USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=14 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+ -165:sc= 1.24 (180deg=1.11) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 4 GLN : amide:sc= -0.475 X(o=-0.47,f=0) USER MOD Single : A 16 ASN : amide:sc= -12.2! C(o=-12!,f=-12!) 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 77:sc= 0.754 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 153:sc= -6.13! (180deg=-7.5!) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.15) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 1.35 (180deg=1.09) USER MOD Single : A 65 ASN : amide:sc= 1.07 K(o=1.1,f=-0.066) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= -0.933 (180deg=-1.72) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.391 USER MOD Single : A 73 THR OG1 : rot 70:sc= 0.48 USER MOD Single : A 74 LYS NZ :NH3+ 167:sc=-0.00749 (180deg=-0.185) USER MOD Single : A 75 TYR OH : rot 1:sc= 0.0708 USER MOD Single : A 79 HIS : no HD1:sc= -0.532 K(o=-0.53,f=0.14) USER MOD Single : A 80 GLN : amide:sc= -4.1! C(o=-4.1!,f=-6.4!) USER MOD Single : A 101 SYO O33 : rot 122:sc= 0.146 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.211 -7.032 5.888 1.00 1.42 N ATOM 2 CA ALA A 1 11.805 -6.633 4.622 1.00 0.94 C ATOM 3 C ALA A 1 12.192 -7.879 3.859 1.00 0.83 C ATOM 4 O ALA A 1 12.863 -8.744 4.408 1.00 1.23 O ATOM 5 CB ALA A 1 13.025 -5.778 4.883 1.00 1.13 C ATOM 0 H1 ALA A 1 10.714 -6.221 6.309 1.00 1.42 H new ATOM 0 H2 ALA A 1 10.536 -7.806 5.726 1.00 1.42 H new ATOM 0 H3 ALA A 1 11.958 -7.354 6.536 1.00 1.42 H new ATOM 0 HA ALA A 1 11.093 -6.052 4.036 1.00 0.94 H new ATOM 0 HB1 ALA A 1 13.470 -5.479 3.934 1.00 1.13 H new ATOM 0 HB2 ALA A 1 12.733 -4.889 5.443 1.00 1.13 H new ATOM 0 HB3 ALA A 1 13.752 -6.348 5.461 1.00 1.13 H new ATOM 13 N ALA A 2 11.783 -7.979 2.597 1.00 0.85 N ATOM 14 CA ALA A 2 12.058 -9.177 1.803 1.00 1.24 C ATOM 15 C ALA A 2 11.818 -8.936 0.319 1.00 1.16 C ATOM 16 O ALA A 2 12.752 -8.808 -0.448 1.00 1.77 O ATOM 17 CB ALA A 2 11.224 -10.372 2.288 1.00 1.85 C ATOM 0 H ALA A 2 11.264 -7.252 2.104 1.00 0.85 H new ATOM 0 HA ALA A 2 13.113 -9.413 1.941 1.00 1.24 H new ATOM 0 HB1 ALA A 2 11.451 -11.246 1.678 1.00 1.85 H new ATOM 0 HB2 ALA A 2 11.464 -10.584 3.330 1.00 1.85 H new ATOM 0 HB3 ALA A 2 10.164 -10.135 2.201 1.00 1.85 H new ATOM 23 N THR A 3 10.559 -8.847 -0.067 1.00 0.54 N ATOM 24 CA THR A 3 10.181 -8.710 -1.459 1.00 0.48 C ATOM 25 C THR A 3 8.679 -8.427 -1.537 1.00 0.35 C ATOM 26 O THR A 3 8.063 -8.171 -0.514 1.00 0.35 O ATOM 27 CB THR A 3 10.592 -10.008 -2.279 1.00 0.59 C ATOM 28 OG1 THR A 3 10.187 -9.928 -3.655 1.00 0.66 O ATOM 29 CG2 THR A 3 10.033 -11.284 -1.638 1.00 0.66 C ATOM 0 H THR A 3 9.769 -8.868 0.578 1.00 0.54 H new ATOM 0 HA THR A 3 10.713 -7.874 -1.913 1.00 0.48 H new ATOM 0 HB THR A 3 11.681 -10.056 -2.250 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.460 -10.744 -4.124 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.335 -12.150 -2.227 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.421 -11.382 -0.624 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.945 -11.229 -1.606 1.00 0.66 H new ATOM 37 N GLN A 4 8.126 -8.454 -2.727 1.00 0.32 N ATOM 38 CA GLN A 4 6.688 -8.271 -2.994 1.00 0.28 C ATOM 39 C GLN A 4 5.805 -9.141 -2.093 1.00 0.27 C ATOM 40 O GLN A 4 4.785 -8.668 -1.596 1.00 0.26 O ATOM 41 CB GLN A 4 6.396 -8.509 -4.489 1.00 0.33 C ATOM 42 CG GLN A 4 4.922 -8.487 -4.902 1.00 0.37 C ATOM 43 CD GLN A 4 4.294 -9.875 -5.029 1.00 0.39 C ATOM 44 OE1 GLN A 4 4.344 -10.490 -6.090 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.671 -10.361 -3.992 1.00 0.48 N ATOM 0 H GLN A 4 8.670 -8.608 -3.576 1.00 0.32 H new ATOM 0 HA GLN A 4 6.432 -7.240 -2.750 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.925 -7.751 -5.066 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.816 -9.474 -4.771 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.358 -7.909 -4.170 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.830 -7.968 -5.856 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.642 -9.832 -3.120 1.00 0.48 H new ATOM 0 HE22 GLN A 4 3.212 -11.270 -4.052 1.00 0.48 H new ATOM 54 N GLU A 5 6.196 -10.390 -1.889 1.00 0.33 N ATOM 55 CA GLU A 5 5.479 -11.318 -0.991 1.00 0.40 C ATOM 56 C GLU A 5 5.422 -10.817 0.463 1.00 0.39 C ATOM 57 O GLU A 5 4.600 -11.249 1.243 1.00 0.55 O ATOM 58 CB GLU A 5 6.047 -12.726 -1.071 1.00 0.57 C ATOM 59 CG GLU A 5 5.830 -13.389 -2.421 1.00 0.85 C ATOM 60 CD GLU A 5 6.377 -14.781 -2.468 1.00 1.88 C ATOM 61 OE1 GLU A 5 5.723 -15.717 -1.956 1.00 2.37 O ATOM 62 OE2 GLU A 5 7.473 -14.980 -3.031 1.00 2.66 O ATOM 0 H GLU A 5 7.017 -10.800 -2.335 1.00 0.33 H new ATOM 0 HA GLU A 5 4.449 -11.353 -1.347 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.116 -12.691 -0.859 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.588 -13.339 -0.295 1.00 0.57 H new ATOM 0 HG2 GLU A 5 4.763 -13.413 -2.643 1.00 0.85 H new ATOM 0 HG3 GLU A 5 6.304 -12.789 -3.198 1.00 0.85 H new ATOM 69 N GLU A 6 6.339 -9.955 0.817 1.00 0.36 N ATOM 70 CA GLU A 6 6.350 -9.303 2.131 1.00 0.42 C ATOM 71 C GLU A 6 5.373 -8.132 2.096 1.00 0.32 C ATOM 72 O GLU A 6 4.646 -7.876 3.046 1.00 0.37 O ATOM 73 CB GLU A 6 7.781 -8.764 2.407 1.00 0.55 C ATOM 74 CG GLU A 6 7.940 -7.779 3.567 1.00 0.82 C ATOM 75 CD GLU A 6 7.960 -8.414 4.921 1.00 1.75 C ATOM 76 OE1 GLU A 6 6.909 -8.835 5.415 1.00 2.05 O ATOM 77 OE2 GLU A 6 9.049 -8.487 5.516 1.00 2.73 O ATOM 0 H GLU A 6 7.109 -9.674 0.210 1.00 0.36 H new ATOM 0 HA GLU A 6 6.063 -10.008 2.911 1.00 0.42 H new ATOM 0 HB2 GLU A 6 8.434 -9.616 2.594 1.00 0.55 H new ATOM 0 HB3 GLU A 6 8.142 -8.280 1.499 1.00 0.55 H new ATOM 0 HG2 GLU A 6 8.865 -7.220 3.428 1.00 0.82 H new ATOM 0 HG3 GLU A 6 7.123 -7.058 3.530 1.00 0.82 H new ATOM 84 N ILE A 7 5.326 -7.474 0.960 1.00 0.21 N ATOM 85 CA ILE A 7 4.611 -6.246 0.827 1.00 0.16 C ATOM 86 C ILE A 7 3.125 -6.501 0.675 1.00 0.14 C ATOM 87 O ILE A 7 2.378 -6.257 1.567 1.00 0.18 O ATOM 88 CB ILE A 7 5.117 -5.563 -0.443 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.616 -5.365 -0.331 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.405 -4.239 -0.667 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.271 -4.970 -1.614 1.00 0.23 C ATOM 0 H ILE A 7 5.787 -7.785 0.105 1.00 0.21 H new ATOM 0 HA ILE A 7 4.768 -5.631 1.713 1.00 0.16 H new ATOM 0 HB ILE A 7 4.902 -6.194 -1.305 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.817 -4.600 0.419 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.069 -6.289 0.028 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.783 -3.772 -1.577 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.334 -4.414 -0.767 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.587 -3.580 0.182 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.342 -4.847 -1.453 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.103 -5.745 -2.362 1.00 0.23 H new ATOM 0 HD13 ILE A 7 6.847 -4.029 -1.965 1.00 0.23 H new ATOM 103 N VAL A 8 2.738 -7.073 -0.417 1.00 0.13 N ATOM 104 CA VAL A 8 1.329 -7.287 -0.724 1.00 0.15 C ATOM 105 C VAL A 8 0.623 -8.138 0.328 1.00 0.18 C ATOM 106 O VAL A 8 -0.487 -7.804 0.743 1.00 0.25 O ATOM 107 CB VAL A 8 1.159 -7.867 -2.139 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.292 -7.956 -2.534 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.923 -7.029 -3.135 1.00 0.17 C ATOM 0 H VAL A 8 3.378 -7.413 -1.135 1.00 0.13 H new ATOM 0 HA VAL A 8 0.842 -6.312 -0.700 1.00 0.15 H new ATOM 0 HB VAL A 8 1.561 -8.880 -2.136 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.371 -8.370 -3.539 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.821 -8.602 -1.833 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.736 -6.961 -2.516 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.797 -7.446 -4.134 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.543 -6.007 -3.118 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.981 -7.027 -2.873 1.00 0.17 H new ATOM 119 N ALA A 9 1.282 -9.180 0.786 1.00 0.18 N ATOM 120 CA ALA A 9 0.736 -10.046 1.819 1.00 0.22 C ATOM 121 C ALA A 9 0.458 -9.268 3.106 1.00 0.21 C ATOM 122 O ALA A 9 -0.563 -9.493 3.775 1.00 0.27 O ATOM 123 CB ALA A 9 1.690 -11.184 2.099 1.00 0.26 C ATOM 0 H ALA A 9 2.208 -9.454 0.457 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.210 -10.448 1.456 1.00 0.22 H new ATOM 0 HB1 ALA A 9 1.272 -11.827 2.874 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.841 -11.764 1.189 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.646 -10.783 2.437 1.00 0.26 H new ATOM 129 N GLY A 10 1.341 -8.338 3.434 1.00 0.18 N ATOM 130 CA GLY A 10 1.185 -7.594 4.619 1.00 0.18 C ATOM 131 C GLY A 10 0.278 -6.429 4.436 1.00 0.15 C ATOM 132 O GLY A 10 -0.561 -6.147 5.290 1.00 0.16 O ATOM 0 H GLY A 10 2.164 -8.099 2.880 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.790 -8.241 5.402 1.00 0.18 H new ATOM 0 HA3 GLY A 10 2.160 -7.243 4.957 1.00 0.18 H new ATOM 136 N LEU A 11 0.426 -5.778 3.301 1.00 0.14 N ATOM 137 CA LEU A 11 -0.320 -4.599 2.938 1.00 0.13 C ATOM 138 C LEU A 11 -1.787 -4.950 2.934 1.00 0.14 C ATOM 139 O LEU A 11 -2.595 -4.216 3.468 1.00 0.16 O ATOM 140 CB LEU A 11 0.128 -4.118 1.545 1.00 0.13 C ATOM 141 CG LEU A 11 0.194 -2.600 1.296 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.670 -2.328 -0.119 1.00 0.18 C ATOM 143 CD2 LEU A 11 -1.143 -1.935 1.538 1.00 0.20 C ATOM 0 H LEU A 11 1.092 -6.068 2.585 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.141 -3.795 3.652 1.00 0.13 H new ATOM 0 HB2 LEU A 11 1.117 -4.533 1.350 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.550 -4.549 0.808 1.00 0.13 H new ATOM 0 HG LEU A 11 0.905 -2.174 2.004 1.00 0.15 H new ATOM 0 HD11 LEU A 11 0.714 -1.252 -0.288 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.662 -2.758 -0.258 1.00 0.18 H new ATOM 0 HD13 LEU A 11 -0.024 -2.778 -0.829 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -1.056 -0.865 1.352 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.888 -2.361 0.866 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.450 -2.100 2.571 1.00 0.20 H new ATOM 155 N ALA A 12 -2.105 -6.122 2.380 1.00 0.12 N ATOM 156 CA ALA A 12 -3.464 -6.621 2.342 1.00 0.13 C ATOM 157 C ALA A 12 -4.058 -6.651 3.729 1.00 0.11 C ATOM 158 O ALA A 12 -5.138 -6.128 3.936 1.00 0.13 O ATOM 159 CB ALA A 12 -3.511 -8.008 1.746 1.00 0.14 C ATOM 0 H ALA A 12 -1.422 -6.744 1.948 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.048 -5.946 1.716 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.542 -8.362 1.728 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.119 -7.981 0.729 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.906 -8.684 2.350 1.00 0.14 H new ATOM 165 N GLU A 13 -3.312 -7.202 4.679 1.00 0.12 N ATOM 166 CA GLU A 13 -3.781 -7.325 6.057 1.00 0.13 C ATOM 167 C GLU A 13 -3.959 -5.977 6.709 1.00 0.15 C ATOM 168 O GLU A 13 -4.897 -5.756 7.479 1.00 0.19 O ATOM 169 CB GLU A 13 -2.898 -8.252 6.878 1.00 0.18 C ATOM 170 CG GLU A 13 -2.879 -9.660 6.321 1.00 0.23 C ATOM 171 CD GLU A 13 -2.140 -10.653 7.184 1.00 0.36 C ATOM 172 OE1 GLU A 13 -0.949 -10.459 7.471 1.00 0.52 O ATOM 173 OE2 GLU A 13 -2.756 -11.644 7.615 1.00 0.68 O ATOM 0 H GLU A 13 -2.375 -7.573 4.521 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.767 -7.789 6.021 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.882 -7.858 6.901 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.255 -8.274 7.908 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.906 -10.002 6.190 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.421 -9.642 5.332 1.00 0.23 H new ATOM 180 N ILE A 14 -3.095 -5.071 6.369 1.00 0.14 N ATOM 181 CA ILE A 14 -3.207 -3.692 6.814 1.00 0.17 C ATOM 182 C ILE A 14 -4.528 -3.091 6.304 1.00 0.18 C ATOM 183 O ILE A 14 -5.270 -2.465 7.055 1.00 0.22 O ATOM 184 CB ILE A 14 -2.016 -2.884 6.285 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.735 -3.440 6.892 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.175 -1.412 6.618 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.499 -3.075 6.145 1.00 0.25 C ATOM 0 H ILE A 14 -2.287 -5.254 5.775 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.202 -3.657 7.903 1.00 0.17 H new ATOM 0 HB ILE A 14 -1.971 -2.972 5.199 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.646 -3.081 7.917 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -0.810 -4.526 6.940 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.319 -0.857 6.233 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.089 -1.032 6.161 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.232 -1.288 7.699 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.367 -3.509 6.642 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.434 -3.458 5.126 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.601 -1.990 6.119 1.00 0.25 H new ATOM 199 N VAL A 15 -4.854 -3.378 5.057 1.00 0.15 N ATOM 200 CA VAL A 15 -6.041 -2.841 4.424 1.00 0.17 C ATOM 201 C VAL A 15 -7.301 -3.448 5.073 1.00 0.18 C ATOM 202 O VAL A 15 -8.395 -2.858 5.059 1.00 0.22 O ATOM 203 CB VAL A 15 -6.076 -3.143 2.897 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.246 -2.488 2.258 1.00 0.27 C ATOM 205 CG2 VAL A 15 -4.836 -2.682 2.207 1.00 0.23 C ATOM 0 H VAL A 15 -4.302 -3.990 4.456 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.018 -1.760 4.563 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.152 -4.226 2.796 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.251 -2.712 1.191 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.164 -2.861 2.711 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.183 -1.409 2.402 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -4.904 -2.913 1.144 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -4.725 -1.606 2.338 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -3.972 -3.190 2.634 1.00 0.23 H new ATOM 215 N ASN A 16 -7.131 -4.612 5.660 1.00 0.16 N ATOM 216 CA ASN A 16 -8.238 -5.325 6.296 1.00 0.20 C ATOM 217 C ASN A 16 -8.544 -4.644 7.612 1.00 0.25 C ATOM 218 O ASN A 16 -9.666 -4.236 7.870 1.00 0.34 O ATOM 219 CB ASN A 16 -7.898 -6.807 6.606 1.00 0.20 C ATOM 220 CG ASN A 16 -7.251 -7.592 5.516 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.463 -8.473 5.783 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.624 -7.376 4.314 1.00 0.27 N ATOM 0 H ASN A 16 -6.234 -5.095 5.715 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.081 -5.306 5.605 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.242 -6.830 7.476 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.820 -7.315 6.889 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.258 -7.951 3.555 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.288 -6.629 4.113 1.00 0.27 H new ATOM 229 N GLU A 17 -7.503 -4.483 8.401 1.00 0.26 N ATOM 230 CA GLU A 17 -7.585 -3.912 9.732 1.00 0.35 C ATOM 231 C GLU A 17 -7.978 -2.434 9.711 1.00 0.38 C ATOM 232 O GLU A 17 -8.844 -2.005 10.478 1.00 0.47 O ATOM 233 CB GLU A 17 -6.247 -4.086 10.426 1.00 0.41 C ATOM 234 CG GLU A 17 -5.832 -5.537 10.585 1.00 0.46 C ATOM 235 CD GLU A 17 -6.709 -6.288 11.544 1.00 1.22 C ATOM 236 OE1 GLU A 17 -6.467 -6.209 12.761 1.00 1.35 O ATOM 237 OE2 GLU A 17 -7.648 -6.973 11.116 1.00 2.07 O ATOM 0 H GLU A 17 -6.556 -4.750 8.131 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.369 -4.439 10.277 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.481 -3.557 9.859 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.294 -3.620 11.410 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -5.861 -6.028 9.612 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -4.800 -5.580 10.933 1.00 0.46 H new ATOM 244 N ILE A 18 -7.343 -1.661 8.848 1.00 0.32 N ATOM 245 CA ILE A 18 -7.613 -0.228 8.772 1.00 0.38 C ATOM 246 C ILE A 18 -9.002 0.020 8.169 1.00 0.39 C ATOM 247 O ILE A 18 -9.836 0.705 8.763 1.00 0.43 O ATOM 248 CB ILE A 18 -6.564 0.487 7.872 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.126 0.283 8.392 1.00 0.47 C ATOM 250 CG2 ILE A 18 -6.879 1.977 7.768 1.00 0.65 C ATOM 251 CD1 ILE A 18 -4.768 1.037 9.651 1.00 0.58 C ATOM 0 H ILE A 18 -6.639 -1.996 8.190 1.00 0.32 H new ATOM 0 HA ILE A 18 -7.562 0.169 9.786 1.00 0.38 H new ATOM 0 HB ILE A 18 -6.624 0.037 6.881 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -4.973 -0.781 8.573 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -4.431 0.576 7.606 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.136 2.463 7.135 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -7.869 2.110 7.333 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -6.857 2.424 8.762 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -3.736 0.819 9.924 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -4.880 2.107 9.478 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -5.430 0.729 10.460 1.00 0.58 H new ATOM 263 N ALA A 19 -9.251 -0.551 7.013 1.00 0.39 N ATOM 264 CA ALA A 19 -10.490 -0.294 6.316 1.00 0.44 C ATOM 265 C ALA A 19 -11.445 -1.467 6.428 1.00 0.41 C ATOM 266 O ALA A 19 -12.403 -1.429 7.194 1.00 0.54 O ATOM 267 CB ALA A 19 -10.215 0.054 4.861 1.00 0.48 C ATOM 0 H ALA A 19 -8.616 -1.193 6.538 1.00 0.39 H new ATOM 0 HA ALA A 19 -10.974 0.561 6.789 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.158 0.245 4.348 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -9.588 0.944 4.812 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -9.702 -0.778 4.379 1.00 0.48 H new ATOM 273 N GLY A 20 -11.162 -2.517 5.706 1.00 0.34 N ATOM 274 CA GLY A 20 -12.029 -3.664 5.723 1.00 0.33 C ATOM 275 C GLY A 20 -12.020 -4.392 4.421 1.00 0.32 C ATOM 276 O GLY A 20 -13.050 -4.569 3.780 1.00 0.43 O ATOM 0 H GLY A 20 -10.344 -2.603 5.103 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.719 -4.341 6.519 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.046 -3.346 5.953 1.00 0.33 H new ATOM 280 N ILE A 21 -10.857 -4.751 3.996 1.00 0.27 N ATOM 281 CA ILE A 21 -10.692 -5.532 2.815 1.00 0.26 C ATOM 282 C ILE A 21 -10.578 -7.005 3.191 1.00 0.25 C ATOM 283 O ILE A 21 -10.256 -7.314 4.313 1.00 0.24 O ATOM 284 CB ILE A 21 -9.488 -4.998 1.971 1.00 0.25 C ATOM 285 CG1 ILE A 21 -9.990 -4.066 0.856 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.556 -6.078 1.427 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.775 -2.857 1.334 1.00 0.29 C ATOM 0 H ILE A 21 -9.983 -4.508 4.463 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.567 -5.440 2.172 1.00 0.26 H new ATOM 0 HB ILE A 21 -8.866 -4.432 2.665 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.132 -3.719 0.280 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.618 -4.642 0.177 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.753 -5.612 0.856 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.131 -6.643 2.256 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.118 -6.751 0.780 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.085 -2.262 0.475 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.656 -3.189 1.883 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.148 -2.251 1.988 1.00 0.29 H new ATOM 299 N PRO A 22 -10.924 -7.900 2.297 1.00 0.29 N ATOM 300 CA PRO A 22 -10.847 -9.361 2.510 1.00 0.35 C ATOM 301 C PRO A 22 -9.480 -10.027 2.148 1.00 0.45 C ATOM 302 O PRO A 22 -9.442 -11.181 1.753 1.00 1.08 O ATOM 303 CB PRO A 22 -11.913 -9.885 1.566 1.00 0.37 C ATOM 304 CG PRO A 22 -12.549 -8.685 0.949 1.00 0.44 C ATOM 305 CD PRO A 22 -11.557 -7.602 1.040 1.00 0.34 C ATOM 0 HA PRO A 22 -10.974 -9.591 3.568 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.475 -10.529 0.803 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.649 -10.483 2.103 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.820 -8.878 -0.089 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.466 -8.418 1.473 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.851 -7.621 0.210 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.023 -6.617 1.039 1.00 0.34 H new ATOM 313 N VAL A 23 -8.403 -9.275 2.274 1.00 0.39 N ATOM 314 CA VAL A 23 -6.964 -9.732 2.166 1.00 0.32 C ATOM 315 C VAL A 23 -6.514 -10.424 0.834 1.00 0.42 C ATOM 316 O VAL A 23 -5.332 -10.718 0.658 1.00 0.81 O ATOM 317 CB VAL A 23 -6.488 -10.567 3.440 1.00 0.31 C ATOM 318 CG1 VAL A 23 -7.049 -11.982 3.490 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.976 -10.579 3.616 1.00 0.33 C ATOM 0 H VAL A 23 -8.473 -8.275 2.464 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.438 -8.778 2.138 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.913 -10.028 4.287 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.682 -12.488 4.383 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -8.138 -11.941 3.518 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.729 -12.532 2.605 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.717 -11.163 4.499 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.511 -11.025 2.737 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.616 -9.558 3.738 1.00 0.33 H new ATOM 329 N GLU A 24 -7.382 -10.599 -0.116 1.00 0.33 N ATOM 330 CA GLU A 24 -6.967 -11.308 -1.334 1.00 0.40 C ATOM 331 C GLU A 24 -7.076 -10.416 -2.551 1.00 0.34 C ATOM 332 O GLU A 24 -6.512 -10.682 -3.605 1.00 0.44 O ATOM 333 CB GLU A 24 -7.815 -12.563 -1.496 1.00 0.57 C ATOM 334 CG GLU A 24 -7.662 -13.543 -0.341 1.00 1.36 C ATOM 335 CD GLU A 24 -8.539 -14.753 -0.471 1.00 1.86 C ATOM 336 OE1 GLU A 24 -9.691 -14.728 0.018 1.00 2.31 O ATOM 337 OE2 GLU A 24 -8.095 -15.764 -1.044 1.00 2.20 O ATOM 0 H GLU A 24 -8.351 -10.282 -0.096 1.00 0.33 H new ATOM 0 HA GLU A 24 -5.919 -11.594 -1.240 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -8.863 -12.277 -1.585 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -7.541 -13.061 -2.426 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -6.621 -13.862 -0.279 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -7.895 -13.032 0.593 1.00 1.36 H new ATOM 344 N ASP A 25 -7.748 -9.338 -2.351 1.00 0.28 N ATOM 345 CA ASP A 25 -8.118 -8.397 -3.391 1.00 0.29 C ATOM 346 C ASP A 25 -7.020 -7.398 -3.597 1.00 0.25 C ATOM 347 O ASP A 25 -6.846 -6.853 -4.685 1.00 0.28 O ATOM 348 CB ASP A 25 -9.376 -7.677 -2.930 1.00 0.35 C ATOM 349 CG ASP A 25 -10.354 -8.642 -2.316 1.00 0.94 C ATOM 350 OD1 ASP A 25 -10.201 -9.008 -1.133 1.00 1.57 O ATOM 351 OD2 ASP A 25 -11.337 -9.001 -3.011 1.00 1.59 O ATOM 0 H ASP A 25 -8.077 -9.061 -1.426 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.289 -8.920 -4.332 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -9.114 -6.908 -2.204 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.841 -7.171 -3.776 1.00 0.35 H new ATOM 356 N VAL A 26 -6.293 -7.144 -2.532 1.00 0.23 N ATOM 357 CA VAL A 26 -5.162 -6.212 -2.563 1.00 0.22 C ATOM 358 C VAL A 26 -4.045 -6.826 -3.387 1.00 0.25 C ATOM 359 O VAL A 26 -3.344 -7.715 -2.918 1.00 0.30 O ATOM 360 CB VAL A 26 -4.625 -5.924 -1.136 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.522 -4.875 -1.157 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.733 -5.474 -0.234 1.00 0.27 C ATOM 0 H VAL A 26 -6.459 -7.569 -1.620 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.503 -5.273 -3.000 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.207 -6.855 -0.752 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.169 -4.698 -0.141 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.695 -5.229 -1.772 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.911 -3.946 -1.573 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.335 -5.278 0.761 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.179 -4.563 -0.633 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.492 -6.254 -0.174 1.00 0.27 H new ATOM 372 N LYS A 27 -3.967 -6.430 -4.636 1.00 0.28 N ATOM 373 CA LYS A 27 -2.967 -6.912 -5.554 1.00 0.35 C ATOM 374 C LYS A 27 -2.461 -5.771 -6.365 1.00 0.37 C ATOM 375 O LYS A 27 -3.043 -4.692 -6.345 1.00 0.72 O ATOM 376 CB LYS A 27 -3.547 -7.961 -6.491 1.00 0.40 C ATOM 377 CG LYS A 27 -3.926 -9.248 -5.812 1.00 0.83 C ATOM 378 CD LYS A 27 -4.468 -10.235 -6.795 1.00 1.13 C ATOM 379 CE LYS A 27 -4.795 -11.553 -6.113 1.00 1.15 C ATOM 380 NZ LYS A 27 -5.395 -12.528 -7.037 1.00 1.58 N ATOM 0 H LYS A 27 -4.609 -5.752 -5.048 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.159 -7.364 -4.979 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -4.429 -7.548 -6.981 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -2.819 -8.176 -7.273 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -3.054 -9.669 -5.312 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -4.671 -9.051 -5.041 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -5.365 -9.832 -7.265 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -3.740 -10.402 -7.589 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -3.885 -11.974 -5.686 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -5.481 -11.371 -5.286 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -5.600 -13.410 -6.526 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -6.278 -12.140 -7.426 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -4.732 -12.724 -7.813 1.00 1.58 H new ATOM 394 N LEU A 28 -1.410 -6.008 -7.101 1.00 0.24 N ATOM 395 CA LEU A 28 -0.815 -4.986 -7.952 1.00 0.22 C ATOM 396 C LEU A 28 -1.832 -4.541 -8.979 1.00 0.23 C ATOM 397 O LEU A 28 -2.649 -5.349 -9.420 1.00 0.31 O ATOM 398 CB LEU A 28 0.480 -5.482 -8.652 1.00 0.27 C ATOM 399 CG LEU A 28 1.774 -5.617 -7.800 1.00 0.43 C ATOM 400 CD1 LEU A 28 1.603 -6.571 -6.645 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.926 -6.065 -8.677 1.00 1.05 C ATOM 0 H LEU A 28 -0.934 -6.910 -7.136 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.529 -4.145 -7.320 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.268 -6.457 -9.091 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.694 -4.801 -9.476 1.00 0.27 H new ATOM 0 HG LEU A 28 1.990 -4.635 -7.379 1.00 0.43 H new ATOM 0 HD11 LEU A 28 2.534 -6.630 -6.081 1.00 1.05 H new ATOM 0 HD12 LEU A 28 0.806 -6.214 -5.993 1.00 1.05 H new ATOM 0 HD13 LEU A 28 1.345 -7.560 -7.025 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.829 -6.157 -8.073 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.689 -7.030 -9.124 1.00 1.05 H new ATOM 0 HD23 LEU A 28 3.090 -5.330 -9.465 1.00 1.05 H new ATOM 413 N ASP A 29 -1.811 -3.239 -9.284 1.00 0.24 N ATOM 414 CA ASP A 29 -2.734 -2.571 -10.241 1.00 0.31 C ATOM 415 C ASP A 29 -4.065 -2.239 -9.572 1.00 0.28 C ATOM 416 O ASP A 29 -4.948 -1.651 -10.167 1.00 0.38 O ATOM 417 CB ASP A 29 -2.946 -3.404 -11.524 1.00 0.42 C ATOM 418 CG ASP A 29 -3.714 -2.680 -12.631 1.00 0.60 C ATOM 419 OD1 ASP A 29 -3.114 -1.835 -13.336 1.00 0.72 O ATOM 420 OD2 ASP A 29 -4.907 -2.984 -12.851 1.00 0.70 O ATOM 0 H ASP A 29 -1.139 -2.594 -8.868 1.00 0.24 H new ATOM 0 HA ASP A 29 -2.262 -1.637 -10.545 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.973 -3.705 -11.912 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.482 -4.317 -11.265 1.00 0.42 H new ATOM 425 N LYS A 30 -4.188 -2.558 -8.297 1.00 0.19 N ATOM 426 CA LYS A 30 -5.409 -2.253 -7.604 1.00 0.20 C ATOM 427 C LYS A 30 -5.292 -0.939 -6.950 1.00 0.20 C ATOM 428 O LYS A 30 -4.487 -0.744 -6.066 1.00 0.24 O ATOM 429 CB LYS A 30 -5.812 -3.242 -6.569 1.00 0.28 C ATOM 430 CG LYS A 30 -6.261 -4.612 -7.042 1.00 0.36 C ATOM 431 CD LYS A 30 -7.600 -4.548 -7.755 1.00 0.45 C ATOM 432 CE LYS A 30 -8.199 -5.933 -7.940 1.00 0.79 C ATOM 433 NZ LYS A 30 -7.466 -6.759 -8.906 1.00 1.48 N ATOM 0 H LYS A 30 -3.470 -3.018 -7.737 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.180 -2.271 -8.374 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -4.970 -3.380 -5.891 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.623 -2.806 -5.986 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.511 -5.029 -7.713 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.335 -5.286 -6.188 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.289 -3.926 -7.183 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.473 -4.072 -8.727 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -8.219 -6.444 -6.977 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -9.233 -5.833 -8.269 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -7.925 -7.689 -8.986 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -7.468 -6.291 -9.835 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -6.485 -6.883 -8.583 1.00 1.48 H new ATOM 447 N SER A 31 -6.137 -0.110 -7.331 1.00 0.20 N ATOM 448 CA SER A 31 -6.169 1.299 -6.979 1.00 0.34 C ATOM 449 C SER A 31 -6.752 1.581 -5.569 1.00 0.53 C ATOM 450 O SER A 31 -7.282 2.659 -5.335 1.00 1.25 O ATOM 451 CB SER A 31 -7.010 1.983 -8.036 1.00 0.36 C ATOM 452 OG SER A 31 -6.545 1.654 -9.337 1.00 0.86 O ATOM 0 H SER A 31 -6.906 -0.373 -7.948 1.00 0.20 H new ATOM 0 HA SER A 31 -5.147 1.677 -6.943 1.00 0.34 H new ATOM 0 HB2 SER A 31 -8.052 1.682 -7.930 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.974 3.063 -7.894 1.00 0.36 H new ATOM 0 HG SER A 31 -6.842 0.750 -9.572 1.00 0.86 H new ATOM 458 N PHE A 32 -6.631 0.604 -4.660 1.00 0.29 N ATOM 459 CA PHE A 32 -7.087 0.677 -3.255 1.00 0.28 C ATOM 460 C PHE A 32 -8.512 1.250 -3.086 1.00 0.26 C ATOM 461 O PHE A 32 -9.478 0.517 -3.085 1.00 0.40 O ATOM 462 CB PHE A 32 -6.100 1.437 -2.372 1.00 0.40 C ATOM 463 CG PHE A 32 -4.740 0.811 -2.156 1.00 0.35 C ATOM 464 CD1 PHE A 32 -3.685 1.106 -2.994 1.00 0.35 C ATOM 465 CD2 PHE A 32 -4.510 -0.039 -1.079 1.00 0.38 C ATOM 466 CE1 PHE A 32 -2.440 0.572 -2.768 1.00 0.34 C ATOM 467 CE2 PHE A 32 -3.270 -0.574 -0.860 1.00 0.40 C ATOM 468 CZ PHE A 32 -2.234 -0.269 -1.703 1.00 0.36 C ATOM 0 H PHE A 32 -6.199 -0.292 -4.885 1.00 0.29 H new ATOM 0 HA PHE A 32 -7.128 -0.360 -2.923 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.951 2.426 -2.806 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.563 1.583 -1.396 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -3.840 1.764 -3.837 1.00 0.35 H new ATOM 0 HD2 PHE A 32 -5.321 -0.280 -0.407 1.00 0.38 H new ATOM 0 HE1 PHE A 32 -1.621 0.814 -3.430 1.00 0.34 H new ATOM 0 HE2 PHE A 32 -3.108 -1.237 -0.023 1.00 0.40 H new ATOM 0 HZ PHE A 32 -1.255 -0.690 -1.529 1.00 0.36 H new ATOM 478 N THR A 33 -8.617 2.537 -2.963 1.00 0.28 N ATOM 479 CA THR A 33 -9.897 3.223 -2.825 1.00 0.36 C ATOM 480 C THR A 33 -10.759 3.062 -4.090 1.00 0.45 C ATOM 481 O THR A 33 -11.982 2.950 -4.013 1.00 1.06 O ATOM 482 CB THR A 33 -9.688 4.746 -2.509 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.941 5.427 -2.377 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.865 5.431 -3.588 1.00 0.78 C ATOM 0 H THR A 33 -7.813 3.164 -2.954 1.00 0.28 H new ATOM 0 HA THR A 33 -10.423 2.761 -1.990 1.00 0.36 H new ATOM 0 HB THR A 33 -9.149 4.797 -1.563 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.780 6.373 -2.179 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.740 6.484 -3.337 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.886 4.956 -3.656 1.00 0.78 H new ATOM 0 HG23 THR A 33 -9.378 5.345 -4.546 1.00 0.78 H new ATOM 492 N ASP A 34 -10.113 2.990 -5.234 1.00 0.32 N ATOM 493 CA ASP A 34 -10.830 2.939 -6.496 1.00 0.34 C ATOM 494 C ASP A 34 -11.168 1.517 -6.878 1.00 0.35 C ATOM 495 O ASP A 34 -12.263 1.234 -7.351 1.00 0.50 O ATOM 496 CB ASP A 34 -10.025 3.621 -7.603 1.00 0.38 C ATOM 497 CG ASP A 34 -10.700 3.561 -8.958 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.713 4.256 -9.163 1.00 1.04 O ATOM 499 OD2 ASP A 34 -10.251 2.797 -9.831 1.00 1.74 O ATOM 0 H ASP A 34 -9.097 2.965 -5.319 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.767 3.481 -6.369 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.860 4.664 -7.333 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -9.044 3.151 -7.672 1.00 0.38 H new ATOM 504 N ASP A 35 -10.245 0.616 -6.639 1.00 0.30 N ATOM 505 CA ASP A 35 -10.471 -0.780 -7.004 1.00 0.32 C ATOM 506 C ASP A 35 -11.044 -1.606 -5.888 1.00 0.35 C ATOM 507 O ASP A 35 -11.932 -2.411 -6.107 1.00 0.52 O ATOM 508 CB ASP A 35 -9.215 -1.463 -7.529 1.00 0.31 C ATOM 509 CG ASP A 35 -8.966 -1.246 -8.993 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.806 -1.654 -9.809 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.961 -0.615 -9.344 1.00 1.10 O ATOM 0 H ASP A 35 -9.344 0.809 -6.202 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.209 -0.727 -7.804 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.355 -1.099 -6.967 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.290 -2.534 -7.339 1.00 0.31 H new ATOM 516 N LEU A 36 -10.560 -1.408 -4.695 1.00 0.30 N ATOM 517 CA LEU A 36 -10.950 -2.267 -3.593 1.00 0.33 C ATOM 518 C LEU A 36 -12.206 -1.737 -2.917 1.00 0.39 C ATOM 519 O LEU A 36 -13.291 -2.286 -3.116 1.00 0.81 O ATOM 520 CB LEU A 36 -9.810 -2.395 -2.562 1.00 0.33 C ATOM 521 CG LEU A 36 -8.415 -2.673 -3.113 1.00 0.33 C ATOM 522 CD1 LEU A 36 -7.410 -2.838 -1.994 1.00 0.36 C ATOM 523 CD2 LEU A 36 -8.406 -3.861 -4.029 1.00 0.36 C ATOM 0 H LEU A 36 -9.900 -0.669 -4.453 1.00 0.30 H new ATOM 0 HA LEU A 36 -11.161 -3.256 -4.000 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.769 -1.472 -1.983 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -10.067 -3.195 -1.868 1.00 0.33 H new ATOM 0 HG LEU A 36 -8.120 -1.806 -3.704 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -6.425 -3.035 -2.416 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -7.374 -1.925 -1.400 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.706 -3.673 -1.359 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -7.395 -4.026 -4.401 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.741 -4.743 -3.484 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -9.076 -3.678 -4.869 1.00 0.36 H new ATOM 535 N ASP A 37 -12.042 -0.624 -2.173 1.00 0.35 N ATOM 536 CA ASP A 37 -13.123 -0.004 -1.334 1.00 0.45 C ATOM 537 C ASP A 37 -12.503 0.972 -0.340 1.00 0.39 C ATOM 538 O ASP A 37 -13.160 1.910 0.116 1.00 0.87 O ATOM 539 CB ASP A 37 -13.873 -1.084 -0.500 1.00 0.79 C ATOM 540 CG ASP A 37 -14.997 -0.528 0.366 1.00 0.90 C ATOM 541 OD1 ASP A 37 -16.155 -0.412 -0.125 1.00 1.12 O ATOM 542 OD2 ASP A 37 -14.742 -0.177 1.550 1.00 0.99 O ATOM 0 H ASP A 37 -11.158 -0.118 -2.128 1.00 0.35 H new ATOM 0 HA ASP A 37 -13.816 0.497 -2.010 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.286 -1.830 -1.179 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -13.155 -1.598 0.140 1.00 0.79 H new ATOM 547 N VAL A 38 -11.210 0.745 -0.065 1.00 0.38 N ATOM 548 CA VAL A 38 -10.428 1.400 0.997 1.00 0.37 C ATOM 549 C VAL A 38 -10.631 2.896 1.040 1.00 0.48 C ATOM 550 O VAL A 38 -10.156 3.609 0.175 1.00 0.79 O ATOM 551 CB VAL A 38 -8.937 1.170 0.796 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.193 1.449 2.089 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.643 -0.208 0.274 1.00 0.43 C ATOM 0 H VAL A 38 -10.657 0.073 -0.597 1.00 0.38 H new ATOM 0 HA VAL A 38 -10.782 0.955 1.927 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.586 1.866 0.035 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.126 1.282 1.938 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.360 2.484 2.389 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.558 0.782 2.870 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.567 -0.327 0.146 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.008 -0.951 0.983 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.140 -0.347 -0.686 1.00 0.43 H new ATOM 563 N ASP A 39 -11.363 3.333 2.024 1.00 0.39 N ATOM 564 CA ASP A 39 -11.654 4.745 2.224 1.00 0.55 C ATOM 565 C ASP A 39 -10.389 5.603 2.283 1.00 0.67 C ATOM 566 O ASP A 39 -9.477 5.343 3.083 1.00 1.53 O ATOM 567 CB ASP A 39 -12.452 4.950 3.493 1.00 0.64 C ATOM 568 CG ASP A 39 -12.767 6.406 3.732 1.00 1.28 C ATOM 569 OD1 ASP A 39 -13.733 6.924 3.146 1.00 1.51 O ATOM 570 OD2 ASP A 39 -12.051 7.059 4.511 1.00 2.00 O ATOM 0 H ASP A 39 -11.784 2.722 2.724 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.237 5.065 1.360 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -13.381 4.383 3.433 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -11.892 4.556 4.341 1.00 0.64 H new ATOM 575 N SER A 40 -10.357 6.593 1.408 1.00 0.45 N ATOM 576 CA SER A 40 -9.308 7.586 1.274 1.00 0.37 C ATOM 577 C SER A 40 -8.660 8.089 2.583 1.00 0.34 C ATOM 578 O SER A 40 -7.433 8.138 2.664 1.00 0.46 O ATOM 579 CB SER A 40 -9.847 8.737 0.488 1.00 0.51 C ATOM 580 OG SER A 40 -8.892 9.798 0.449 1.00 0.78 O ATOM 0 H SER A 40 -11.108 6.732 0.732 1.00 0.45 H new ATOM 0 HA SER A 40 -8.489 7.079 0.764 1.00 0.37 H new ATOM 0 HB2 SER A 40 -10.085 8.415 -0.526 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.776 9.090 0.937 1.00 0.51 H new ATOM 585 N LEU A 41 -9.428 8.424 3.616 1.00 0.32 N ATOM 586 CA LEU A 41 -8.773 8.993 4.789 1.00 0.36 C ATOM 587 C LEU A 41 -8.053 7.933 5.621 1.00 0.33 C ATOM 588 O LEU A 41 -7.107 8.222 6.358 1.00 0.41 O ATOM 589 CB LEU A 41 -9.687 9.921 5.626 1.00 0.51 C ATOM 590 CG LEU A 41 -10.991 9.379 6.214 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.750 8.449 7.395 1.00 1.15 C ATOM 592 CD2 LEU A 41 -11.858 10.536 6.619 1.00 1.18 C ATOM 0 H LEU A 41 -10.441 8.321 3.669 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.997 9.655 4.405 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -9.091 10.302 6.455 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.944 10.775 4.999 1.00 0.51 H new ATOM 0 HG LEU A 41 -11.492 8.785 5.450 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.706 8.091 7.777 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -10.147 7.600 7.073 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.224 8.989 8.182 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.791 10.162 7.040 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.338 11.136 7.366 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -12.075 11.151 5.746 1.00 1.18 H new ATOM 604 N SER A 42 -8.489 6.703 5.478 1.00 0.31 N ATOM 605 CA SER A 42 -7.870 5.589 6.145 1.00 0.33 C ATOM 606 C SER A 42 -6.671 5.098 5.325 1.00 0.27 C ATOM 607 O SER A 42 -5.775 4.434 5.841 1.00 0.26 O ATOM 608 CB SER A 42 -8.889 4.471 6.309 1.00 0.45 C ATOM 609 OG SER A 42 -10.030 4.931 7.029 1.00 0.60 O ATOM 0 H SER A 42 -9.285 6.450 4.893 1.00 0.31 H new ATOM 0 HA SER A 42 -7.519 5.899 7.129 1.00 0.33 H new ATOM 0 HB2 SER A 42 -9.195 4.104 5.329 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.434 3.632 6.836 1.00 0.45 H new ATOM 0 HG SER A 42 -10.675 4.199 7.123 1.00 0.60 H new ATOM 615 N MET A 43 -6.659 5.473 4.055 1.00 0.27 N ATOM 616 CA MET A 43 -5.637 5.086 3.100 1.00 0.31 C ATOM 617 C MET A 43 -4.264 5.473 3.537 1.00 0.25 C ATOM 618 O MET A 43 -3.354 4.671 3.445 1.00 0.28 O ATOM 619 CB MET A 43 -5.926 5.671 1.725 1.00 0.46 C ATOM 620 CG MET A 43 -6.993 4.951 0.935 1.00 0.73 C ATOM 621 SD MET A 43 -6.328 3.701 -0.159 1.00 0.86 S ATOM 622 CE MET A 43 -5.265 2.760 0.921 1.00 0.40 C ATOM 0 H MET A 43 -7.380 6.071 3.651 1.00 0.27 H new ATOM 0 HA MET A 43 -5.668 3.998 3.043 1.00 0.31 H new ATOM 0 HB2 MET A 43 -6.225 6.712 1.846 1.00 0.46 H new ATOM 0 HB3 MET A 43 -5.003 5.670 1.145 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.696 4.485 1.625 1.00 0.73 H new ATOM 0 HG3 MET A 43 -7.556 5.677 0.349 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.179 1.739 0.548 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.277 3.220 0.951 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.688 2.745 1.925 1.00 0.40 H new ATOM 632 N VAL A 44 -4.129 6.682 4.047 1.00 0.22 N ATOM 633 CA VAL A 44 -2.842 7.198 4.497 1.00 0.22 C ATOM 634 C VAL A 44 -2.242 6.268 5.567 1.00 0.21 C ATOM 635 O VAL A 44 -1.041 5.950 5.535 1.00 0.26 O ATOM 636 CB VAL A 44 -2.985 8.641 5.045 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.638 9.200 5.489 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.612 9.549 3.992 1.00 0.30 C ATOM 0 H VAL A 44 -4.903 7.336 4.163 1.00 0.22 H new ATOM 0 HA VAL A 44 -2.166 7.229 3.643 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.639 8.605 5.916 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.772 10.213 5.868 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.224 8.570 6.276 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.954 9.217 4.641 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.706 10.559 4.392 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.980 9.567 3.104 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.599 9.171 3.727 1.00 0.30 H new ATOM 648 N GLU A 45 -3.102 5.773 6.460 1.00 0.19 N ATOM 649 CA GLU A 45 -2.680 4.861 7.516 1.00 0.18 C ATOM 650 C GLU A 45 -2.159 3.586 6.908 1.00 0.20 C ATOM 651 O GLU A 45 -1.117 3.104 7.281 1.00 0.25 O ATOM 652 CB GLU A 45 -3.831 4.489 8.437 1.00 0.17 C ATOM 653 CG GLU A 45 -4.568 5.647 9.041 1.00 0.29 C ATOM 654 CD GLU A 45 -3.651 6.651 9.697 1.00 0.46 C ATOM 655 OE1 GLU A 45 -2.793 6.232 10.504 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.790 7.870 9.447 1.00 0.58 O ATOM 0 H GLU A 45 -4.098 5.992 6.469 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.909 5.374 8.091 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.541 3.880 7.877 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.443 3.866 9.243 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -5.149 6.146 8.265 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.277 5.274 9.780 1.00 0.29 H new ATOM 663 N VAL A 46 -2.892 3.084 5.920 1.00 0.19 N ATOM 664 CA VAL A 46 -2.575 1.835 5.234 1.00 0.22 C ATOM 665 C VAL A 46 -1.186 1.912 4.563 1.00 0.20 C ATOM 666 O VAL A 46 -0.506 0.915 4.409 1.00 0.23 O ATOM 667 CB VAL A 46 -3.648 1.506 4.141 1.00 0.31 C ATOM 668 CG1 VAL A 46 -3.402 0.168 3.490 1.00 0.53 C ATOM 669 CG2 VAL A 46 -5.047 1.545 4.710 1.00 0.63 C ATOM 0 H VAL A 46 -3.734 3.539 5.568 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.572 1.046 5.986 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.555 2.279 3.378 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -4.170 -0.018 2.739 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -2.422 0.170 3.014 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.436 -0.616 4.246 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.766 1.312 3.924 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -5.135 0.811 5.511 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -5.251 2.540 5.105 1.00 0.63 H new ATOM 679 N VAL A 47 -0.759 3.118 4.253 1.00 0.17 N ATOM 680 CA VAL A 47 0.507 3.334 3.547 1.00 0.18 C ATOM 681 C VAL A 47 1.623 3.295 4.538 1.00 0.19 C ATOM 682 O VAL A 47 2.597 2.563 4.374 1.00 0.21 O ATOM 683 CB VAL A 47 0.562 4.704 2.855 1.00 0.22 C ATOM 684 CG1 VAL A 47 1.800 4.802 1.975 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.675 4.956 2.056 1.00 0.54 C ATOM 0 H VAL A 47 -1.266 3.974 4.476 1.00 0.17 H new ATOM 0 HA VAL A 47 0.595 2.553 2.792 1.00 0.18 H new ATOM 0 HB VAL A 47 0.621 5.472 3.627 1.00 0.22 H new ATOM 0 HG11 VAL A 47 1.826 5.778 1.491 1.00 0.55 H new ATOM 0 HG12 VAL A 47 2.693 4.677 2.588 1.00 0.55 H new ATOM 0 HG13 VAL A 47 1.769 4.021 1.215 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.607 5.933 1.578 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.778 4.185 1.292 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.544 4.934 2.714 1.00 0.54 H new ATOM 695 N VAL A 48 1.483 4.111 5.553 1.00 0.19 N ATOM 696 CA VAL A 48 2.458 4.188 6.607 1.00 0.23 C ATOM 697 C VAL A 48 2.562 2.827 7.295 1.00 0.23 C ATOM 698 O VAL A 48 3.649 2.362 7.598 1.00 0.35 O ATOM 699 CB VAL A 48 2.085 5.298 7.629 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.132 5.412 8.723 1.00 0.42 C ATOM 701 CG2 VAL A 48 1.924 6.637 6.920 1.00 0.33 C ATOM 0 H VAL A 48 0.689 4.740 5.670 1.00 0.19 H new ATOM 0 HA VAL A 48 3.426 4.450 6.180 1.00 0.23 H new ATOM 0 HB VAL A 48 1.137 5.022 8.092 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.843 6.197 9.423 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.209 4.463 9.254 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.097 5.658 8.279 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.663 7.405 7.648 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.860 6.904 6.431 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.133 6.561 6.174 1.00 0.33 H new ATOM 711 N ALA A 49 1.430 2.139 7.430 1.00 0.18 N ATOM 712 CA ALA A 49 1.425 0.872 8.072 1.00 0.18 C ATOM 713 C ALA A 49 2.092 -0.152 7.188 1.00 0.17 C ATOM 714 O ALA A 49 2.726 -1.098 7.675 1.00 0.21 O ATOM 715 CB ALA A 49 0.031 0.444 8.470 1.00 0.20 C ATOM 0 H ALA A 49 0.519 2.455 7.097 1.00 0.18 H new ATOM 0 HA ALA A 49 1.994 0.956 8.998 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.075 -0.530 8.957 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.392 1.176 9.159 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.597 0.377 7.581 1.00 0.20 H new ATOM 721 N ALA A 50 1.954 0.051 5.876 1.00 0.16 N ATOM 722 CA ALA A 50 2.595 -0.779 4.898 1.00 0.18 C ATOM 723 C ALA A 50 4.098 -0.679 5.071 1.00 0.18 C ATOM 724 O ALA A 50 4.755 -1.667 5.377 1.00 0.21 O ATOM 725 CB ALA A 50 2.152 -0.398 3.460 1.00 0.18 C ATOM 0 H ALA A 50 1.390 0.802 5.478 1.00 0.16 H new ATOM 0 HA ALA A 50 2.294 -1.815 5.050 1.00 0.18 H new ATOM 0 HB1 ALA A 50 2.655 -1.045 2.741 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.073 -0.522 3.367 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.417 0.641 3.261 1.00 0.18 H new ATOM 731 N GLU A 51 4.631 0.513 4.974 1.00 0.18 N ATOM 732 CA GLU A 51 6.060 0.692 5.059 1.00 0.23 C ATOM 733 C GLU A 51 6.650 0.319 6.415 1.00 0.23 C ATOM 734 O GLU A 51 7.721 -0.283 6.466 1.00 0.30 O ATOM 735 CB GLU A 51 6.500 2.046 4.522 1.00 0.29 C ATOM 736 CG GLU A 51 5.810 3.254 5.105 1.00 0.31 C ATOM 737 CD GLU A 51 6.553 3.934 6.212 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.548 3.469 7.350 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.150 4.971 5.944 1.00 0.64 O ATOM 0 H GLU A 51 4.099 1.372 4.836 1.00 0.18 H new ATOM 0 HA GLU A 51 6.503 -0.042 4.386 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.572 2.149 4.692 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.346 2.052 3.443 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.637 3.976 4.307 1.00 0.31 H new ATOM 0 HG3 GLU A 51 4.832 2.950 5.477 1.00 0.31 H new ATOM 746 N GLU A 52 5.923 0.588 7.490 1.00 0.22 N ATOM 747 CA GLU A 52 6.354 0.194 8.835 1.00 0.26 C ATOM 748 C GLU A 52 6.498 -1.318 8.955 1.00 0.24 C ATOM 749 O GLU A 52 7.299 -1.821 9.751 1.00 0.35 O ATOM 750 CB GLU A 52 5.390 0.689 9.914 1.00 0.33 C ATOM 751 CG GLU A 52 5.438 2.173 10.173 1.00 0.46 C ATOM 752 CD GLU A 52 4.575 2.569 11.337 1.00 1.20 C ATOM 753 OE1 GLU A 52 4.946 2.320 12.492 1.00 1.50 O ATOM 754 OE2 GLU A 52 3.484 3.147 11.114 1.00 2.07 O ATOM 0 H GLU A 52 5.029 1.078 7.463 1.00 0.22 H new ATOM 0 HA GLU A 52 7.326 0.662 8.991 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.374 0.417 9.626 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.608 0.165 10.844 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.468 2.474 10.366 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.111 2.708 9.281 1.00 0.46 H new ATOM 761 N ARG A 53 5.712 -2.036 8.194 1.00 0.18 N ATOM 762 CA ARG A 53 5.742 -3.476 8.216 1.00 0.21 C ATOM 763 C ARG A 53 6.769 -4.032 7.228 1.00 0.24 C ATOM 764 O ARG A 53 7.383 -5.060 7.474 1.00 0.37 O ATOM 765 CB ARG A 53 4.349 -4.026 7.908 1.00 0.25 C ATOM 766 CG ARG A 53 4.245 -5.538 7.916 1.00 0.41 C ATOM 767 CD ARG A 53 2.832 -5.968 7.615 1.00 0.49 C ATOM 768 NE ARG A 53 2.689 -7.415 7.524 1.00 1.36 N ATOM 769 CZ ARG A 53 1.670 -8.110 8.024 1.00 1.55 C ATOM 770 NH1 ARG A 53 0.907 -7.590 8.992 1.00 1.19 N ATOM 771 NH2 ARG A 53 1.479 -9.363 7.627 1.00 2.48 N ATOM 0 H ARG A 53 5.034 -1.640 7.543 1.00 0.18 H new ATOM 0 HA ARG A 53 6.043 -3.796 9.214 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.646 -3.624 8.637 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.038 -3.660 6.930 1.00 0.25 H new ATOM 0 HG2 ARG A 53 4.926 -5.960 7.177 1.00 0.41 H new ATOM 0 HG3 ARG A 53 4.551 -5.925 8.888 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.169 -5.590 8.393 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.512 -5.516 6.676 1.00 0.49 H new ATOM 0 HE ARG A 53 3.423 -7.933 7.042 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.105 -6.656 9.351 1.00 1.19 H new ATOM 0 HH12 ARG A 53 0.127 -8.128 9.371 1.00 1.19 H new ATOM 0 HH21 ARG A 53 2.110 -9.784 6.945 1.00 2.48 H new ATOM 0 HH22 ARG A 53 0.701 -9.904 8.004 1.00 2.48 H new ATOM 785 N PHE A 54 6.976 -3.343 6.119 1.00 0.20 N ATOM 786 CA PHE A 54 7.846 -3.883 5.056 1.00 0.26 C ATOM 787 C PHE A 54 9.266 -3.410 5.198 1.00 0.37 C ATOM 788 O PHE A 54 10.150 -3.884 4.497 1.00 0.81 O ATOM 789 CB PHE A 54 7.326 -3.523 3.670 1.00 0.18 C ATOM 790 CG PHE A 54 5.873 -3.769 3.503 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.230 -4.758 4.223 1.00 0.27 C ATOM 792 CD2 PHE A 54 5.140 -2.971 2.678 1.00 0.19 C ATOM 793 CE1 PHE A 54 3.897 -4.932 4.114 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.801 -3.142 2.568 1.00 0.29 C ATOM 795 CZ PHE A 54 3.179 -4.117 3.288 1.00 0.33 C ATOM 0 H PHE A 54 6.570 -2.428 5.921 1.00 0.20 H new ATOM 0 HA PHE A 54 7.830 -4.967 5.168 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.534 -2.471 3.474 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.873 -4.100 2.924 1.00 0.18 H new ATOM 0 HD1 PHE A 54 5.801 -5.398 4.880 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.630 -2.196 2.107 1.00 0.19 H new ATOM 0 HE1 PHE A 54 3.402 -5.710 4.676 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.227 -2.506 1.910 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.110 -4.246 3.204 1.00 0.33 H new ATOM 805 N ASP A 55 9.441 -2.443 6.072 1.00 0.23 N ATOM 806 CA ASP A 55 10.746 -1.839 6.439 1.00 0.30 C ATOM 807 C ASP A 55 11.196 -0.785 5.423 1.00 0.21 C ATOM 808 O ASP A 55 12.289 -0.244 5.511 1.00 0.44 O ATOM 809 CB ASP A 55 11.848 -2.905 6.727 1.00 0.60 C ATOM 810 CG ASP A 55 13.131 -2.334 7.325 1.00 1.22 C ATOM 811 OD1 ASP A 55 13.122 -1.945 8.520 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.170 -2.279 6.621 1.00 1.99 O ATOM 0 H ASP A 55 8.660 -2.025 6.578 1.00 0.23 H new ATOM 0 HA ASP A 55 10.589 -1.316 7.383 1.00 0.30 H new ATOM 0 HB2 ASP A 55 11.444 -3.653 7.409 1.00 0.60 H new ATOM 0 HB3 ASP A 55 12.091 -3.420 5.797 1.00 0.60 H new ATOM 817 N VAL A 56 10.334 -0.462 4.471 1.00 0.17 N ATOM 818 CA VAL A 56 10.635 0.612 3.554 1.00 0.21 C ATOM 819 C VAL A 56 10.205 1.941 4.231 1.00 0.20 C ATOM 820 O VAL A 56 9.572 1.908 5.294 1.00 0.21 O ATOM 821 CB VAL A 56 9.903 0.393 2.189 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.415 0.423 2.358 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.329 1.372 1.126 1.00 0.37 C ATOM 0 H VAL A 56 9.437 -0.923 4.319 1.00 0.17 H new ATOM 0 HA VAL A 56 11.702 0.643 3.332 1.00 0.21 H new ATOM 0 HB VAL A 56 10.200 -0.598 1.846 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.936 0.268 1.391 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.111 -0.367 3.045 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.114 1.390 2.761 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.785 1.167 0.204 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.111 2.387 1.458 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.399 1.271 0.946 1.00 0.37 H new ATOM 833 N LYS A 57 10.540 3.066 3.663 1.00 0.25 N ATOM 834 CA LYS A 57 10.092 4.327 4.197 1.00 0.25 C ATOM 835 C LYS A 57 9.374 5.086 3.106 1.00 0.22 C ATOM 836 O LYS A 57 9.935 5.328 2.035 1.00 0.28 O ATOM 837 CB LYS A 57 11.258 5.164 4.784 1.00 0.33 C ATOM 838 CG LYS A 57 10.812 6.524 5.315 1.00 0.44 C ATOM 839 CD LYS A 57 9.778 6.353 6.407 1.00 0.89 C ATOM 840 CE LYS A 57 8.806 7.514 6.436 1.00 1.46 C ATOM 841 NZ LYS A 57 7.654 7.226 7.309 1.00 2.12 N ATOM 0 H LYS A 57 11.123 3.138 2.829 1.00 0.25 H new ATOM 0 HA LYS A 57 9.411 4.133 5.025 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.730 4.603 5.591 1.00 0.33 H new ATOM 0 HB3 LYS A 57 12.015 5.312 4.014 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.672 7.070 5.703 1.00 0.44 H new ATOM 0 HG3 LYS A 57 10.396 7.120 4.502 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.231 5.423 6.250 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.277 6.270 7.373 1.00 0.89 H new ATOM 0 HE2 LYS A 57 9.317 8.410 6.788 1.00 1.46 H new ATOM 0 HE3 LYS A 57 8.456 7.723 5.425 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 7.041 8.064 7.362 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 7.115 6.426 6.920 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 7.993 6.984 8.262 1.00 2.12 H new ATOM 855 N ILE A 58 8.149 5.444 3.357 1.00 0.20 N ATOM 856 CA ILE A 58 7.357 6.137 2.375 1.00 0.19 C ATOM 857 C ILE A 58 6.952 7.508 2.910 1.00 0.21 C ATOM 858 O ILE A 58 6.212 7.604 3.896 1.00 0.25 O ATOM 859 CB ILE A 58 6.082 5.325 1.985 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.476 3.920 1.502 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.298 6.056 0.892 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.310 3.010 1.189 1.00 0.24 C ATOM 0 H ILE A 58 7.670 5.267 4.240 1.00 0.20 H new ATOM 0 HA ILE A 58 7.966 6.255 1.479 1.00 0.19 H new ATOM 0 HB ILE A 58 5.447 5.230 2.866 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.093 4.017 0.609 1.00 0.22 H new ATOM 0 HG13 ILE A 58 7.093 3.448 2.266 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.412 5.477 0.631 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.996 7.038 1.256 1.00 0.20 H new ATOM 0 HG23 ILE A 58 5.927 6.174 0.010 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.683 2.042 0.856 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.702 2.876 2.084 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.702 3.455 0.401 1.00 0.24 H new ATOM 874 N PRO A 59 7.476 8.584 2.306 1.00 0.23 N ATOM 875 CA PRO A 59 7.105 9.949 2.664 1.00 0.28 C ATOM 876 C PRO A 59 5.663 10.219 2.282 1.00 0.24 C ATOM 877 O PRO A 59 5.119 9.560 1.373 1.00 0.21 O ATOM 878 CB PRO A 59 8.017 10.812 1.795 1.00 0.33 C ATOM 879 CG PRO A 59 8.380 9.933 0.666 1.00 0.30 C ATOM 880 CD PRO A 59 8.474 8.556 1.238 1.00 0.25 C ATOM 0 HA PRO A 59 7.205 10.142 3.732 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.505 11.711 1.451 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.899 11.138 2.345 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.629 9.979 -0.123 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.328 10.238 0.222 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.250 7.792 0.494 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.472 8.344 1.622 1.00 0.25 H new ATOM 888 N ASP A 60 5.064 11.204 2.917 1.00 0.30 N ATOM 889 CA ASP A 60 3.658 11.551 2.684 1.00 0.34 C ATOM 890 C ASP A 60 3.407 11.904 1.225 1.00 0.31 C ATOM 891 O ASP A 60 2.333 11.645 0.707 1.00 0.36 O ATOM 892 CB ASP A 60 3.178 12.692 3.597 1.00 0.51 C ATOM 893 CG ASP A 60 3.806 14.023 3.287 1.00 1.25 C ATOM 894 OD1 ASP A 60 4.957 14.259 3.681 1.00 1.98 O ATOM 895 OD2 ASP A 60 3.152 14.863 2.637 1.00 1.92 O ATOM 0 H ASP A 60 5.527 11.792 3.610 1.00 0.30 H new ATOM 0 HA ASP A 60 3.078 10.662 2.933 1.00 0.34 H new ATOM 0 HB2 ASP A 60 2.095 12.783 3.511 1.00 0.51 H new ATOM 0 HB3 ASP A 60 3.394 12.431 4.633 1.00 0.51 H new ATOM 900 N ASP A 61 4.409 12.452 0.550 1.00 0.30 N ATOM 901 CA ASP A 61 4.260 12.778 -0.857 1.00 0.37 C ATOM 902 C ASP A 61 4.231 11.549 -1.733 1.00 0.33 C ATOM 903 O ASP A 61 3.502 11.508 -2.707 1.00 0.46 O ATOM 904 CB ASP A 61 5.266 13.814 -1.366 1.00 0.50 C ATOM 905 CG ASP A 61 4.947 15.215 -0.890 1.00 1.16 C ATOM 906 OD1 ASP A 61 3.916 15.789 -1.315 1.00 1.16 O ATOM 907 OD2 ASP A 61 5.744 15.778 -0.105 1.00 2.06 O ATOM 0 H ASP A 61 5.320 12.677 0.949 1.00 0.30 H new ATOM 0 HA ASP A 61 3.283 13.256 -0.931 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.266 13.539 -1.031 1.00 0.50 H new ATOM 0 HB3 ASP A 61 5.279 13.798 -2.456 1.00 0.50 H new ATOM 912 N ASP A 62 4.968 10.515 -1.372 1.00 0.25 N ATOM 913 CA ASP A 62 4.932 9.287 -2.173 1.00 0.25 C ATOM 914 C ASP A 62 3.707 8.486 -1.870 1.00 0.23 C ATOM 915 O ASP A 62 3.241 7.720 -2.702 1.00 0.28 O ATOM 916 CB ASP A 62 6.190 8.439 -2.088 1.00 0.26 C ATOM 917 CG ASP A 62 7.336 9.048 -2.846 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.153 9.442 -4.008 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.432 9.171 -2.289 1.00 0.44 O ATOM 0 H ASP A 62 5.583 10.489 -0.558 1.00 0.25 H new ATOM 0 HA ASP A 62 4.890 9.618 -3.211 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.473 8.315 -1.043 1.00 0.26 H new ATOM 0 HB3 ASP A 62 5.983 7.444 -2.482 1.00 0.26 H new ATOM 924 N VAL A 63 3.177 8.682 -0.672 1.00 0.22 N ATOM 925 CA VAL A 63 1.865 8.137 -0.283 1.00 0.26 C ATOM 926 C VAL A 63 0.822 8.595 -1.328 1.00 0.29 C ATOM 927 O VAL A 63 -0.038 7.838 -1.741 1.00 0.38 O ATOM 928 CB VAL A 63 1.453 8.684 1.132 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.043 8.285 1.514 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.422 8.222 2.204 1.00 0.27 C ATOM 0 H VAL A 63 3.635 9.221 0.063 1.00 0.22 H new ATOM 0 HA VAL A 63 1.914 7.049 -0.240 1.00 0.26 H new ATOM 0 HB VAL A 63 1.489 9.771 1.062 1.00 0.27 H new ATOM 0 HG11 VAL A 63 -0.195 8.687 2.499 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.659 8.683 0.781 1.00 0.31 H new ATOM 0 HG13 VAL A 63 -0.034 7.198 1.537 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.110 8.617 3.171 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.430 7.133 2.242 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.423 8.584 1.970 1.00 0.27 H new ATOM 940 N LYS A 64 0.967 9.846 -1.756 1.00 0.27 N ATOM 941 CA LYS A 64 0.088 10.477 -2.752 1.00 0.34 C ATOM 942 C LYS A 64 0.355 9.953 -4.184 1.00 0.32 C ATOM 943 O LYS A 64 -0.448 10.166 -5.091 1.00 0.38 O ATOM 944 CB LYS A 64 0.330 11.972 -2.747 1.00 0.44 C ATOM 945 CG LYS A 64 0.237 12.642 -1.380 1.00 0.83 C ATOM 946 CD LYS A 64 0.789 14.060 -1.438 1.00 0.73 C ATOM 947 CE LYS A 64 0.870 14.701 -0.059 1.00 1.59 C ATOM 948 NZ LYS A 64 1.542 16.019 -0.115 1.00 2.16 N ATOM 0 H LYS A 64 1.706 10.463 -1.420 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.940 10.234 -2.482 1.00 0.34 H new ATOM 0 HB2 LYS A 64 1.320 12.165 -3.161 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.392 12.443 -3.414 1.00 0.44 H new ATOM 0 HG2 LYS A 64 -0.802 12.664 -1.050 1.00 0.83 H new ATOM 0 HG3 LYS A 64 0.793 12.060 -0.645 1.00 0.83 H new ATOM 0 HD2 LYS A 64 1.781 14.044 -1.888 1.00 0.73 H new ATOM 0 HD3 LYS A 64 0.156 14.669 -2.083 1.00 0.73 H new ATOM 0 HE2 LYS A 64 -0.134 14.820 0.348 1.00 1.59 H new ATOM 0 HE3 LYS A 64 1.413 14.042 0.619 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 1.764 16.337 0.850 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 2.422 15.937 -0.663 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 0.913 16.710 -0.571 1.00 2.16 H new ATOM 962 N ASN A 65 1.477 9.279 -4.376 1.00 0.26 N ATOM 963 CA ASN A 65 1.898 8.813 -5.692 1.00 0.29 C ATOM 964 C ASN A 65 1.507 7.387 -5.920 1.00 0.28 C ATOM 965 O ASN A 65 1.178 6.996 -7.052 1.00 0.42 O ATOM 966 CB ASN A 65 3.398 8.949 -5.851 1.00 0.36 C ATOM 967 CG ASN A 65 3.859 10.343 -6.283 1.00 0.90 C ATOM 968 OD1 ASN A 65 4.019 10.612 -7.476 1.00 1.59 O ATOM 969 ND2 ASN A 65 4.063 11.241 -5.357 1.00 1.43 N ATOM 0 H ASN A 65 2.124 9.038 -3.625 1.00 0.26 H new ATOM 0 HA ASN A 65 1.394 9.436 -6.431 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.877 8.697 -4.905 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.742 8.221 -6.586 1.00 0.36 H new ATOM 0 HD21 ASN A 65 4.359 12.182 -5.616 1.00 1.43 H new ATOM 0 HD22 ASN A 65 3.926 11.001 -4.375 1.00 1.43 H new ATOM 976 N LEU A 66 1.571 6.594 -4.865 1.00 0.21 N ATOM 977 CA LEU A 66 1.162 5.234 -4.923 1.00 0.23 C ATOM 978 C LEU A 66 -0.339 5.266 -5.100 1.00 0.25 C ATOM 979 O LEU A 66 -1.051 5.763 -4.252 1.00 0.31 O ATOM 980 CB LEU A 66 1.531 4.476 -3.617 1.00 0.22 C ATOM 981 CG LEU A 66 2.978 4.628 -3.072 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.226 3.689 -1.901 1.00 0.22 C ATOM 983 CD2 LEU A 66 4.018 4.414 -4.144 1.00 0.23 C ATOM 0 H LEU A 66 1.911 6.892 -3.951 1.00 0.21 H new ATOM 0 HA LEU A 66 1.661 4.711 -5.738 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.844 4.801 -2.836 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.346 3.415 -3.783 1.00 0.22 H new ATOM 0 HG LEU A 66 3.073 5.656 -2.722 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.247 3.818 -1.541 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.526 3.917 -1.097 1.00 0.22 H new ATOM 0 HD13 LEU A 66 3.083 2.658 -2.225 1.00 0.22 H new ATOM 0 HD21 LEU A 66 5.013 4.531 -3.714 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.916 3.410 -4.555 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.878 5.147 -4.938 1.00 0.23 H new ATOM 995 N LYS A 67 -0.806 4.837 -6.221 1.00 0.28 N ATOM 996 CA LYS A 67 -2.235 4.894 -6.476 1.00 0.34 C ATOM 997 C LYS A 67 -2.815 3.509 -6.435 1.00 0.30 C ATOM 998 O LYS A 67 -3.971 3.309 -6.054 1.00 0.38 O ATOM 999 CB LYS A 67 -2.552 5.599 -7.812 1.00 0.46 C ATOM 1000 CG LYS A 67 -1.992 7.019 -7.912 1.00 1.05 C ATOM 1001 CD LYS A 67 -2.627 7.967 -6.890 1.00 1.26 C ATOM 1002 CE LYS A 67 -3.960 8.588 -7.365 1.00 1.83 C ATOM 1003 NZ LYS A 67 -5.003 7.593 -7.691 1.00 2.55 N ATOM 0 H LYS A 67 -0.243 4.445 -6.976 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.699 5.491 -5.691 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -2.150 5.002 -8.631 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -3.633 5.635 -7.945 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -0.913 6.993 -7.759 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -2.163 7.405 -8.917 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -2.800 7.423 -5.961 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -1.923 8.768 -6.664 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -4.337 9.253 -6.588 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -3.770 9.202 -8.245 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 -5.934 8.057 -7.703 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 -4.809 7.181 -8.626 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -5.001 6.840 -6.973 1.00 2.55 H new ATOM 1017 N THR A 68 -2.020 2.545 -6.821 1.00 0.23 N ATOM 1018 CA THR A 68 -2.418 1.212 -6.766 1.00 0.19 C ATOM 1019 C THR A 68 -1.462 0.465 -5.888 1.00 0.18 C ATOM 1020 O THR A 68 -0.446 1.023 -5.429 1.00 0.20 O ATOM 1021 CB THR A 68 -2.398 0.542 -8.150 1.00 0.18 C ATOM 1022 OG1 THR A 68 -1.055 0.528 -8.640 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.284 1.265 -9.144 1.00 0.22 C ATOM 0 H THR A 68 -1.077 2.691 -7.181 1.00 0.23 H new ATOM 0 HA THR A 68 -3.438 1.187 -6.382 1.00 0.19 H new ATOM 0 HB THR A 68 -2.782 -0.472 -8.039 1.00 0.18 H new ATOM 0 HG1 THR A 68 -1.033 0.101 -9.522 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.239 0.757 -10.108 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.312 1.266 -8.782 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.939 2.293 -9.259 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.721 -0.810 -5.707 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.823 -1.658 -4.979 1.00 0.18 C ATOM 1033 C VAL A 69 0.328 -1.992 -5.888 1.00 0.15 C ATOM 1034 O VAL A 69 1.366 -2.445 -5.456 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.506 -2.950 -4.511 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -0.684 -3.694 -3.470 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -2.897 -2.651 -4.026 1.00 1.21 C ATOM 0 H VAL A 69 -2.555 -1.280 -6.060 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.484 -1.135 -4.085 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.579 -3.622 -5.366 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -1.210 -4.601 -3.171 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.285 -3.959 -3.893 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.537 -3.056 -2.599 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -3.374 -3.574 -3.696 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -2.849 -1.950 -3.193 1.00 1.21 H new ATOM 0 HG23 VAL A 69 -3.479 -2.212 -4.837 1.00 1.21 H new ATOM 1047 N GLY A 70 0.138 -1.702 -7.168 1.00 0.14 N ATOM 1048 CA GLY A 70 1.187 -1.911 -8.124 1.00 0.16 C ATOM 1049 C GLY A 70 2.281 -0.927 -7.898 1.00 0.19 C ATOM 1050 O GLY A 70 3.440 -1.293 -7.740 1.00 0.33 O ATOM 0 H GLY A 70 -0.728 -1.326 -7.554 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.575 -2.926 -8.036 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.795 -1.806 -9.136 1.00 0.16 H new ATOM 1054 N ASP A 71 1.891 0.314 -7.783 1.00 0.17 N ATOM 1055 CA ASP A 71 2.837 1.408 -7.593 1.00 0.20 C ATOM 1056 C ASP A 71 3.481 1.283 -6.232 1.00 0.17 C ATOM 1057 O ASP A 71 4.705 1.406 -6.096 1.00 0.20 O ATOM 1058 CB ASP A 71 2.139 2.769 -7.683 1.00 0.32 C ATOM 1059 CG ASP A 71 3.081 3.889 -8.055 1.00 0.87 C ATOM 1060 OD1 ASP A 71 3.683 4.497 -7.184 1.00 1.28 O ATOM 1061 OD2 ASP A 71 3.246 4.158 -9.254 1.00 1.39 O ATOM 0 H ASP A 71 0.914 0.606 -7.817 1.00 0.17 H new ATOM 0 HA ASP A 71 3.587 1.346 -8.381 1.00 0.20 H new ATOM 0 HB2 ASP A 71 1.339 2.713 -8.421 1.00 0.32 H new ATOM 0 HB3 ASP A 71 1.673 2.997 -6.724 1.00 0.32 H new ATOM 1066 N ALA A 72 2.637 0.996 -5.229 1.00 0.15 N ATOM 1067 CA ALA A 72 3.065 0.874 -3.835 1.00 0.13 C ATOM 1068 C ALA A 72 4.136 -0.147 -3.687 1.00 0.12 C ATOM 1069 O ALA A 72 5.249 0.164 -3.322 1.00 0.14 O ATOM 1070 CB ALA A 72 1.889 0.410 -2.981 1.00 0.13 C ATOM 0 H ALA A 72 1.638 0.843 -5.366 1.00 0.15 H new ATOM 0 HA ALA A 72 3.434 1.850 -3.519 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.207 0.319 -1.942 1.00 0.13 H new ATOM 0 HB2 ALA A 72 1.080 1.137 -3.050 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.539 -0.558 -3.339 1.00 0.13 H new ATOM 1076 N THR A 73 3.790 -1.346 -4.026 1.00 0.11 N ATOM 1077 CA THR A 73 4.639 -2.488 -3.883 1.00 0.13 C ATOM 1078 C THR A 73 6.007 -2.330 -4.556 1.00 0.16 C ATOM 1079 O THR A 73 7.032 -2.688 -3.962 1.00 0.24 O ATOM 1080 CB THR A 73 3.924 -3.724 -4.394 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.687 -3.857 -3.691 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.752 -4.936 -4.160 1.00 0.17 C ATOM 0 H THR A 73 2.877 -1.567 -4.424 1.00 0.11 H new ATOM 0 HA THR A 73 4.849 -2.593 -2.819 1.00 0.13 H new ATOM 0 HB THR A 73 3.747 -3.622 -5.465 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.071 -3.150 -3.976 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.225 -5.814 -4.532 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.702 -4.834 -4.684 1.00 0.17 H new ATOM 0 HG23 THR A 73 4.937 -5.050 -3.092 1.00 0.17 H new ATOM 1090 N LYS A 74 6.015 -1.799 -5.761 1.00 0.17 N ATOM 1091 CA LYS A 74 7.230 -1.577 -6.493 1.00 0.20 C ATOM 1092 C LYS A 74 8.095 -0.635 -5.724 1.00 0.23 C ATOM 1093 O LYS A 74 9.221 -0.951 -5.409 1.00 0.45 O ATOM 1094 CB LYS A 74 6.914 -0.998 -7.859 1.00 0.25 C ATOM 1095 CG LYS A 74 6.833 -2.012 -8.997 1.00 0.98 C ATOM 1096 CD LYS A 74 5.741 -3.049 -8.800 1.00 2.21 C ATOM 1097 CE LYS A 74 5.714 -4.061 -9.938 1.00 2.92 C ATOM 1098 NZ LYS A 74 6.946 -4.869 -9.996 1.00 3.63 N ATOM 0 H LYS A 74 5.171 -1.510 -6.256 1.00 0.17 H new ATOM 0 HA LYS A 74 7.754 -2.523 -6.630 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.964 -0.468 -7.799 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.676 -0.259 -8.107 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.658 -1.483 -9.934 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.793 -2.519 -9.092 1.00 0.98 H new ATOM 0 HD2 LYS A 74 5.898 -3.568 -7.855 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.774 -2.551 -8.733 1.00 2.21 H new ATOM 0 HE2 LYS A 74 4.855 -4.720 -9.815 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.581 -3.537 -10.884 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 6.800 -5.680 -10.631 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 7.728 -4.285 -10.355 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 7.180 -5.213 -9.043 1.00 3.63 H new ATOM 1112 N TYR A 75 7.491 0.476 -5.335 1.00 0.16 N ATOM 1113 CA TYR A 75 8.142 1.521 -4.582 1.00 0.16 C ATOM 1114 C TYR A 75 8.766 0.951 -3.329 1.00 0.16 C ATOM 1115 O TYR A 75 9.939 1.170 -3.036 1.00 0.19 O ATOM 1116 CB TYR A 75 7.105 2.549 -4.177 1.00 0.16 C ATOM 1117 CG TYR A 75 7.679 3.721 -3.439 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.231 4.777 -4.135 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.641 3.791 -2.062 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.721 5.868 -3.490 1.00 0.32 C ATOM 1121 CE2 TYR A 75 8.141 4.885 -1.399 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.786 5.828 -2.049 1.00 0.28 C ATOM 1123 OH TYR A 75 9.161 7.032 -1.468 1.00 0.40 O ATOM 0 H TYR A 75 6.512 0.675 -5.542 1.00 0.16 H new ATOM 0 HA TYR A 75 8.918 1.975 -5.199 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.593 2.908 -5.070 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.354 2.068 -3.550 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.274 4.736 -5.213 1.00 0.26 H new ATOM 0 HD2 TYR A 75 7.213 2.975 -1.498 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.051 6.738 -4.039 1.00 0.32 H new ATOM 0 HE2 TYR A 75 8.003 4.971 -0.331 1.00 0.26 H new ATOM 0 HH TYR A 75 9.297 7.705 -2.168 1.00 0.40 H new ATOM 1133 N ILE A 76 7.952 0.239 -2.604 1.00 0.14 N ATOM 1134 CA ILE A 76 8.320 -0.392 -1.380 1.00 0.16 C ATOM 1135 C ILE A 76 9.524 -1.299 -1.583 1.00 0.17 C ATOM 1136 O ILE A 76 10.587 -1.004 -1.073 1.00 0.21 O ATOM 1137 CB ILE A 76 7.114 -1.175 -0.855 1.00 0.15 C ATOM 1138 CG1 ILE A 76 6.037 -0.200 -0.437 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.498 -2.064 0.300 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.699 -0.835 -0.279 1.00 0.13 C ATOM 0 H ILE A 76 6.979 0.079 -2.863 1.00 0.14 H new ATOM 0 HA ILE A 76 8.608 0.360 -0.646 1.00 0.16 H new ATOM 0 HB ILE A 76 6.739 -1.819 -1.650 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.324 0.266 0.505 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.969 0.596 -1.179 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.619 -2.606 0.650 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.258 -2.775 -0.025 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.895 -1.455 1.112 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.972 -0.081 0.022 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.392 -1.277 -1.227 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.753 -1.612 0.484 1.00 0.13 H new ATOM 1152 N LEU A 77 9.356 -2.359 -2.366 1.00 0.17 N ATOM 1153 CA LEU A 77 10.398 -3.351 -2.631 1.00 0.20 C ATOM 1154 C LEU A 77 11.679 -2.671 -3.090 1.00 0.22 C ATOM 1155 O LEU A 77 12.771 -2.973 -2.601 1.00 0.29 O ATOM 1156 CB LEU A 77 9.868 -4.284 -3.740 1.00 0.23 C ATOM 1157 CG LEU A 77 10.681 -5.509 -4.210 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.790 -6.306 -5.107 1.00 1.08 C ATOM 1159 CD2 LEU A 77 11.933 -5.129 -5.008 1.00 1.44 C ATOM 0 H LEU A 77 8.477 -2.559 -2.844 1.00 0.17 H new ATOM 0 HA LEU A 77 10.628 -3.913 -1.726 1.00 0.20 H new ATOM 0 HB2 LEU A 77 8.898 -4.654 -3.408 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.689 -3.664 -4.619 1.00 0.23 H new ATOM 0 HG LEU A 77 11.011 -6.058 -3.328 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.326 -7.185 -5.464 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.905 -6.620 -4.554 1.00 1.08 H new ATOM 0 HD13 LEU A 77 9.489 -5.694 -5.957 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.461 -6.034 -5.310 1.00 1.44 H new ATOM 0 HD22 LEU A 77 11.642 -4.566 -5.895 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.588 -4.517 -4.388 1.00 1.44 H new ATOM 1171 N ASP A 78 11.511 -1.716 -3.962 1.00 0.22 N ATOM 1172 CA ASP A 78 12.605 -1.049 -4.640 1.00 0.29 C ATOM 1173 C ASP A 78 13.412 -0.190 -3.694 1.00 0.30 C ATOM 1174 O ASP A 78 14.604 0.034 -3.889 1.00 0.36 O ATOM 1175 CB ASP A 78 12.068 -0.255 -5.843 1.00 0.45 C ATOM 1176 CG ASP A 78 13.067 0.706 -6.447 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.986 0.263 -7.180 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.976 1.924 -6.181 1.00 0.59 O ATOM 0 H ASP A 78 10.592 -1.367 -4.232 1.00 0.22 H new ATOM 0 HA ASP A 78 13.294 -1.804 -5.017 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.745 -0.957 -6.612 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.186 0.304 -5.531 1.00 0.45 H new ATOM 1183 N HIS A 79 12.780 0.241 -2.642 1.00 0.29 N ATOM 1184 CA HIS A 79 13.440 1.054 -1.663 1.00 0.36 C ATOM 1185 C HIS A 79 13.848 0.251 -0.414 1.00 0.42 C ATOM 1186 O HIS A 79 14.521 0.785 0.477 1.00 0.58 O ATOM 1187 CB HIS A 79 12.605 2.286 -1.304 1.00 0.38 C ATOM 1188 CG HIS A 79 12.549 3.356 -2.371 1.00 0.61 C ATOM 1189 ND1 HIS A 79 13.242 4.538 -2.284 1.00 0.99 N ATOM 1190 CD2 HIS A 79 11.854 3.429 -3.529 1.00 0.87 C ATOM 1191 CE1 HIS A 79 12.977 5.285 -3.326 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.141 4.638 -4.095 1.00 1.18 N ATOM 0 H HIS A 79 11.801 0.041 -2.439 1.00 0.29 H new ATOM 0 HA HIS A 79 14.366 1.409 -2.116 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.588 1.964 -1.081 1.00 0.38 H new ATOM 0 HB3 HIS A 79 13.008 2.725 -0.391 1.00 0.38 H new ATOM 0 HD2 HIS A 79 11.196 2.673 -3.931 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.380 6.268 -3.518 1.00 1.25 H new ATOM 0 HE2 HIS A 79 11.763 4.982 -4.978 1.00 1.18 H new ATOM 1201 N GLN A 80 13.447 -1.026 -0.337 1.00 0.39 N ATOM 1202 CA GLN A 80 13.876 -1.869 0.780 1.00 0.49 C ATOM 1203 C GLN A 80 14.913 -2.882 0.404 1.00 0.58 C ATOM 1204 O GLN A 80 16.109 -2.600 0.416 1.00 0.83 O ATOM 1205 CB GLN A 80 12.733 -2.480 1.665 1.00 0.67 C ATOM 1206 CG GLN A 80 11.507 -2.955 0.929 1.00 0.52 C ATOM 1207 CD GLN A 80 10.943 -4.264 1.431 1.00 0.57 C ATOM 1208 OE1 GLN A 80 11.657 -5.149 1.880 1.00 0.87 O ATOM 1209 NE2 GLN A 80 9.655 -4.379 1.383 1.00 0.56 N ATOM 0 H GLN A 80 12.842 -1.486 -1.017 1.00 0.39 H new ATOM 0 HA GLN A 80 14.359 -1.150 1.441 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.144 -3.320 2.225 1.00 0.67 H new ATOM 0 HB3 GLN A 80 12.426 -1.731 2.395 1.00 0.67 H new ATOM 0 HG2 GLN A 80 10.735 -2.189 1.003 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.751 -3.061 -0.128 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.089 -3.621 1.002 1.00 0.56 H new ATOM 0 HE22 GLN A 80 9.206 -5.228 1.726 1.00 0.56 H new ATOM 1218 N ALA A 81 14.463 -4.016 0.066 1.00 0.71 N ATOM 1219 CA ALA A 81 15.323 -5.122 -0.226 1.00 1.01 C ATOM 1220 C ALA A 81 15.587 -5.227 -1.713 1.00 1.44 C ATOM 1221 O ALA A 81 14.844 -5.914 -2.420 1.00 1.97 O ATOM 1222 CB ALA A 81 14.743 -6.411 0.332 1.00 1.30 C ATOM 1223 OXT ALA A 81 16.538 -4.603 -2.191 1.00 1.97 O ATOM 0 H ALA A 81 13.469 -4.226 -0.023 1.00 0.71 H new ATOM 0 HA ALA A 81 16.282 -4.950 0.262 1.00 1.01 H new ATOM 0 HB1 ALA A 81 15.411 -7.241 0.100 1.00 1.30 H new ATOM 0 HB2 ALA A 81 14.635 -6.323 1.413 1.00 1.30 H new ATOM 0 HB3 ALA A 81 13.767 -6.595 -0.116 1.00 1.30 H new TER 1229 ALA A 81 HETATM 1230 C1 SYO A 101 -3.169 6.688 0.011 1.00 0.56 C HETATM 1231 S1 SYO A 101 -3.913 8.303 0.491 1.00 0.76 S HETATM 1232 C2 SYO A 101 -3.079 6.402 -1.476 1.00 0.69 C HETATM 1233 C3 SYO A 101 -2.887 4.926 -1.776 1.00 0.54 C HETATM 1234 O3 SYO A 101 -3.851 4.211 -2.065 1.00 0.86 O HETATM 1235 C4 SYO A 101 -1.501 4.348 -1.680 1.00 0.47 C HETATM 1236 C5 SYO A 101 -1.413 3.161 -0.760 1.00 0.58 C HETATM 1237 C6 SYO A 101 0.017 2.705 -0.630 1.00 0.57 C HETATM 1238 C7 SYO A 101 0.158 1.563 0.342 1.00 0.49 C HETATM 1239 C8 SYO A 101 1.614 1.216 0.478 1.00 0.47 C HETATM 1240 O23 SYO A 101 -10.890 11.247 0.690 1.00 1.37 O HETATM 1241 P24 SYO A 101 -9.431 11.237 0.371 1.00 0.96 P HETATM 1242 O26 SYO A 101 -8.529 12.144 1.146 1.00 1.27 O HETATM 1243 O27 SYO A 101 -9.264 11.555 -1.125 1.00 1.04 O HETATM 1244 C28 SYO A 101 -7.919 11.472 -1.704 1.00 0.84 C HETATM 1245 C29 SYO A 101 -8.004 11.762 -3.213 1.00 0.82 C HETATM 1246 C30 SYO A 101 -8.753 13.057 -3.369 1.00 1.03 C HETATM 1247 C31 SYO A 101 -6.593 11.910 -3.822 1.00 0.73 C HETATM 1248 C32 SYO A 101 -8.795 10.583 -3.952 1.00 0.93 C HETATM 1249 O33 SYO A 101 -9.351 11.013 -5.184 1.00 1.10 O HETATM 1250 C34 SYO A 101 -7.914 9.372 -4.210 1.00 0.83 C HETATM 1251 O35 SYO A 101 -7.794 8.937 -5.359 1.00 0.96 O HETATM 1252 N36 SYO A 101 -7.302 8.870 -3.175 1.00 0.71 N HETATM 1253 C37 SYO A 101 -6.389 7.726 -3.200 1.00 0.70 C HETATM 1254 C38 SYO A 101 -5.106 8.018 -3.998 1.00 0.66 C HETATM 1255 C39 SYO A 101 -4.270 9.169 -3.484 1.00 0.47 C HETATM 1256 O40 SYO A 101 -3.702 9.955 -4.247 1.00 0.53 O HETATM 1257 N41 SYO A 101 -4.211 9.240 -2.201 1.00 0.38 N HETATM 1258 C42 SYO A 101 -3.494 10.209 -1.447 1.00 0.43 C HETATM 1259 C43 SYO A 101 -2.834 9.539 -0.267 1.00 0.71 C HETATM 0 HO33 SYO A 101 -8.998 10.460 -5.913 1.00 1.10 H new HETATM 0 HN41 SYO A 101 -4.727 8.535 -1.675 1.00 0.38 H new HETATM 0 HN36 SYO A 101 -7.473 9.311 -2.271 1.00 0.71 H new HETATM 0 H43A SYO A 101 -2.565 10.291 0.475 1.00 0.71 H new HETATM 0 H42A SYO A 101 -2.742 10.690 -2.073 1.00 0.43 H new HETATM 0 H38A SYO A 101 -4.490 7.119 -4.005 1.00 0.66 H new HETATM 0 H37A SYO A 101 -6.124 7.453 -2.178 1.00 0.70 H new HETATM 0 H31B SYO A 101 -6.071 12.733 -3.335 1.00 0.73 H new HETATM 0 H31A SYO A 101 -6.034 10.987 -3.673 1.00 0.73 H new HETATM 0 H30B SYO A 101 -9.750 12.955 -2.939 1.00 1.03 H new HETATM 0 H30A SYO A 101 -8.215 13.853 -2.853 1.00 1.03 H new HETATM 0 H28A SYO A 101 -7.256 12.189 -1.220 1.00 0.84 H new HETATM 0 H8B SYO A 101 2.011 0.923 -0.494 1.00 0.47 H new HETATM 0 H8A SYO A 101 2.162 2.083 0.847 1.00 0.47 H new HETATM 0 H8 SYO A 101 1.727 0.390 1.180 1.00 0.47 H new HETATM 0 H7A SYO A 101 -0.256 1.840 1.312 1.00 0.49 H new HETATM 0 H7 SYO A 101 -0.404 0.698 -0.009 1.00 0.49 H new HETATM 0 H6A SYO A 101 0.390 2.398 -1.607 1.00 0.57 H new HETATM 0 H6 SYO A 101 0.635 3.540 -0.301 1.00 0.57 H new HETATM 0 H5A SYO A 101 -1.809 3.423 0.221 1.00 0.58 H new HETATM 0 H5 SYO A 101 -2.028 2.347 -1.145 1.00 0.58 H new HETATM 0 H4A SYO A 101 -1.168 4.053 -2.675 1.00 0.47 H new HETATM 0 H43 SYO A 101 -1.907 9.064 -0.590 1.00 0.71 H new HETATM 0 H42 SYO A 101 -4.170 10.992 -1.103 1.00 0.43 H new HETATM 0 H4 SYO A 101 -0.816 5.121 -1.331 1.00 0.47 H new HETATM 0 H38 SYO A 101 -5.381 8.224 -5.032 1.00 0.66 H new HETATM 0 H37 SYO A 101 -6.898 6.867 -3.637 1.00 0.70 H new HETATM 0 H32 SYO A 101 -9.598 10.297 -3.273 1.00 0.93 H new HETATM 0 H31 SYO A 101 -6.677 12.115 -4.889 1.00 0.73 H new HETATM 0 H30 SYO A 101 -8.838 13.303 -4.427 1.00 1.03 H new HETATM 0 H2A SYO A 101 -3.987 6.753 -1.965 1.00 0.69 H new HETATM 0 H28 SYO A 101 -7.497 10.482 -1.534 1.00 0.84 H new HETATM 0 H2 SYO A 101 -2.249 6.966 -1.901 1.00 0.69 H new HETATM 0 H1A SYO A 101 -2.164 6.637 0.430 1.00 0.56 H new HETATM 0 H1 SYO A 101 -3.750 5.892 0.477 1.00 0.56 H new