 -7.625 -4.021 1.00 0.37 H new ATOM 0 HG3 GLN A 4 5.286 -7.639 -5.661 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.902 -9.561 -3.076 1.00 0.48 H new ATOM 0 HE22 GLN A 4 3.577 -10.991 -4.061 1.00 0.48 H new ATOM 54 N GLU A 5 6.552 -10.219 -1.682 1.00 0.33 N ATOM 55 CA GLU A 5 5.885 -11.275 -0.947 1.00 0.40 C ATOM 56 C GLU A 5 5.407 -10.771 0.419 1.00 0.39 C ATOM 57 O GLU A 5 4.252 -10.949 0.774 1.00 0.55 O ATOM 58 CB GLU A 5 6.791 -12.517 -0.796 1.00 0.57 C ATOM 59 CG GLU A 5 7.194 -13.207 -2.115 1.00 0.85 C ATOM 60 CD GLU A 5 8.195 -12.432 -2.964 1.00 1.88 C ATOM 61 OE1 GLU A 5 7.806 -11.500 -3.679 1.00 2.66 O ATOM 62 OE2 GLU A 5 9.380 -12.761 -2.948 1.00 2.37 O ATOM 0 H GLU A 5 7.480 -10.479 -2.015 1.00 0.33 H new ATOM 0 HA GLU A 5 5.009 -11.577 -1.521 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.698 -12.222 -0.268 1.00 0.57 H new ATOM 0 HB3 GLU A 5 6.279 -13.245 -0.167 1.00 0.57 H new ATOM 0 HG2 GLU A 5 7.617 -14.184 -1.883 1.00 0.85 H new ATOM 0 HG3 GLU A 5 6.295 -13.381 -2.707 1.00 0.85 H new ATOM 69 N GLU A 6 6.297 -10.113 1.139 1.00 0.36 N ATOM 70 CA GLU A 6 5.989 -9.479 2.424 1.00 0.42 C ATOM 71 C GLU A 6 5.015 -8.318 2.212 1.00 0.32 C ATOM 72 O GLU A 6 4.087 -8.116 2.989 1.00 0.37 O ATOM 73 CB GLU A 6 7.298 -8.908 3.033 1.00 0.55 C ATOM 74 CG GLU A 6 7.144 -8.137 4.367 1.00 0.82 C ATOM 75 CD GLU A 6 6.734 -8.984 5.556 1.00 1.75 C ATOM 76 OE1 GLU A 6 5.554 -9.330 5.681 1.00 2.73 O ATOM 77 OE2 GLU A 6 7.597 -9.283 6.415 1.00 2.05 O ATOM 0 H GLU A 6 7.269 -9.998 0.851 1.00 0.36 H new ATOM 0 HA GLU A 6 5.544 -10.219 3.089 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.992 -9.733 3.191 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.756 -8.242 2.302 1.00 0.55 H new ATOM 0 HG2 GLU A 6 8.091 -7.649 4.598 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.404 -7.349 4.230 1.00 0.82 H new ATOM 84 N ILE A 7 5.212 -7.596 1.120 1.00 0.21 N ATOM 85 CA ILE A 7 4.519 -6.357 0.891 1.00 0.16 C ATOM 86 C ILE A 7 3.057 -6.568 0.560 1.00 0.14 C ATOM 87 O ILE A 7 2.220 -6.232 1.337 1.00 0.18 O ATOM 88 CB ILE A 7 5.215 -5.597 -0.246 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.660 -5.318 0.157 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.484 -4.300 -0.549 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.511 -4.774 -0.949 1.00 0.23 C ATOM 0 H ILE A 7 5.857 -7.859 0.375 1.00 0.21 H new ATOM 0 HA ILE A 7 4.554 -5.775 1.812 1.00 0.16 H new ATOM 0 HB ILE A 7 5.201 -6.205 -1.151 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.664 -4.610 0.986 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.108 -6.241 0.525 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.993 -3.776 -1.358 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.459 -4.521 -0.848 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.474 -3.671 0.341 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.522 -4.603 -0.580 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.541 -5.489 -1.771 1.00 0.23 H new ATOM 0 HD13 ILE A 7 7.090 -3.833 -1.302 1.00 0.23 H new ATOM 103 N VAL A 8 2.768 -7.152 -0.555 1.00 0.13 N ATOM 104 CA VAL A 8 1.385 -7.347 -0.977 1.00 0.15 C ATOM 105 C VAL A 8 0.590 -8.186 0.013 1.00 0.18 C ATOM 106 O VAL A 8 -0.546 -7.835 0.342 1.00 0.25 O ATOM 107 CB VAL A 8 1.309 -7.916 -2.406 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.131 -8.109 -2.868 1.00 0.27 C ATOM 109 CG2 VAL A 8 2.047 -6.999 -3.349 1.00 0.17 C ATOM 0 H VAL A 8 3.464 -7.512 -1.208 1.00 0.13 H new ATOM 0 HA VAL A 8 0.915 -6.364 -0.992 1.00 0.15 H new ATOM 0 HB VAL A 8 1.778 -8.900 -2.406 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.137 -8.512 -3.881 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.638 -8.803 -2.198 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.649 -7.150 -2.856 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.995 -7.400 -4.361 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.590 -6.010 -3.326 1.00 0.17 H new ATOM 0 HG23 VAL A 8 3.090 -6.924 -3.042 1.00 0.17 H new ATOM 119 N ALA A 9 1.203 -9.227 0.534 1.00 0.18 N ATOM 120 CA ALA A 9 0.539 -10.070 1.504 1.00 0.22 C ATOM 121 C ALA A 9 0.209 -9.280 2.760 1.00 0.21 C ATOM 122 O ALA A 9 -0.867 -9.435 3.332 1.00 0.27 O ATOM 123 CB ALA A 9 1.394 -11.267 1.852 1.00 0.26 C ATOM 0 H ALA A 9 2.156 -9.509 0.303 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.390 -10.427 1.060 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.873 -11.886 2.583 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.585 -11.852 0.952 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.341 -10.928 2.272 1.00 0.26 H new ATOM 129 N GLY A 10 1.114 -8.385 3.134 1.00 0.18 N ATOM 130 CA GLY A 10 0.966 -7.627 4.318 1.00 0.18 C ATOM 131 C GLY A 10 0.098 -6.439 4.156 1.00 0.15 C ATOM 132 O GLY A 10 -0.706 -6.129 5.028 1.00 0.16 O ATOM 0 H GLY A 10 1.964 -8.182 2.608 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.552 -8.265 5.099 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.950 -7.304 4.658 1.00 0.18 H new ATOM 136 N LEU A 11 0.246 -5.786 3.043 1.00 0.14 N ATOM 137 CA LEU A 11 -0.472 -4.590 2.728 1.00 0.13 C ATOM 138 C LEU A 11 -1.948 -4.923 2.632 1.00 0.14 C ATOM 139 O LEU A 11 -2.793 -4.151 3.078 1.00 0.16 O ATOM 140 CB LEU A 11 0.060 -4.031 1.410 1.00 0.13 C ATOM 141 CG LEU A 11 0.263 -2.521 1.330 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.825 -2.147 -0.023 1.00 0.18 C ATOM 143 CD2 LEU A 11 -1.026 -1.798 1.578 1.00 0.20 C ATOM 0 H LEU A 11 0.889 -6.080 2.308 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.337 -3.834 3.502 1.00 0.13 H new ATOM 0 HB2 LEU A 11 1.015 -4.513 1.198 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.627 -4.323 0.616 1.00 0.13 H new ATOM 0 HG LEU A 11 0.972 -2.224 2.103 1.00 0.15 H new ATOM 0 HD11 LEU A 11 0.967 -1.067 -0.072 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.783 -2.646 -0.170 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.131 -2.458 -0.804 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.858 -0.723 1.516 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.759 -2.094 0.828 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.400 -2.050 2.570 1.00 0.20 H new ATOM 155 N ALA A 12 -2.244 -6.104 2.091 1.00 0.12 N ATOM 156 CA ALA A 12 -3.599 -6.596 2.024 1.00 0.13 C ATOM 157 C ALA A 12 -4.175 -6.670 3.416 1.00 0.11 C ATOM 158 O ALA A 12 -5.239 -6.125 3.664 1.00 0.13 O ATOM 159 CB ALA A 12 -3.645 -7.965 1.371 1.00 0.14 C ATOM 0 H ALA A 12 -1.549 -6.735 1.692 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.191 -5.910 1.418 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.677 -8.315 1.332 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.246 -7.899 0.359 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.046 -8.666 1.952 1.00 0.14 H new ATOM 165 N GLU A 13 -3.418 -7.280 4.326 1.00 0.12 N ATOM 166 CA GLU A 13 -3.830 -7.465 5.718 1.00 0.13 C ATOM 167 C GLU A 13 -4.083 -6.156 6.416 1.00 0.15 C ATOM 168 O GLU A 13 -5.067 -6.007 7.145 1.00 0.19 O ATOM 169 CB GLU A 13 -2.831 -8.298 6.474 1.00 0.18 C ATOM 170 CG GLU A 13 -2.680 -9.679 5.905 1.00 0.23 C ATOM 171 CD GLU A 13 -1.655 -10.487 6.639 1.00 0.36 C ATOM 172 OE1 GLU A 13 -0.465 -10.260 6.443 1.00 0.52 O ATOM 173 OE2 GLU A 13 -2.014 -11.386 7.415 1.00 0.68 O ATOM 0 H GLU A 13 -2.496 -7.663 4.118 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.777 -8.004 5.700 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.863 -7.797 6.462 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.140 -8.371 7.517 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.641 -10.193 5.944 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.399 -9.608 4.854 1.00 0.23 H new ATOM 180 N ILE A 14 -3.225 -5.209 6.165 1.00 0.14 N ATOM 181 CA ILE A 14 -3.380 -3.862 6.693 1.00 0.17 C ATOM 182 C ILE A 14 -4.739 -3.283 6.260 1.00 0.18 C ATOM 183 O ILE A 14 -5.475 -2.738 7.062 1.00 0.22 O ATOM 184 CB ILE A 14 -2.228 -2.985 6.184 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.918 -3.518 6.749 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.433 -1.528 6.578 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.297 -3.053 6.019 1.00 0.25 C ATOM 0 H ILE A 14 -2.393 -5.338 5.589 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.351 -3.886 7.782 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.200 -3.025 5.095 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.837 -3.218 7.794 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -0.944 -4.608 6.731 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.602 -0.930 6.204 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.365 -1.163 6.148 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.478 -1.448 7.664 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.186 -3.478 6.485 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.243 -3.376 4.979 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.351 -1.965 6.059 1.00 0.25 H new ATOM 199 N VAL A 15 -5.096 -3.512 5.018 1.00 0.15 N ATOM 200 CA VAL A 15 -6.333 -3.005 4.453 1.00 0.17 C ATOM 201 C VAL A 15 -7.550 -3.729 5.058 1.00 0.18 C ATOM 202 O VAL A 15 -8.680 -3.200 5.091 1.00 0.22 O ATOM 203 CB VAL A 15 -6.332 -3.122 2.901 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.633 -2.679 2.317 1.00 0.27 C ATOM 205 CG2 VAL A 15 -5.220 -2.296 2.307 1.00 0.23 C ATOM 0 H VAL A 15 -4.536 -4.058 4.364 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.407 -1.948 4.707 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.179 -4.174 2.659 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.596 -2.774 1.232 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.438 -3.301 2.709 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.816 -1.638 2.584 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -5.236 -2.391 1.221 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.357 -1.250 2.582 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.261 -2.649 2.688 1.00 0.23 H new ATOM 215 N ASN A 16 -7.315 -4.913 5.566 1.00 0.16 N ATOM 216 CA ASN A 16 -8.375 -5.711 6.164 1.00 0.20 C ATOM 217 C ASN A 16 -8.670 -5.129 7.526 1.00 0.25 C ATOM 218 O ASN A 16 -9.820 -4.951 7.911 1.00 0.34 O ATOM 219 CB ASN A 16 -7.963 -7.193 6.342 1.00 0.20 C ATOM 220 CG ASN A 16 -7.277 -7.819 5.155 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.446 -8.687 5.306 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.653 -7.447 3.973 1.00 0.27 N ATOM 0 H ASN A 16 -6.396 -5.354 5.581 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.243 -5.686 5.506 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.300 -7.267 7.204 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.855 -7.775 6.574 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.248 -7.887 3.147 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.354 -6.714 3.868 1.00 0.27 H new ATOM 229 N GLU A 17 -7.602 -4.786 8.218 1.00 0.26 N ATOM 230 CA GLU A 17 -7.655 -4.253 9.562 1.00 0.35 C ATOM 231 C GLU A 17 -8.079 -2.772 9.586 1.00 0.38 C ATOM 232 O GLU A 17 -8.824 -2.347 10.476 1.00 0.47 O ATOM 233 CB GLU A 17 -6.295 -4.439 10.231 1.00 0.41 C ATOM 234 CG GLU A 17 -5.862 -5.899 10.332 1.00 0.46 C ATOM 235 CD GLU A 17 -4.526 -6.070 11.019 1.00 1.22 C ATOM 236 OE1 GLU A 17 -4.403 -5.661 12.193 1.00 1.35 O ATOM 237 OE2 GLU A 17 -3.585 -6.657 10.426 1.00 2.07 O ATOM 0 H GLU A 17 -6.654 -4.872 7.853 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.416 -4.803 10.116 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.544 -3.883 9.670 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.329 -4.008 11.232 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -6.620 -6.461 10.878 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -5.808 -6.327 9.331 1.00 0.46 H new ATOM 244 N ILE A 18 -7.583 -1.998 8.634 1.00 0.32 N ATOM 245 CA ILE A 18 -7.929 -0.579 8.524 1.00 0.38 C ATOM 246 C ILE A 18 -9.372 -0.413 8.032 1.00 0.39 C ATOM 247 O ILE A 18 -10.185 0.242 8.675 1.00 0.43 O ATOM 248 CB ILE A 18 -6.973 0.130 7.504 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.516 0.187 8.019 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.469 1.531 7.150 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.264 1.153 9.146 1.00 0.58 C ATOM 0 H ILE A 18 -6.934 -2.326 7.919 1.00 0.32 H new ATOM 0 HA ILE A 18 -7.825 -0.129 9.511 1.00 0.38 H new ATOM 0 HB ILE A 18 -6.982 -0.475 6.597 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.226 -0.811 8.347 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -4.865 0.450 7.186 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.781 1.992 6.441 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.461 1.464 6.703 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.519 2.138 8.054 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.213 1.114 9.431 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.515 2.163 8.822 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -5.882 0.882 10.002 1.00 0.58 H new ATOM 263 N ALA A 19 -9.696 -1.033 6.915 1.00 0.39 N ATOM 264 CA ALA A 19 -11.002 -0.844 6.327 1.00 0.44 C ATOM 265 C ALA A 19 -11.856 -2.078 6.483 1.00 0.41 C ATOM 266 O ALA A 19 -12.754 -2.117 7.323 1.00 0.54 O ATOM 267 CB ALA A 19 -10.885 -0.433 4.861 1.00 0.48 C ATOM 0 H ALA A 19 -9.080 -1.664 6.403 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.496 -0.034 6.863 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.881 -0.297 4.441 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.330 0.502 4.788 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.360 -1.211 4.306 1.00 0.48 H new ATOM 273 N GLY A 20 -11.557 -3.088 5.713 1.00 0.34 N ATOM 274 CA GLY A 20 -12.327 -4.298 5.772 1.00 0.33 C ATOM 275 C GLY A 20 -12.290 -5.057 4.480 1.00 0.32 C ATOM 276 O GLY A 20 -13.310 -5.501 3.976 1.00 0.43 O ATOM 0 H GLY A 20 -10.790 -3.097 5.041 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.946 -4.930 6.574 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.361 -4.057 6.020 1.00 0.33 H new ATOM 280 N ILE A 21 -11.121 -5.175 3.914 1.00 0.27 N ATOM 281 CA ILE A 21 -10.951 -5.954 2.714 1.00 0.26 C ATOM 282 C ILE A 21 -10.749 -7.427 3.099 1.00 0.25 C ATOM 283 O ILE A 21 -10.324 -7.705 4.193 1.00 0.24 O ATOM 284 CB ILE A 21 -9.803 -5.359 1.803 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.384 -4.359 0.769 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.925 -6.414 1.122 1.00 0.31 C ATOM 287 CD1 ILE A 21 -11.110 -3.163 1.365 1.00 0.29 C ATOM 0 H ILE A 21 -10.267 -4.741 4.264 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.849 -5.903 2.098 1.00 0.26 H new ATOM 0 HB ILE A 21 -9.135 -4.827 2.481 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.570 -3.995 0.142 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -11.074 -4.895 0.117 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -8.165 -5.919 0.518 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.442 -7.030 1.880 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.543 -7.044 0.483 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.479 -2.524 0.562 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.950 -3.510 1.967 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.423 -2.596 1.993 1.00 0.29 H new ATOM 299 N PRO A 22 -11.141 -8.362 2.251 1.00 0.29 N ATOM 300 CA PRO A 22 -11.016 -9.834 2.501 1.00 0.35 C ATOM 301 C PRO A 22 -9.632 -10.439 2.166 1.00 0.45 C ATOM 302 O PRO A 22 -9.554 -11.611 1.818 1.00 1.08 O ATOM 303 CB PRO A 22 -12.018 -10.408 1.503 1.00 0.37 C ATOM 304 CG PRO A 22 -12.807 -9.247 1.011 1.00 0.44 C ATOM 305 CD PRO A 22 -11.867 -8.112 1.023 1.00 0.34 C ATOM 0 HA PRO A 22 -11.173 -10.053 3.557 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.508 -10.911 0.681 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.664 -11.147 1.978 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -13.193 -9.429 0.008 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.667 -9.054 1.653 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -11.213 -8.110 0.151 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.382 -7.151 1.037 1.00 0.34 H new ATOM 313 N VAL A 23 -8.575 -9.638 2.280 1.00 0.39 N ATOM 314 CA VAL A 23 -7.138 -10.003 1.968 1.00 0.32 C ATOM 315 C VAL A 23 -6.917 -10.577 0.535 1.00 0.42 C ATOM 316 O VAL A 23 -5.815 -10.941 0.158 1.00 0.81 O ATOM 317 CB VAL A 23 -6.442 -10.903 3.087 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.890 -12.358 3.075 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.923 -10.798 3.059 1.00 0.33 C ATOM 0 H VAL A 23 -8.667 -8.675 2.602 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.623 -9.042 1.984 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.789 -10.484 4.032 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.373 -12.904 3.864 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.966 -12.409 3.243 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.653 -12.804 2.109 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.500 -11.430 3.840 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.553 -11.126 2.087 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.627 -9.763 3.229 1.00 0.33 H new ATOM 329 N GLU A 24 -7.942 -10.538 -0.268 1.00 0.33 N ATOM 330 CA GLU A 24 -7.893 -11.083 -1.610 1.00 0.40 C ATOM 331 C GLU A 24 -7.876 -9.995 -2.658 1.00 0.34 C ATOM 332 O GLU A 24 -7.339 -10.175 -3.737 1.00 0.44 O ATOM 333 CB GLU A 24 -9.112 -11.956 -1.824 1.00 0.57 C ATOM 334 CG GLU A 24 -9.099 -13.252 -1.047 1.00 1.36 C ATOM 335 CD GLU A 24 -8.005 -14.181 -1.504 1.00 1.86 C ATOM 336 OE1 GLU A 24 -8.145 -14.777 -2.592 1.00 2.20 O ATOM 337 OE2 GLU A 24 -7.014 -14.361 -0.778 1.00 2.31 O ATOM 0 H GLU A 24 -8.841 -10.128 -0.017 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.974 -11.660 -1.711 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -10.002 -11.390 -1.547 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -9.197 -12.185 -2.886 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -8.970 -13.036 0.014 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -10.063 -13.748 -1.156 1.00 1.36 H new ATOM 344 N ASP A 25 -8.440 -8.859 -2.319 1.00 0.28 N ATOM 345 CA ASP A 25 -8.616 -7.790 -3.290 1.00 0.29 C ATOM 346 C ASP A 25 -7.385 -6.962 -3.442 1.00 0.25 C ATOM 347 O ASP A 25 -7.129 -6.414 -4.505 1.00 0.28 O ATOM 348 CB ASP A 25 -9.807 -6.895 -2.929 1.00 0.35 C ATOM 349 CG ASP A 25 -11.121 -7.609 -3.036 1.00 0.94 C ATOM 350 OD1 ASP A 25 -11.717 -7.620 -4.124 1.00 1.57 O ATOM 351 OD2 ASP A 25 -11.576 -8.190 -2.043 1.00 1.59 O ATOM 0 H ASP A 25 -8.786 -8.646 -1.383 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.818 -8.273 -4.246 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -9.682 -6.524 -1.912 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.816 -6.026 -3.587 1.00 0.35 H new ATOM 356 N VAL A 26 -6.605 -6.882 -2.393 1.00 0.23 N ATOM 357 CA VAL A 26 -5.410 -6.034 -2.428 1.00 0.22 C ATOM 358 C VAL A 26 -4.293 -6.726 -3.184 1.00 0.25 C ATOM 359 O VAL A 26 -3.523 -7.497 -2.617 1.00 0.30 O ATOM 360 CB VAL A 26 -4.902 -5.645 -1.020 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.775 -4.617 -1.119 1.00 0.24 C ATOM 362 CG2 VAL A 26 -6.021 -5.112 -0.166 1.00 0.27 C ATOM 0 H VAL A 26 -6.759 -7.377 -1.515 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.703 -5.116 -2.938 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.513 -6.546 -0.546 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.431 -4.356 -0.118 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.947 -5.039 -1.689 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -4.142 -3.722 -1.621 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.633 -4.847 0.818 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.449 -4.227 -0.638 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.792 -5.875 -0.059 1.00 0.27 H new ATOM 372 N LYS A 27 -4.288 -6.537 -4.474 1.00 0.28 N ATOM 373 CA LYS A 27 -3.270 -7.081 -5.312 1.00 0.35 C ATOM 374 C LYS A 27 -2.653 -5.987 -6.117 1.00 0.37 C ATOM 375 O LYS A 27 -3.177 -4.874 -6.164 1.00 0.72 O ATOM 376 CB LYS A 27 -3.822 -8.158 -6.228 1.00 0.40 C ATOM 377 CG LYS A 27 -4.323 -9.379 -5.496 1.00 0.83 C ATOM 378 CD LYS A 27 -4.684 -10.470 -6.460 1.00 1.13 C ATOM 379 CE LYS A 27 -5.174 -11.700 -5.731 1.00 1.15 C ATOM 380 NZ LYS A 27 -5.397 -12.812 -6.662 1.00 1.58 N ATOM 0 H LYS A 27 -4.996 -5.997 -4.971 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.513 -7.543 -4.678 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -4.637 -7.738 -6.817 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.044 -8.460 -6.930 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -3.557 -9.735 -4.808 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -5.194 -9.116 -4.895 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -5.457 -10.116 -7.142 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -3.815 -10.725 -7.067 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -4.444 -11.994 -4.976 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -6.101 -11.470 -5.206 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -5.733 -13.644 -6.135 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -6.111 -12.537 -7.367 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -4.506 -13.045 -7.145 1.00 1.58 H new ATOM 394 N LEU A 28 -1.566 -6.289 -6.758 1.00 0.24 N ATOM 395 CA LEU A 28 -0.847 -5.325 -7.542 1.00 0.22 C ATOM 396 C LEU A 28 -1.724 -4.794 -8.636 1.00 0.23 C ATOM 397 O LEU A 28 -2.526 -5.537 -9.219 1.00 0.31 O ATOM 398 CB LEU A 28 0.454 -5.886 -8.143 1.00 0.27 C ATOM 399 CG LEU A 28 1.540 -6.347 -7.171 1.00 0.43 C ATOM 400 CD1 LEU A 28 1.299 -7.759 -6.685 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.903 -6.208 -7.798 1.00 1.05 C ATOM 0 H LEU A 28 -1.147 -7.219 -6.753 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.563 -4.520 -6.864 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.193 -6.731 -8.781 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.884 -5.120 -8.789 1.00 0.27 H new ATOM 0 HG LEU A 28 1.498 -5.700 -6.295 1.00 0.43 H new ATOM 0 HD11 LEU A 28 2.093 -8.047 -5.997 1.00 1.05 H new ATOM 0 HD12 LEU A 28 0.339 -7.808 -6.172 1.00 1.05 H new ATOM 0 HD13 LEU A 28 1.291 -8.440 -7.536 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.664 -6.541 -7.092 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.953 -6.819 -8.700 1.00 1.05 H new ATOM 0 HD23 LEU A 28 3.080 -5.164 -8.057 1.00 1.05 H new ATOM 413 N ASP A 29 -1.607 -3.499 -8.841 1.00 0.24 N ATOM 414 CA ASP A 29 -2.333 -2.733 -9.858 1.00 0.31 C ATOM 415 C ASP A 29 -3.759 -2.427 -9.407 1.00 0.28 C ATOM 416 O ASP A 29 -4.584 -1.964 -10.170 1.00 0.38 O ATOM 417 CB ASP A 29 -2.289 -3.419 -11.229 1.00 0.42 C ATOM 418 CG ASP A 29 -2.668 -2.500 -12.373 1.00 0.60 C ATOM 419 OD1 ASP A 29 -1.980 -1.478 -12.576 1.00 0.72 O ATOM 420 OD2 ASP A 29 -3.628 -2.806 -13.110 1.00 0.70 O ATOM 0 H ASP A 29 -0.979 -2.918 -8.285 1.00 0.24 H new ATOM 0 HA ASP A 29 -1.823 -1.777 -9.977 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.285 -3.807 -11.401 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -2.964 -4.275 -11.221 1.00 0.42 H new ATOM 425 N LYS A 30 -4.030 -2.646 -8.132 1.00 0.19 N ATOM 426 CA LYS A 30 -5.318 -2.287 -7.590 1.00 0.20 C ATOM 427 C LYS A 30 -5.207 -0.989 -6.881 1.00 0.20 C ATOM 428 O LYS A 30 -4.434 -0.844 -5.949 1.00 0.24 O ATOM 429 CB LYS A 30 -5.889 -3.289 -6.647 1.00 0.28 C ATOM 430 CG LYS A 30 -6.221 -4.643 -7.234 1.00 0.36 C ATOM 431 CD LYS A 30 -7.386 -4.566 -8.206 1.00 0.45 C ATOM 432 CE LYS A 30 -7.668 -5.921 -8.835 1.00 0.79 C ATOM 433 NZ LYS A 30 -8.862 -5.893 -9.707 1.00 1.48 N ATOM 0 H LYS A 30 -3.382 -3.065 -7.465 1.00 0.19 H new ATOM 0 HA LYS A 30 -5.995 -2.233 -8.442 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.182 -3.433 -5.830 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.797 -2.872 -6.212 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.346 -5.041 -7.747 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.464 -5.338 -6.430 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.275 -4.212 -7.684 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.164 -3.839 -8.987 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -6.802 -6.237 -9.417 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -7.811 -6.662 -8.049 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -9.017 -6.837 -10.114 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -9.694 -5.617 -9.148 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -8.716 -5.205 -10.473 1.00 1.48 H new ATOM 447 N SER A 31 -6.012 -0.116 -7.283 1.00 0.20 N ATOM 448 CA SER A 31 -6.019 1.296 -6.905 1.00 0.34 C ATOM 449 C SER A 31 -6.649 1.584 -5.518 1.00 0.53 C ATOM 450 O SER A 31 -7.264 2.631 -5.330 1.00 1.25 O ATOM 451 CB SER A 31 -6.783 2.027 -7.980 1.00 0.36 C ATOM 452 OG SER A 31 -6.286 1.685 -9.267 1.00 0.86 O ATOM 0 H SER A 31 -6.760 -0.342 -7.938 1.00 0.20 H new ATOM 0 HA SER A 31 -4.986 1.632 -6.818 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.842 1.777 -7.915 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.699 3.103 -7.826 1.00 0.36 H new ATOM 0 HG SER A 31 -6.859 0.998 -9.667 1.00 0.86 H new ATOM 458 N PHE A 32 -6.465 0.664 -4.577 1.00 0.29 N ATOM 459 CA PHE A 32 -6.906 0.772 -3.183 1.00 0.28 C ATOM 460 C PHE A 32 -8.331 1.340 -2.993 1.00 0.26 C ATOM 461 O PHE A 32 -9.306 0.619 -3.057 1.00 0.40 O ATOM 462 CB PHE A 32 -5.892 1.539 -2.338 1.00 0.40 C ATOM 463 CG PHE A 32 -4.577 0.853 -2.062 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.474 -0.129 -1.097 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.449 1.166 -2.805 1.00 0.35 C ATOM 466 CE1 PHE A 32 -3.279 -0.771 -0.876 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.269 0.528 -2.585 1.00 0.34 C ATOM 468 CZ PHE A 32 -2.163 -0.362 -1.495 1.00 0.36 C ATOM 0 H PHE A 32 -5.985 -0.215 -4.769 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.962 -0.257 -2.828 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.683 2.486 -2.835 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.358 1.777 -1.382 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -5.341 -0.395 -0.510 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.509 1.927 -3.569 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -3.239 -1.611 -0.199 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.424 0.700 -3.235 1.00 0.34 H new ATOM 0 HZ PHE A 32 -1.195 -0.709 -1.164 1.00 0.36 H new ATOM 478 N THR A 33 -8.433 2.617 -2.796 1.00 0.28 N ATOM 479 CA THR A 33 -9.713 3.269 -2.580 1.00 0.36 C ATOM 480 C THR A 33 -10.603 3.233 -3.847 1.00 0.45 C ATOM 481 O THR A 33 -11.828 3.250 -3.753 1.00 1.06 O ATOM 482 CB THR A 33 -9.526 4.738 -2.088 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.780 5.306 -1.720 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.883 5.601 -3.151 1.00 0.78 C ATOM 0 H THR A 33 -7.634 3.251 -2.778 1.00 0.28 H new ATOM 0 HA THR A 33 -10.224 2.706 -1.799 1.00 0.36 H new ATOM 0 HB THR A 33 -8.869 4.706 -1.219 1.00 0.61 H new ATOM 0 HG1 THR A 33 -11.112 4.868 -0.909 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.768 6.617 -2.774 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.904 5.195 -3.406 1.00 0.78 H new ATOM 0 HG23 THR A 33 -9.513 5.613 -4.040 1.00 0.78 H new ATOM 492 N ASP A 34 -9.974 3.112 -5.003 1.00 0.32 N ATOM 493 CA ASP A 34 -10.692 3.145 -6.272 1.00 0.34 C ATOM 494 C ASP A 34 -11.136 1.754 -6.680 1.00 0.35 C ATOM 495 O ASP A 34 -12.312 1.515 -6.925 1.00 0.50 O ATOM 496 CB ASP A 34 -9.803 3.758 -7.361 1.00 0.38 C ATOM 497 CG ASP A 34 -10.464 3.830 -8.726 1.00 0.96 C ATOM 498 OD1 ASP A 34 -10.415 2.829 -9.482 1.00 1.74 O ATOM 499 OD2 ASP A 34 -11.091 4.861 -9.043 1.00 1.04 O ATOM 0 H ASP A 34 -8.965 2.990 -5.093 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.582 3.762 -6.147 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.512 4.763 -7.056 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -8.888 3.172 -7.442 1.00 0.38 H new ATOM 504 N ASP A 35 -10.194 0.827 -6.710 1.00 0.30 N ATOM 505 CA ASP A 35 -10.488 -0.537 -7.156 1.00 0.32 C ATOM 506 C ASP A 35 -11.080 -1.371 -6.069 1.00 0.35 C ATOM 507 O ASP A 35 -11.990 -2.143 -6.307 1.00 0.52 O ATOM 508 CB ASP A 35 -9.253 -1.273 -7.700 1.00 0.31 C ATOM 509 CG ASP A 35 -8.872 -0.930 -9.117 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.728 -1.043 -9.999 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.743 -0.466 -9.360 1.00 1.10 O ATOM 0 H ASP A 35 -9.225 0.985 -6.435 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.210 -0.410 -7.963 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.405 -1.055 -7.050 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.434 -2.346 -7.639 1.00 0.31 H new ATOM 516 N LEU A 36 -10.553 -1.235 -4.876 1.00 0.30 N ATOM 517 CA LEU A 36 -10.972 -2.074 -3.778 1.00 0.33 C ATOM 518 C LEU A 36 -12.236 -1.520 -3.135 1.00 0.39 C ATOM 519 O LEU A 36 -13.326 -2.020 -3.426 1.00 0.81 O ATOM 520 CB LEU A 36 -9.847 -2.212 -2.734 1.00 0.33 C ATOM 521 CG LEU A 36 -8.444 -2.449 -3.285 1.00 0.33 C ATOM 522 CD1 LEU A 36 -7.438 -2.631 -2.170 1.00 0.36 C ATOM 523 CD2 LEU A 36 -8.419 -3.606 -4.234 1.00 0.36 C ATOM 0 H LEU A 36 -9.833 -0.552 -4.640 1.00 0.30 H new ATOM 0 HA LEU A 36 -11.192 -3.066 -4.172 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.829 -1.306 -2.128 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -10.097 -3.037 -2.067 1.00 0.33 H new ATOM 0 HG LEU A 36 -8.157 -1.559 -3.845 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -6.449 -2.798 -2.596 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -7.419 -1.736 -1.548 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.721 -3.490 -1.562 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -7.405 -3.748 -4.608 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.744 -4.508 -3.716 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -9.089 -3.406 -5.070 1.00 0.36 H new ATOM 535 N ASP A 37 -12.078 -0.439 -2.325 1.00 0.35 N ATOM 536 CA ASP A 37 -13.201 0.192 -1.538 1.00 0.45 C ATOM 537 C ASP A 37 -12.646 1.027 -0.383 1.00 0.39 C ATOM 538 O ASP A 37 -13.337 1.874 0.177 1.00 0.87 O ATOM 539 CB ASP A 37 -14.128 -0.881 -0.916 1.00 0.79 C ATOM 540 CG ASP A 37 -15.287 -0.307 -0.134 1.00 0.90 C ATOM 541 OD1 ASP A 37 -16.221 0.237 -0.744 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.254 -0.349 1.117 1.00 0.99 O ATOM 0 H ASP A 37 -11.180 0.025 -2.192 1.00 0.35 H new ATOM 0 HA ASP A 37 -13.760 0.814 -2.237 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.518 -1.516 -1.711 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -13.539 -1.520 -0.258 1.00 0.79 H new ATOM 547 N VAL A 38 -11.386 0.779 -0.068 1.00 0.38 N ATOM 548 CA VAL A 38 -10.685 1.325 1.106 1.00 0.37 C ATOM 549 C VAL A 38 -10.892 2.834 1.288 1.00 0.48 C ATOM 550 O VAL A 38 -10.847 3.595 0.334 1.00 0.79 O ATOM 551 CB VAL A 38 -9.177 1.076 0.991 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.497 1.213 2.349 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.880 -0.263 0.356 1.00 0.43 C ATOM 0 H VAL A 38 -10.793 0.173 -0.635 1.00 0.38 H new ATOM 0 HA VAL A 38 -11.111 0.810 1.967 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.765 1.841 0.333 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.428 1.032 2.240 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.657 2.219 2.736 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.920 0.486 3.043 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.801 -0.404 0.291 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.314 -1.058 0.963 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.311 -0.295 -0.645 1.00 0.43 H new ATOM 563 N ASP A 39 -11.153 3.225 2.513 1.00 0.39 N ATOM 564 CA ASP A 39 -11.331 4.622 2.890 1.00 0.55 C ATOM 565 C ASP A 39 -10.082 5.461 2.578 1.00 0.67 C ATOM 566 O ASP A 39 -9.025 5.248 3.166 1.00 1.53 O ATOM 567 CB ASP A 39 -11.644 4.703 4.382 1.00 0.64 C ATOM 568 CG ASP A 39 -11.786 6.117 4.889 1.00 1.28 C ATOM 569 OD1 ASP A 39 -10.772 6.736 5.246 1.00 2.00 O ATOM 570 OD2 ASP A 39 -12.926 6.619 4.962 1.00 1.51 O ATOM 0 H ASP A 39 -11.251 2.577 3.294 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.157 5.028 2.306 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -12.567 4.159 4.582 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -10.852 4.203 4.939 1.00 0.64 H new ATOM 575 N SER A 40 -10.230 6.370 1.624 1.00 0.45 N ATOM 576 CA SER A 40 -9.218 7.333 1.183 1.00 0.37 C ATOM 577 C SER A 40 -8.376 7.986 2.294 1.00 0.34 C ATOM 578 O SER A 40 -7.158 8.117 2.135 1.00 0.46 O ATOM 579 CB SER A 40 -9.887 8.390 0.364 1.00 0.51 C ATOM 580 OG SER A 40 -9.006 9.496 0.110 1.00 0.78 O ATOM 0 H SER A 40 -11.104 6.464 1.107 1.00 0.45 H new ATOM 0 HA SER A 40 -8.497 6.756 0.604 1.00 0.37 H new ATOM 0 HB2 SER A 40 -10.219 7.963 -0.582 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.777 8.745 0.883 1.00 0.51 H new ATOM 585 N LEU A 41 -8.970 8.405 3.397 1.00 0.32 N ATOM 586 CA LEU A 41 -8.161 9.078 4.402 1.00 0.36 C ATOM 587 C LEU A 41 -7.402 8.067 5.244 1.00 0.33 C ATOM 588 O LEU A 41 -6.276 8.313 5.682 1.00 0.41 O ATOM 589 CB LEU A 41 -8.967 10.118 5.237 1.00 0.51 C ATOM 590 CG LEU A 41 -10.127 9.637 6.129 1.00 0.65 C ATOM 591 CD1 LEU A 41 -9.628 8.988 7.416 1.00 1.15 C ATOM 592 CD2 LEU A 41 -11.056 10.789 6.442 1.00 1.18 C ATOM 0 H LEU A 41 -9.961 8.300 3.616 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.414 9.678 3.882 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -8.258 10.643 5.877 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.373 10.852 4.541 1.00 0.51 H new ATOM 0 HG LEU A 41 -10.675 8.875 5.575 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -10.480 8.664 8.014 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -9.007 8.126 7.172 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -9.040 9.710 7.983 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -11.872 10.437 7.073 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -10.504 11.570 6.965 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -11.462 11.191 5.514 1.00 1.18 H new ATOM 604 N SER A 42 -7.994 6.907 5.408 1.00 0.31 N ATOM 605 CA SER A 42 -7.378 5.828 6.141 1.00 0.33 C ATOM 606 C SER A 42 -6.289 5.164 5.289 1.00 0.27 C ATOM 607 O SER A 42 -5.462 4.413 5.790 1.00 0.26 O ATOM 608 CB SER A 42 -8.438 4.825 6.533 1.00 0.45 C ATOM 609 OG SER A 42 -9.495 5.470 7.240 1.00 0.60 O ATOM 0 H SER A 42 -8.918 6.685 5.036 1.00 0.31 H new ATOM 0 HA SER A 42 -6.908 6.219 7.043 1.00 0.33 H new ATOM 0 HB2 SER A 42 -8.833 4.337 5.642 1.00 0.45 H new ATOM 0 HB3 SER A 42 -7.998 4.046 7.155 1.00 0.45 H new ATOM 0 HG SER A 42 -9.959 6.091 6.640 1.00 0.60 H new ATOM 615 N MET A 43 -6.297 5.470 3.995 1.00 0.27 N ATOM 616 CA MET A 43 -5.308 4.981 3.051 1.00 0.31 C ATOM 617 C MET A 43 -3.946 5.428 3.452 1.00 0.25 C ATOM 618 O MET A 43 -2.991 4.690 3.309 1.00 0.28 O ATOM 619 CB MET A 43 -5.613 5.454 1.628 1.00 0.46 C ATOM 620 CG MET A 43 -6.847 4.841 1.009 1.00 0.73 C ATOM 621 SD MET A 43 -6.587 3.281 0.159 1.00 0.86 S ATOM 622 CE MET A 43 -5.430 2.405 1.206 1.00 0.40 C ATOM 0 H MET A 43 -7.002 6.073 3.571 1.00 0.27 H new ATOM 0 HA MET A 43 -5.348 3.892 3.063 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.728 6.538 1.637 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.755 5.230 0.994 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.589 4.689 1.793 1.00 0.73 H new ATOM 0 HG3 MET A 43 -7.271 5.554 0.302 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.423 1.349 0.936 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.431 2.821 1.072 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.730 2.511 2.248 1.00 0.40 H new ATOM 632 N VAL A 44 -3.873 6.635 3.986 1.00 0.22 N ATOM 633 CA VAL A 44 -2.624 7.189 4.479 1.00 0.22 C ATOM 634 C VAL A 44 -2.054 6.266 5.586 1.00 0.21 C ATOM 635 O VAL A 44 -0.867 5.928 5.580 1.00 0.26 O ATOM 636 CB VAL A 44 -2.835 8.619 5.041 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.526 9.208 5.562 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.419 9.515 3.966 1.00 0.30 C ATOM 0 H VAL A 44 -4.675 7.257 4.090 1.00 0.22 H new ATOM 0 HA VAL A 44 -1.918 7.251 3.651 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.531 8.557 5.877 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.707 10.211 5.949 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.135 8.576 6.359 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.801 9.258 4.750 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.565 10.518 4.368 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.735 9.559 3.118 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.378 9.113 3.638 1.00 0.30 H new ATOM 648 N GLU A 45 -2.933 5.827 6.502 1.00 0.19 N ATOM 649 CA GLU A 45 -2.547 4.916 7.598 1.00 0.18 C ATOM 650 C GLU A 45 -1.996 3.632 7.008 1.00 0.20 C ATOM 651 O GLU A 45 -0.984 3.124 7.441 1.00 0.25 O ATOM 652 CB GLU A 45 -3.748 4.521 8.454 1.00 0.17 C ATOM 653 CG GLU A 45 -4.605 5.649 8.963 1.00 0.29 C ATOM 654 CD GLU A 45 -3.841 6.688 9.744 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.169 6.320 10.726 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.877 7.884 9.376 1.00 0.58 O ATOM 0 H GLU A 45 -3.919 6.088 6.507 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.813 5.440 8.210 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.378 3.849 7.870 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.385 3.953 9.311 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -5.095 6.131 8.117 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.392 5.238 9.595 1.00 0.29 H new ATOM 663 N VAL A 46 -2.681 3.148 5.976 1.00 0.19 N ATOM 664 CA VAL A 46 -2.327 1.924 5.264 1.00 0.22 C ATOM 665 C VAL A 46 -0.912 2.012 4.661 1.00 0.20 C ATOM 666 O VAL A 46 -0.235 1.018 4.519 1.00 0.23 O ATOM 667 CB VAL A 46 -3.365 1.611 4.139 1.00 0.31 C ATOM 668 CG1 VAL A 46 -3.029 0.344 3.398 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.767 1.516 4.700 1.00 0.63 C ATOM 0 H VAL A 46 -3.514 3.604 5.604 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.340 1.113 5.992 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.319 2.441 3.433 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.777 0.165 2.625 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -2.046 0.442 2.936 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.020 -0.494 4.095 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.467 1.297 3.894 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.808 0.719 5.443 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -5.037 2.463 5.168 1.00 0.63 H new ATOM 679 N VAL A 47 -0.459 3.217 4.409 1.00 0.17 N ATOM 680 CA VAL A 47 0.850 3.447 3.790 1.00 0.18 C ATOM 681 C VAL A 47 1.867 3.318 4.867 1.00 0.19 C ATOM 682 O VAL A 47 2.818 2.554 4.762 1.00 0.21 O ATOM 683 CB VAL A 47 0.974 4.874 3.204 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.298 5.036 2.482 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.165 5.190 2.281 1.00 0.54 C ATOM 0 H VAL A 47 -0.975 4.071 4.621 1.00 0.17 H new ATOM 0 HA VAL A 47 0.986 2.731 2.980 1.00 0.18 H new ATOM 0 HB VAL A 47 0.935 5.579 4.035 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.370 6.045 2.076 1.00 0.55 H new ATOM 0 HG12 VAL A 47 3.117 4.867 3.181 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.360 4.312 1.669 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.046 6.200 1.888 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.173 4.478 1.456 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.106 5.122 2.827 1.00 0.54 H new ATOM 695 N VAL A 48 1.636 4.092 5.893 1.00 0.19 N ATOM 696 CA VAL A 48 2.435 4.129 7.089 1.00 0.23 C ATOM 697 C VAL A 48 2.569 2.715 7.678 1.00 0.23 C ATOM 698 O VAL A 48 3.647 2.296 8.087 1.00 0.35 O ATOM 699 CB VAL A 48 1.750 5.094 8.104 1.00 0.31 C ATOM 700 CG1 VAL A 48 2.436 5.089 9.447 1.00 0.42 C ATOM 701 CG2 VAL A 48 1.721 6.511 7.538 1.00 0.33 C ATOM 0 H VAL A 48 0.851 4.743 5.919 1.00 0.19 H new ATOM 0 HA VAL A 48 3.439 4.490 6.865 1.00 0.23 H new ATOM 0 HB VAL A 48 0.731 4.738 8.257 1.00 0.31 H new ATOM 0 HG11 VAL A 48 1.923 5.776 10.120 1.00 0.42 H new ATOM 0 HG12 VAL A 48 2.409 4.083 9.866 1.00 0.42 H new ATOM 0 HG13 VAL A 48 3.473 5.404 9.327 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.241 7.179 8.253 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.740 6.850 7.353 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.161 6.518 6.603 1.00 0.33 H new ATOM 711 N ALA A 49 1.480 1.968 7.649 1.00 0.18 N ATOM 712 CA ALA A 49 1.455 0.654 8.187 1.00 0.18 C ATOM 713 C ALA A 49 2.198 -0.295 7.282 1.00 0.17 C ATOM 714 O ALA A 49 2.891 -1.215 7.744 1.00 0.21 O ATOM 715 CB ALA A 49 0.036 0.183 8.413 1.00 0.20 C ATOM 0 H ALA A 49 0.594 2.273 7.246 1.00 0.18 H new ATOM 0 HA ALA A 49 1.954 0.672 9.156 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.049 -0.826 8.825 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.463 0.854 9.112 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.502 0.181 7.465 1.00 0.20 H new ATOM 721 N ALA A 50 2.054 -0.062 5.983 1.00 0.16 N ATOM 722 CA ALA A 50 2.713 -0.845 4.982 1.00 0.18 C ATOM 723 C ALA A 50 4.213 -0.711 5.128 1.00 0.18 C ATOM 724 O ALA A 50 4.894 -1.689 5.427 1.00 0.21 O ATOM 725 CB ALA A 50 2.241 -0.452 3.565 1.00 0.18 C ATOM 0 H ALA A 50 1.469 0.684 5.607 1.00 0.16 H new ATOM 0 HA ALA A 50 2.448 -1.892 5.125 1.00 0.18 H new ATOM 0 HB1 ALA A 50 2.759 -1.064 2.826 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.166 -0.614 3.481 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.464 0.600 3.386 1.00 0.18 H new ATOM 731 N GLU A 51 4.723 0.495 5.014 1.00 0.18 N ATOM 732 CA GLU A 51 6.145 0.701 5.056 1.00 0.23 C ATOM 733 C GLU A 51 6.799 0.307 6.375 1.00 0.23 C ATOM 734 O GLU A 51 7.892 -0.277 6.369 1.00 0.30 O ATOM 735 CB GLU A 51 6.560 2.068 4.494 1.00 0.29 C ATOM 736 CG GLU A 51 5.824 3.319 5.012 1.00 0.31 C ATOM 737 CD GLU A 51 6.186 3.791 6.394 1.00 0.36 C ATOM 738 OE1 GLU A 51 7.054 3.167 7.026 1.00 0.51 O ATOM 739 OE2 GLU A 51 5.574 4.712 6.904 1.00 0.64 O ATOM 0 H GLU A 51 4.171 1.344 4.892 1.00 0.18 H new ATOM 0 HA GLU A 51 6.573 -0.021 4.361 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.624 2.201 4.692 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.439 2.034 3.411 1.00 0.29 H new ATOM 0 HG2 GLU A 51 6.008 4.136 4.314 1.00 0.31 H new ATOM 0 HG3 GLU A 51 4.753 3.117 4.991 1.00 0.31 H new ATOM 746 N GLU A 52 6.102 0.523 7.480 1.00 0.22 N ATOM 747 CA GLU A 52 6.609 0.123 8.775 1.00 0.26 C ATOM 748 C GLU A 52 6.727 -1.390 8.909 1.00 0.24 C ATOM 749 O GLU A 52 7.622 -1.891 9.594 1.00 0.35 O ATOM 750 CB GLU A 52 5.825 0.747 9.925 1.00 0.33 C ATOM 751 CG GLU A 52 6.184 2.204 10.156 1.00 0.46 C ATOM 752 CD GLU A 52 5.538 2.789 11.375 1.00 1.20 C ATOM 753 OE1 GLU A 52 6.096 2.655 12.488 1.00 1.50 O ATOM 754 OE2 GLU A 52 4.472 3.408 11.260 1.00 2.07 O ATOM 0 H GLU A 52 5.186 0.972 7.502 1.00 0.22 H new ATOM 0 HA GLU A 52 7.622 0.519 8.843 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.758 0.669 9.717 1.00 0.33 H new ATOM 0 HB3 GLU A 52 6.014 0.181 10.837 1.00 0.33 H new ATOM 0 HG2 GLU A 52 7.266 2.294 10.249 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.890 2.786 9.283 1.00 0.46 H new ATOM 761 N ARG A 53 5.867 -2.118 8.230 1.00 0.18 N ATOM 762 CA ARG A 53 5.945 -3.566 8.246 1.00 0.21 C ATOM 763 C ARG A 53 6.980 -4.072 7.231 1.00 0.24 C ATOM 764 O ARG A 53 7.697 -5.039 7.492 1.00 0.37 O ATOM 765 CB ARG A 53 4.566 -4.221 7.958 1.00 0.25 C ATOM 766 CG ARG A 53 4.644 -5.746 7.807 1.00 0.41 C ATOM 767 CD ARG A 53 3.314 -6.393 7.445 1.00 0.49 C ATOM 768 NE ARG A 53 3.509 -7.803 7.073 1.00 1.36 N ATOM 769 CZ ARG A 53 2.551 -8.714 6.924 1.00 1.55 C ATOM 770 NH1 ARG A 53 1.311 -8.492 7.363 1.00 1.19 N ATOM 771 NH2 ARG A 53 2.857 -9.870 6.361 1.00 2.48 N ATOM 0 H ARG A 53 5.110 -1.736 7.663 1.00 0.18 H new ATOM 0 HA ARG A 53 6.258 -3.855 9.249 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.878 -3.977 8.768 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.150 -3.792 7.046 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.378 -5.989 7.038 1.00 0.41 H new ATOM 0 HG3 ARG A 53 5.006 -6.177 8.741 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.629 -6.326 8.290 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.854 -5.853 6.617 1.00 0.49 H new ATOM 0 HE ARG A 53 4.468 -8.111 6.915 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.083 -7.611 7.823 1.00 1.19 H new ATOM 0 HH12 ARG A 53 0.591 -9.204 7.239 1.00 1.19 H new ATOM 0 HH21 ARG A 53 3.812 -10.049 6.051 1.00 2.48 H new ATOM 0 HH22 ARG A 53 2.138 -10.583 6.237 1.00 2.48 H new ATOM 785 N PHE A 54 7.072 -3.411 6.091 1.00 0.20 N ATOM 786 CA PHE A 54 7.883 -3.944 4.995 1.00 0.26 C ATOM 787 C PHE A 54 9.322 -3.535 5.055 1.00 0.37 C ATOM 788 O PHE A 54 10.123 -4.165 4.404 1.00 0.81 O ATOM 789 CB PHE A 54 7.301 -3.606 3.630 1.00 0.18 C ATOM 790 CG PHE A 54 5.852 -3.900 3.530 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.325 -4.975 4.178 1.00 0.27 C ATOM 792 CD2 PHE A 54 5.029 -3.127 2.745 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.005 -5.277 4.052 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.719 -3.430 2.605 1.00 0.29 C ATOM 795 CZ PHE A 54 3.160 -4.375 3.436 1.00 0.33 C ATOM 0 H PHE A 54 6.609 -2.523 5.895 1.00 0.20 H new ATOM 0 HA PHE A 54 7.852 -5.025 5.131 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.467 -2.549 3.422 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.834 -4.169 2.864 1.00 0.18 H new ATOM 0 HD1 PHE A 54 5.960 -5.592 4.796 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.435 -2.267 2.234 1.00 0.19 H new ATOM 0 HE1 PHE A 54 3.621 -6.213 4.430 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.120 -2.938 1.853 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.093 -4.410 3.601 1.00 0.33 H new ATOM 805 N ASP A 55 9.608 -2.459 5.808 1.00 0.23 N ATOM 806 CA ASP A 55 11.010 -1.906 6.082 1.00 0.30 C ATOM 807 C ASP A 55 11.357 -0.637 5.280 1.00 0.21 C ATOM 808 O ASP A 55 12.386 0.001 5.519 1.00 0.44 O ATOM 809 CB ASP A 55 12.144 -2.983 5.980 1.00 0.60 C ATOM 810 CG ASP A 55 13.539 -2.515 6.376 1.00 1.22 C ATOM 811 OD1 ASP A 55 13.770 -2.213 7.570 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.403 -2.340 5.490 1.00 1.99 O ATOM 0 H ASP A 55 8.878 -1.915 6.268 1.00 0.23 H new ATOM 0 HA ASP A 55 10.964 -1.599 7.127 1.00 0.30 H new ATOM 0 HB2 ASP A 55 11.873 -3.830 6.610 1.00 0.60 H new ATOM 0 HB3 ASP A 55 12.181 -3.348 4.954 1.00 0.60 H new ATOM 817 N VAL A 56 10.491 -0.220 4.381 1.00 0.17 N ATOM 818 CA VAL A 56 10.769 0.991 3.597 1.00 0.21 C ATOM 819 C VAL A 56 10.264 2.239 4.373 1.00 0.20 C ATOM 820 O VAL A 56 9.641 2.100 5.421 1.00 0.21 O ATOM 821 CB VAL A 56 10.136 0.913 2.157 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.646 0.971 2.215 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.673 1.971 1.201 1.00 0.37 C ATOM 0 H VAL A 56 9.606 -0.680 4.169 1.00 0.17 H new ATOM 0 HA VAL A 56 11.847 1.074 3.457 1.00 0.21 H new ATOM 0 HB VAL A 56 10.438 -0.054 1.755 1.00 0.27 H new ATOM 0 HG11 VAL A 56 8.240 0.915 1.205 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.272 0.133 2.803 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.336 1.907 2.679 1.00 0.29 H new ATOM 0 HG21 VAL A 56 10.194 1.859 0.228 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.459 2.963 1.599 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.751 1.849 1.091 1.00 0.37 H new ATOM 833 N LYS A 57 10.554 3.422 3.889 1.00 0.25 N ATOM 834 CA LYS A 57 10.034 4.641 4.468 1.00 0.25 C ATOM 835 C LYS A 57 9.368 5.423 3.347 1.00 0.22 C ATOM 836 O LYS A 57 10.020 5.765 2.360 1.00 0.28 O ATOM 837 CB LYS A 57 11.178 5.465 5.095 1.00 0.33 C ATOM 838 CG LYS A 57 10.775 6.738 5.876 1.00 0.44 C ATOM 839 CD LYS A 57 10.173 6.445 7.264 1.00 0.89 C ATOM 840 CE LYS A 57 8.826 5.775 7.189 1.00 1.46 C ATOM 841 NZ LYS A 57 8.296 5.397 8.508 1.00 2.12 N ATOM 0 H LYS A 57 11.158 3.569 3.081 1.00 0.25 H new ATOM 0 HA LYS A 57 9.317 4.419 5.259 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.735 4.815 5.770 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.862 5.758 4.298 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.652 7.373 5.996 1.00 0.44 H new ATOM 0 HG3 LYS A 57 10.052 7.302 5.287 1.00 0.44 H new ATOM 0 HD2 LYS A 57 10.858 5.810 7.825 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.078 7.379 7.818 1.00 0.89 H new ATOM 0 HE2 LYS A 57 8.120 6.445 6.699 1.00 1.46 H new ATOM 0 HE3 LYS A 57 8.904 4.884 6.566 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 7.751 4.515 8.423 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 9.084 5.255 9.171 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 7.677 6.154 8.863 1.00 2.12 H new ATOM 855 N ILE A 58 8.081 5.667 3.466 1.00 0.20 N ATOM 856 CA ILE A 58 7.347 6.335 2.404 1.00 0.19 C ATOM 857 C ILE A 58 6.904 7.731 2.841 1.00 0.21 C ATOM 858 O ILE A 58 6.091 7.867 3.764 1.00 0.25 O ATOM 859 CB ILE A 58 6.104 5.507 1.964 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.532 4.083 1.580 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.395 6.186 0.790 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.397 3.165 1.197 1.00 0.24 C ATOM 0 H ILE A 58 7.521 5.416 4.281 1.00 0.20 H new ATOM 0 HA ILE A 58 8.023 6.425 1.554 1.00 0.19 H new ATOM 0 HB ILE A 58 5.406 5.452 2.799 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.232 4.141 0.746 1.00 0.22 H new ATOM 0 HG13 ILE A 58 7.071 3.642 2.418 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.529 5.593 0.496 1.00 0.20 H new ATOM 0 HG22 ILE A 58 5.069 7.182 1.089 1.00 0.20 H new ATOM 0 HG23 ILE A 58 6.082 6.267 -0.052 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.794 2.182 0.942 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.707 3.071 2.035 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.870 3.578 0.337 1.00 0.24 H new ATOM 874 N PRO A 59 7.447 8.777 2.203 1.00 0.23 N ATOM 875 CA PRO A 59 7.083 10.175 2.479 1.00 0.28 C ATOM 876 C PRO A 59 5.698 10.495 1.930 1.00 0.24 C ATOM 877 O PRO A 59 5.193 9.764 1.075 1.00 0.21 O ATOM 878 CB PRO A 59 8.125 10.954 1.691 1.00 0.33 C ATOM 879 CG PRO A 59 8.435 10.058 0.556 1.00 0.30 C ATOM 880 CD PRO A 59 8.470 8.689 1.146 1.00 0.25 C ATOM 0 HA PRO A 59 7.059 10.403 3.545 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.737 11.914 1.351 1.00 0.33 H new ATOM 0 HB3 PRO A 59 9.010 11.163 2.292 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.678 10.133 -0.224 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.390 10.316 0.099 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.229 7.922 0.410 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.453 8.445 1.550 1.00 0.25 H new ATOM 888 N ASP A 60 5.119 11.605 2.375 1.00 0.30 N ATOM 889 CA ASP A 60 3.757 12.018 1.972 1.00 0.34 C ATOM 890 C ASP A 60 3.653 12.157 0.464 1.00 0.31 C ATOM 891 O ASP A 60 2.660 11.752 -0.141 1.00 0.36 O ATOM 892 CB ASP A 60 3.377 13.335 2.638 1.00 0.51 C ATOM 893 CG ASP A 60 1.943 13.754 2.380 1.00 1.25 C ATOM 894 OD1 ASP A 60 1.031 13.360 3.152 1.00 1.98 O ATOM 895 OD2 ASP A 60 1.694 14.450 1.378 1.00 1.92 O ATOM 0 H ASP A 60 5.570 12.250 3.024 1.00 0.30 H new ATOM 0 HA ASP A 60 3.065 11.241 2.298 1.00 0.34 H new ATOM 0 HB2 ASP A 60 3.533 13.247 3.713 1.00 0.51 H new ATOM 0 HB3 ASP A 60 4.045 14.119 2.282 1.00 0.51 H new ATOM 900 N ASP A 61 4.710 12.681 -0.142 1.00 0.30 N ATOM 901 CA ASP A 61 4.771 12.840 -1.598 1.00 0.37 C ATOM 902 C ASP A 61 4.689 11.517 -2.302 1.00 0.33 C ATOM 903 O ASP A 61 4.140 11.424 -3.370 1.00 0.46 O ATOM 904 CB ASP A 61 6.024 13.572 -2.064 1.00 0.50 C ATOM 905 CG ASP A 61 5.971 15.056 -1.877 1.00 1.16 C ATOM 906 OD1 ASP A 61 5.350 15.761 -2.713 1.00 1.16 O ATOM 907 OD2 ASP A 61 6.500 15.550 -0.856 1.00 2.06 O ATOM 0 H ASP A 61 5.542 13.006 0.350 1.00 0.30 H new ATOM 0 HA ASP A 61 3.905 13.448 -1.859 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.884 13.179 -1.522 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.187 13.355 -3.120 1.00 0.50 H new ATOM 912 N ASP A 62 5.249 10.498 -1.721 1.00 0.25 N ATOM 913 CA ASP A 62 5.169 9.197 -2.332 1.00 0.25 C ATOM 914 C ASP A 62 3.934 8.437 -1.944 1.00 0.23 C ATOM 915 O ASP A 62 3.493 7.568 -2.679 1.00 0.28 O ATOM 916 CB ASP A 62 6.438 8.395 -2.222 1.00 0.26 C ATOM 917 CG ASP A 62 7.488 8.923 -3.166 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.423 8.649 -4.376 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.414 9.629 -2.708 1.00 0.44 O ATOM 0 H ASP A 62 5.759 10.536 -0.839 1.00 0.25 H new ATOM 0 HA ASP A 62 5.062 9.388 -3.400 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.810 8.434 -1.198 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.233 7.348 -2.447 1.00 0.26 H new ATOM 924 N VAL A 63 3.361 8.777 -0.790 1.00 0.22 N ATOM 925 CA VAL A 63 2.074 8.233 -0.351 1.00 0.26 C ATOM 926 C VAL A 63 1.039 8.521 -1.442 1.00 0.29 C ATOM 927 O VAL A 63 0.299 7.638 -1.869 1.00 0.38 O ATOM 928 CB VAL A 63 1.624 8.910 0.995 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.219 8.509 1.387 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.572 8.561 2.122 1.00 0.27 C ATOM 0 H VAL A 63 3.775 9.437 -0.132 1.00 0.22 H new ATOM 0 HA VAL A 63 2.164 7.160 -0.182 1.00 0.26 H new ATOM 0 HB VAL A 63 1.643 9.986 0.823 1.00 0.27 H new ATOM 0 HG11 VAL A 63 -0.052 8.999 2.322 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.477 8.811 0.604 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.172 7.428 1.517 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.237 9.042 3.041 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.587 7.480 2.263 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.575 8.909 1.875 1.00 0.27 H new ATOM 940 N LYS A 64 1.059 9.750 -1.926 1.00 0.27 N ATOM 941 CA LYS A 64 0.129 10.201 -2.960 1.00 0.34 C ATOM 942 C LYS A 64 0.499 9.636 -4.354 1.00 0.32 C ATOM 943 O LYS A 64 -0.279 9.732 -5.296 1.00 0.38 O ATOM 944 CB LYS A 64 0.076 11.739 -2.979 1.00 0.44 C ATOM 945 CG LYS A 64 1.358 12.383 -3.469 1.00 0.83 C ATOM 946 CD LYS A 64 1.516 13.832 -3.038 1.00 0.73 C ATOM 947 CE LYS A 64 0.406 14.733 -3.539 1.00 1.59 C ATOM 948 NZ LYS A 64 0.653 16.133 -3.145 1.00 2.16 N ATOM 0 H LYS A 64 1.717 10.466 -1.618 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.862 9.817 -2.718 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -0.748 12.058 -3.617 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.141 12.099 -1.973 1.00 0.44 H new ATOM 0 HG2 LYS A 64 2.207 11.808 -3.100 1.00 0.83 H new ATOM 0 HG3 LYS A 64 1.387 12.331 -4.557 1.00 0.83 H new ATOM 0 HD2 LYS A 64 1.548 13.878 -1.949 1.00 0.73 H new ATOM 0 HD3 LYS A 64 2.472 14.209 -3.401 1.00 0.73 H new ATOM 0 HE2 LYS A 64 0.336 14.662 -4.624 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -0.550 14.400 -3.135 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -0.119 16.734 -3.498 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 0.697 16.199 -2.108 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 1.555 16.454 -3.551 1.00 2.16 H new ATOM 962 N ASN A 65 1.675 9.026 -4.469 1.00 0.26 N ATOM 963 CA ASN A 65 2.132 8.463 -5.723 1.00 0.29 C ATOM 964 C ASN A 65 1.727 7.036 -5.822 1.00 0.28 C ATOM 965 O ASN A 65 1.815 6.414 -6.893 1.00 0.42 O ATOM 966 CB ASN A 65 3.641 8.530 -5.849 1.00 0.36 C ATOM 967 CG ASN A 65 4.182 9.920 -6.095 1.00 0.90 C ATOM 968 OD1 ASN A 65 3.502 10.775 -6.676 1.00 1.59 O ATOM 969 ND2 ASN A 65 5.411 10.158 -5.698 1.00 1.43 N ATOM 0 H ASN A 65 2.331 8.911 -3.696 1.00 0.26 H new ATOM 0 HA ASN A 65 1.678 9.050 -6.521 1.00 0.29 H new ATOM 0 HB2 ASN A 65 4.088 8.135 -4.937 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.955 7.880 -6.666 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.833 11.071 -5.866 1.00 1.43 H new ATOM 0 HD22 ASN A 65 5.943 9.430 -5.222 1.00 1.43 H new ATOM 976 N LEU A 66 1.313 6.490 -4.724 1.00 0.21 N ATOM 977 CA LEU A 66 0.898 5.148 -4.698 1.00 0.23 C ATOM 978 C LEU A 66 -0.595 5.145 -4.845 1.00 0.25 C ATOM 979 O LEU A 66 -1.308 5.622 -3.986 1.00 0.31 O ATOM 980 CB LEU A 66 1.338 4.456 -3.396 1.00 0.22 C ATOM 981 CG LEU A 66 2.825 4.601 -3.011 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.176 3.729 -1.815 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.740 4.309 -4.186 1.00 0.23 C ATOM 0 H LEU A 66 1.258 6.972 -3.827 1.00 0.21 H new ATOM 0 HA LEU A 66 1.359 4.587 -5.511 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.734 4.850 -2.579 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.109 3.394 -3.479 1.00 0.22 H new ATOM 0 HG LEU A 66 2.982 5.641 -2.724 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.231 3.855 -1.570 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.567 4.022 -0.960 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.982 2.684 -2.057 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.779 4.422 -3.875 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.573 3.289 -4.532 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.526 5.006 -4.996 1.00 0.23 H new ATOM 995 N LYS A 67 -1.052 4.703 -5.966 1.00 0.28 N ATOM 996 CA LYS A 67 -2.475 4.649 -6.211 1.00 0.34 C ATOM 997 C LYS A 67 -2.892 3.240 -6.124 1.00 0.30 C ATOM 998 O LYS A 67 -3.876 2.906 -5.498 1.00 0.38 O ATOM 999 CB LYS A 67 -2.888 5.237 -7.583 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.646 6.740 -7.756 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.174 7.105 -7.849 1.00 1.26 C ATOM 1002 CE LYS A 67 -0.568 6.900 -9.244 1.00 1.83 C ATOM 1003 NZ LYS A 67 -0.683 5.524 -9.791 1.00 2.55 N ATOM 0 H LYS A 67 -0.471 4.371 -6.736 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.971 5.265 -5.461 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -2.344 4.707 -8.365 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -3.948 5.037 -7.740 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -3.156 7.082 -8.657 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -3.093 7.272 -6.916 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -1.050 8.149 -7.560 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.615 6.506 -7.130 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -1.051 7.590 -9.936 1.00 1.83 H new ATOM 0 HE3 LYS A 67 0.487 7.171 -9.207 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 0.043 5.379 -10.522 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 -0.546 4.834 -9.025 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -1.626 5.395 -10.210 1.00 2.55 H new ATOM 1017 N THR A 68 -2.122 2.403 -6.745 1.00 0.23 N ATOM 1018 CA THR A 68 -2.370 1.043 -6.711 1.00 0.19 C ATOM 1019 C THR A 68 -1.417 0.402 -5.750 1.00 0.18 C ATOM 1020 O THR A 68 -0.438 1.034 -5.308 1.00 0.20 O ATOM 1021 CB THR A 68 -2.180 0.404 -8.094 1.00 0.18 C ATOM 1022 OG1 THR A 68 -0.819 0.564 -8.508 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.078 1.048 -9.129 1.00 0.22 C ATOM 0 H THR A 68 -1.302 2.673 -7.288 1.00 0.23 H new ATOM 0 HA THR A 68 -3.403 0.890 -6.399 1.00 0.19 H new ATOM 0 HB THR A 68 -2.439 -0.652 -8.014 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.621 1.517 -8.618 1.00 0.21 H new ATOM 0 HG21 THR A 68 -2.918 0.572 -10.096 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.120 0.927 -8.833 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.843 2.110 -9.204 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.636 -0.860 -5.446 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.691 -1.567 -4.654 1.00 0.18 C ATOM 1033 C VAL A 69 0.447 -1.982 -5.532 1.00 0.15 C ATOM 1034 O VAL A 69 1.520 -2.314 -5.075 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.302 -2.710 -3.777 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.773 -2.854 -4.058 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.566 -4.055 -3.887 1.00 1.21 C ATOM 0 H VAL A 69 -2.452 -1.398 -5.737 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.304 -0.896 -3.887 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.165 -2.405 -2.739 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -3.185 -3.653 -3.441 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.281 -1.918 -3.826 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.920 -3.096 -5.111 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.055 -4.790 -3.248 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.590 -4.400 -4.921 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.470 -3.930 -3.570 1.00 1.21 H new ATOM 1047 N GLY A 70 0.211 -1.855 -6.831 1.00 0.14 N ATOM 1048 CA GLY A 70 1.257 -2.089 -7.781 1.00 0.16 C ATOM 1049 C GLY A 70 2.292 -1.006 -7.632 1.00 0.19 C ATOM 1050 O GLY A 70 3.480 -1.286 -7.512 1.00 0.33 O ATOM 0 H GLY A 70 -0.689 -1.594 -7.234 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.707 -3.068 -7.615 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.855 -2.091 -8.794 1.00 0.16 H new ATOM 1054 N ASP A 71 1.805 0.237 -7.566 1.00 0.17 N ATOM 1055 CA ASP A 71 2.646 1.405 -7.306 1.00 0.20 C ATOM 1056 C ASP A 71 3.311 1.240 -5.982 1.00 0.17 C ATOM 1057 O ASP A 71 4.525 1.366 -5.880 1.00 0.20 O ATOM 1058 CB ASP A 71 1.837 2.709 -7.198 1.00 0.32 C ATOM 1059 CG ASP A 71 1.146 3.175 -8.434 1.00 0.87 C ATOM 1060 OD1 ASP A 71 1.821 3.569 -9.396 1.00 1.28 O ATOM 1061 OD2 ASP A 71 -0.105 3.226 -8.437 1.00 1.39 O ATOM 0 H ASP A 71 0.818 0.460 -7.691 1.00 0.17 H new ATOM 0 HA ASP A 71 3.345 1.471 -8.140 1.00 0.20 H new ATOM 0 HB2 ASP A 71 1.087 2.580 -6.418 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.510 3.500 -6.866 1.00 0.32 H new ATOM 1066 N ALA A 72 2.484 0.962 -4.961 1.00 0.15 N ATOM 1067 CA ALA A 72 2.936 0.836 -3.584 1.00 0.13 C ATOM 1068 C ALA A 72 4.061 -0.113 -3.472 1.00 0.12 C ATOM 1069 O ALA A 72 5.150 0.269 -3.132 1.00 0.14 O ATOM 1070 CB ALA A 72 1.804 0.321 -2.702 1.00 0.13 C ATOM 0 H ALA A 72 1.481 0.819 -5.078 1.00 0.15 H new ATOM 0 HA ALA A 72 3.258 1.826 -3.261 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.156 0.231 -1.674 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.967 1.019 -2.740 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.479 -0.656 -3.061 1.00 0.13 H new ATOM 1076 N THR A 73 3.798 -1.321 -3.837 1.00 0.11 N ATOM 1077 CA THR A 73 4.734 -2.394 -3.713 1.00 0.13 C ATOM 1078 C THR A 73 6.067 -2.122 -4.408 1.00 0.16 C ATOM 1079 O THR A 73 7.131 -2.277 -3.798 1.00 0.24 O ATOM 1080 CB THR A 73 4.134 -3.682 -4.227 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.908 -3.928 -3.539 1.00 0.15 O ATOM 1082 CG2 THR A 73 5.077 -4.805 -3.966 1.00 0.17 C ATOM 0 H THR A 73 2.904 -1.601 -4.241 1.00 0.11 H new ATOM 0 HA THR A 73 4.951 -2.486 -2.649 1.00 0.13 H new ATOM 0 HB THR A 73 3.950 -3.603 -5.298 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.257 -3.233 -3.771 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.646 -5.735 -4.336 1.00 0.17 H new ATOM 0 HG22 THR A 73 6.021 -4.614 -4.477 1.00 0.17 H new ATOM 0 HG23 THR A 73 5.255 -4.889 -2.894 1.00 0.17 H new ATOM 1090 N LYS A 74 5.997 -1.724 -5.661 1.00 0.17 N ATOM 1091 CA LYS A 74 7.148 -1.424 -6.455 1.00 0.20 C ATOM 1092 C LYS A 74 7.927 -0.306 -5.834 1.00 0.23 C ATOM 1093 O LYS A 74 9.132 -0.275 -5.909 1.00 0.45 O ATOM 1094 CB LYS A 74 6.702 -1.022 -7.835 1.00 0.25 C ATOM 1095 CG LYS A 74 6.635 -2.146 -8.871 1.00 0.98 C ATOM 1096 CD LYS A 74 5.742 -3.311 -8.472 1.00 2.21 C ATOM 1097 CE LYS A 74 5.636 -4.329 -9.603 1.00 2.92 C ATOM 1098 NZ LYS A 74 4.912 -3.778 -10.776 1.00 3.63 N ATOM 0 H LYS A 74 5.115 -1.600 -6.158 1.00 0.17 H new ATOM 0 HA LYS A 74 7.786 -2.306 -6.513 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.715 -0.566 -7.758 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.380 -0.253 -8.205 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.276 -1.734 -9.814 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.643 -2.520 -9.050 1.00 0.98 H new ATOM 0 HD2 LYS A 74 6.143 -3.793 -7.580 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.749 -2.942 -8.216 1.00 2.21 H new ATOM 0 HE2 LYS A 74 6.636 -4.640 -9.906 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.120 -5.219 -9.243 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 4.608 -4.557 -11.394 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 4.078 -3.248 -10.452 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 5.542 -3.142 -11.306 1.00 3.63 H new ATOM 1112 N TYR A 75 7.232 0.607 -5.220 1.00 0.16 N ATOM 1113 CA TYR A 75 7.866 1.680 -4.545 1.00 0.16 C ATOM 1114 C TYR A 75 8.556 1.167 -3.307 1.00 0.16 C ATOM 1115 O TYR A 75 9.750 1.362 -3.131 1.00 0.19 O ATOM 1116 CB TYR A 75 6.864 2.736 -4.144 1.00 0.16 C ATOM 1117 CG TYR A 75 7.522 3.882 -3.425 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.359 4.761 -4.085 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.353 4.034 -2.067 1.00 0.21 C ATOM 1120 CE1 TYR A 75 9.017 5.755 -3.398 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.989 5.028 -1.383 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.827 5.883 -2.043 1.00 0.28 C ATOM 1123 OH TYR A 75 9.499 6.862 -1.342 1.00 0.40 O ATOM 0 H TYR A 75 6.213 0.621 -5.178 1.00 0.16 H new ATOM 0 HA TYR A 75 8.593 2.123 -5.225 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.353 3.109 -5.032 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.104 2.291 -3.502 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.498 4.667 -5.152 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.705 3.354 -1.534 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.679 6.430 -3.920 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.831 5.140 -0.321 1.00 0.26 H new ATOM 0 HH TYR A 75 9.664 7.630 -1.929 1.00 0.40 H new ATOM 1133 N ILE A 76 7.773 0.513 -2.468 1.00 0.14 N ATOM 1134 CA ILE A 76 8.201 -0.032 -1.198 1.00 0.16 C ATOM 1135 C ILE A 76 9.453 -0.863 -1.362 1.00 0.17 C ATOM 1136 O ILE A 76 10.500 -0.456 -0.925 1.00 0.21 O ATOM 1137 CB ILE A 76 7.065 -0.920 -0.630 1.00 0.15 C ATOM 1138 CG1 ILE A 76 5.879 -0.066 -0.273 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.511 -1.704 0.590 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.612 -0.853 -0.179 1.00 0.13 C ATOM 0 H ILE A 76 6.786 0.342 -2.662 1.00 0.14 H new ATOM 0 HA ILE A 76 8.422 0.789 -0.516 1.00 0.16 H new ATOM 0 HB ILE A 76 6.791 -1.636 -1.405 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.066 0.429 0.680 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.761 0.717 -1.022 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.683 -2.312 0.954 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.346 -2.351 0.321 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.825 -1.013 1.372 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.789 -0.188 0.081 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.406 -1.327 -1.139 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.716 -1.619 0.589 1.00 0.13 H new ATOM 1152 N LEU A 77 9.325 -1.976 -2.065 1.00 0.17 N ATOM 1153 CA LEU A 77 10.381 -2.961 -2.262 1.00 0.20 C ATOM 1154 C LEU A 77 11.628 -2.286 -2.789 1.00 0.22 C ATOM 1155 O LEU A 77 12.692 -2.340 -2.173 1.00 0.29 O ATOM 1156 CB LEU A 77 9.870 -3.938 -3.324 1.00 0.23 C ATOM 1157 CG LEU A 77 10.544 -5.301 -3.540 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.843 -5.950 -4.684 1.00 1.08 C ATOM 1159 CD2 LEU A 77 12.035 -5.214 -3.850 1.00 1.44 C ATOM 0 H LEU A 77 8.454 -2.229 -2.531 1.00 0.17 H new ATOM 0 HA LEU A 77 10.623 -3.461 -1.324 1.00 0.20 H new ATOM 0 HB2 LEU A 77 8.822 -4.133 -3.099 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.899 -3.414 -4.279 1.00 0.23 H new ATOM 0 HG LEU A 77 10.468 -5.869 -2.613 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.288 -6.926 -4.877 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.788 -6.074 -4.441 1.00 1.08 H new ATOM 0 HD13 LEU A 77 9.940 -5.325 -5.572 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.437 -6.218 -3.989 1.00 1.44 H new ATOM 0 HD22 LEU A 77 12.184 -4.634 -4.761 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.551 -4.728 -3.022 1.00 1.44 H new ATOM 1171 N ASP A 78 11.446 -1.580 -3.867 1.00 0.22 N ATOM 1172 CA ASP A 78 12.547 -1.045 -4.640 1.00 0.29 C ATOM 1173 C ASP A 78 13.262 0.089 -3.909 1.00 0.30 C ATOM 1174 O ASP A 78 14.452 0.330 -4.115 1.00 0.36 O ATOM 1175 CB ASP A 78 12.037 -0.649 -6.041 1.00 0.45 C ATOM 1176 CG ASP A 78 13.086 -0.053 -6.959 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.327 1.174 -6.878 1.00 0.59 O ATOM 1178 OD2 ASP A 78 13.709 -0.782 -7.750 1.00 0.63 O ATOM 0 H ASP A 78 10.525 -1.353 -4.243 1.00 0.22 H new ATOM 0 HA ASP A 78 13.308 -1.815 -4.768 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.615 -1.532 -6.521 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.225 0.070 -5.926 1.00 0.45 H new ATOM 1183 N HIS A 79 12.551 0.736 -3.010 1.00 0.29 N ATOM 1184 CA HIS A 79 13.119 1.815 -2.220 1.00 0.36 C ATOM 1185 C HIS A 79 13.658 1.358 -0.869 1.00 0.42 C ATOM 1186 O HIS A 79 14.230 2.161 -0.122 1.00 0.58 O ATOM 1187 CB HIS A 79 12.151 2.975 -2.056 1.00 0.38 C ATOM 1188 CG HIS A 79 12.150 3.923 -3.208 1.00 0.61 C ATOM 1189 ND1 HIS A 79 12.561 5.225 -3.088 1.00 0.99 N ATOM 1190 CD2 HIS A 79 11.781 3.767 -4.499 1.00 0.87 C ATOM 1191 CE1 HIS A 79 12.448 5.833 -4.240 1.00 1.25 C ATOM 1192 NE2 HIS A 79 11.976 4.976 -5.121 1.00 1.18 N ATOM 0 H HIS A 79 11.572 0.534 -2.805 1.00 0.29 H new ATOM 0 HA HIS A 79 13.976 2.170 -2.792 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.144 2.580 -1.921 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.403 3.522 -1.147 1.00 0.38 H new ATOM 0 HD2 HIS A 79 11.404 2.863 -4.955 1.00 0.87 H new ATOM 0 HE1 HIS A 79 12.700 6.865 -4.436 1.00 1.25 H new ATOM 0 HE2 HIS A 79 11.786 5.177 -6.103 1.00 1.18 H new ATOM 1201 N GLN A 80 13.468 0.097 -0.528 1.00 0.39 N ATOM 1202 CA GLN A 80 14.091 -0.413 0.697 1.00 0.49 C ATOM 1203 C GLN A 80 15.274 -1.232 0.383 1.00 0.58 C ATOM 1204 O GLN A 80 16.376 -0.994 0.849 1.00 0.83 O ATOM 1205 CB GLN A 80 13.157 -1.194 1.619 1.00 0.67 C ATOM 1206 CG GLN A 80 12.060 -1.975 0.962 1.00 0.52 C ATOM 1207 CD GLN A 80 11.506 -3.022 1.840 1.00 0.57 C ATOM 1208 OE1 GLN A 80 12.191 -3.545 2.678 1.00 0.87 O ATOM 1209 NE2 GLN A 80 10.276 -3.366 1.641 1.00 0.56 N ATOM 0 H GLN A 80 12.911 -0.577 -1.053 1.00 0.39 H new ATOM 0 HA GLN A 80 14.381 0.481 1.250 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.760 -1.885 2.208 1.00 0.67 H new ATOM 0 HB3 GLN A 80 12.703 -0.491 2.318 1.00 0.67 H new ATOM 0 HG2 GLN A 80 11.262 -1.295 0.666 1.00 0.52 H new ATOM 0 HG3 GLN A 80 12.442 -2.435 0.050 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.726 -2.899 0.920 1.00 0.56 H new ATOM 0 HE22 GLN A 80 9.855 -4.105 2.205 1.00 0.56 H new ATOM 1218 N ALA A 81 15.023 -2.167 -0.397 1.00 0.71 N ATOM 1219 CA ALA A 81 15.973 -3.125 -0.822 1.00 1.01 C ATOM 1220 C ALA A 81 16.893 -2.536 -1.884 1.00 1.44 C ATOM 1221 O ALA A 81 17.987 -2.066 -1.529 1.00 1.97 O ATOM 1222 CB ALA A 81 15.230 -4.340 -1.309 1.00 1.30 C ATOM 1223 OXT ALA A 81 16.515 -2.482 -3.073 1.00 1.97 O ATOM 0 H ALA A 81 14.096 -2.316 -0.796 1.00 0.71 H new ATOM 0 HA ALA A 81 16.618 -3.420 0.006 1.00 1.01 H new ATOM 0 HB1 ALA A 81 15.944 -5.093 -1.642 1.00 1.30 H new ATOM 0 HB2 ALA A 81 14.626 -4.746 -0.498 1.00 1.30 H new ATOM 0 HB3 ALA A 81 14.582 -4.061 -2.140 1.00 1.30 H new TER 1229 ALA A 81 HETATM 1230 C1 SYO A 101 -2.905 7.021 0.280 1.00 0.56 C HETATM 1231 S1 SYO A 101 -3.664 8.686 0.419 1.00 0.76 S HETATM 1232 C2 SYO A 101 -2.868 6.429 -1.118 1.00 0.69 C HETATM 1233 C3 SYO A 101 -2.787 4.916 -1.107 1.00 0.54 C HETATM 1234 O3 SYO A 101 -3.800 4.241 -0.962 1.00 0.86 O HETATM 1235 C4 SYO A 101 -1.455 4.258 -1.274 1.00 0.47 C HETATM 1236 C5 SYO A 101 -1.234 3.127 -0.307 1.00 0.58 C HETATM 1237 C6 SYO A 101 0.221 2.782 -0.245 1.00 0.57 C HETATM 1238 C7 SYO A 101 0.493 1.657 0.707 1.00 0.49 C HETATM 1239 C8 SYO A 101 1.977 1.442 0.774 1.00 0.47 C HETATM 1240 O23 SYO A 101 -11.114 10.804 0.186 1.00 1.37 O HETATM 1241 P24 SYO A 101 -9.669 10.869 -0.151 1.00 0.96 P HETATM 1242 O26 SYO A 101 -8.849 11.917 0.518 1.00 1.27 O HETATM 1243 O27 SYO A 101 -9.528 11.021 -1.698 1.00 1.04 O HETATM 1244 C28 SYO A 101 -8.166 11.005 -2.266 1.00 0.84 C HETATM 1245 C29 SYO A 101 -8.207 11.147 -3.808 1.00 0.82 C HETATM 1246 C30 SYO A 101 -9.157 12.264 -4.114 1.00 1.03 C HETATM 1247 C31 SYO A 101 -6.815 11.508 -4.356 1.00 0.73 C HETATM 1248 C32 SYO A 101 -8.736 9.804 -4.496 1.00 0.93 C HETATM 1249 O33 SYO A 101 -9.236 10.045 -5.816 1.00 1.10 O HETATM 1250 C34 SYO A 101 -7.680 8.710 -4.572 1.00 0.83 C HETATM 1251 O35 SYO A 101 -7.512 8.096 -5.627 1.00 0.96 O HETATM 1252 N36 SYO A 101 -7.002 8.480 -3.496 1.00 0.71 N HETATM 1253 C37 SYO A 101 -5.934 7.475 -3.353 1.00 0.70 C HETATM 1254 C38 SYO A 101 -4.670 7.825 -4.166 1.00 0.66 C HETATM 1255 C39 SYO A 101 -3.937 9.076 -3.725 1.00 0.47 C HETATM 1256 O40 SYO A 101 -3.448 9.866 -4.537 1.00 0.53 O HETATM 1257 N41 SYO A 101 -3.871 9.227 -2.436 1.00 0.38 N HETATM 1258 C42 SYO A 101 -3.231 10.299 -1.754 1.00 0.43 C HETATM 1259 C43 SYO A 101 -2.554 9.752 -0.528 1.00 0.71 C HETATM 0 HO33 SYO A 101 -8.694 9.551 -6.466 1.00 1.10 H new HETATM 0 HN41 SYO A 101 -4.318 8.513 -1.862 1.00 0.38 H new HETATM 0 HN36 SYO A 101 -7.225 9.043 -2.675 1.00 0.71 H new HETATM 0 H43A SYO A 101 -2.215 10.576 0.100 1.00 0.71 H new HETATM 0 H42A SYO A 101 -2.502 10.780 -2.406 1.00 0.43 H new HETATM 0 H38A SYO A 101 -3.980 6.983 -4.113 1.00 0.66 H new HETATM 0 H37A SYO A 101 -5.669 7.381 -2.300 1.00 0.70 H new HETATM 0 H31B SYO A 101 -6.488 12.453 -3.923 1.00 0.73 H new HETATM 0 H31A SYO A 101 -6.106 10.723 -4.093 1.00 0.73 H new HETATM 0 H30B SYO A 101 -10.144 12.020 -3.721 1.00 1.03 H new HETATM 0 H30A SYO A 101 -8.799 13.183 -3.650 1.00 1.03 H new HETATM 0 H28A SYO A 101 -7.580 11.818 -1.838 1.00 0.84 H new HETATM 0 H8B SYO A 101 2.353 1.191 -0.218 1.00 0.47 H new HETATM 0 H8A SYO A 101 2.461 2.353 1.126 1.00 0.47 H new HETATM 0 H8 SYO A 101 2.196 0.626 1.463 1.00 0.47 H new HETATM 0 H7A SYO A 101 0.099 1.893 1.695 1.00 0.49 H new HETATM 0 H7 SYO A 101 -0.007 0.748 0.373 1.00 0.49 H new HETATM 0 H6A SYO A 101 0.571 2.507 -1.240 1.00 0.57 H new HETATM 0 H6 SYO A 101 0.789 3.661 0.061 1.00 0.57 H new HETATM 0 H5A SYO A 101 -1.591 3.409 0.683 1.00 0.58 H new HETATM 0 H5 SYO A 101 -1.810 2.255 -0.617 1.00 0.58 H new HETATM 0 H4A SYO A 101 -1.367 3.880 -2.293 1.00 0.47 H new HETATM 0 H43 SYO A 101 -1.668 9.189 -0.821 1.00 0.71 H new HETATM 0 H42 SYO A 101 -3.961 11.059 -1.476 1.00 0.43 H new HETATM 0 H4 SYO A 101 -0.669 5.002 -1.141 1.00 0.47 H new HETATM 0 H38 SYO A 101 -4.952 7.940 -5.212 1.00 0.66 H new HETATM 0 H37 SYO A 101 -6.310 6.504 -3.675 1.00 0.70 H new HETATM 0 H32 SYO A 101 -9.542 9.458 -3.849 1.00 0.93 H new HETATM 0 H31 SYO A 101 -6.864 11.603 -5.441 1.00 0.73 H new HETATM 0 H30 SYO A 101 -9.220 12.403 -5.193 1.00 1.03 H new HETATM 0 H2A SYO A 101 -3.760 6.738 -1.663 1.00 0.69 H new HETATM 0 H28 SYO A 101 -7.666 10.075 -1.996 1.00 0.84 H new HETATM 0 H2 SYO A 101 -2.010 6.831 -1.657 1.00 0.69 H new HETATM 0 H1A SYO A 101 -1.884 7.074 0.659 1.00 0.56 H new HETATM 0 H1 SYO A 101 -3.451 6.337 0.930 1.00 0.56 H new