USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 646 hydrogens (35 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -158:sc= 1.19 (180deg=0.351) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00257 USER MOD Single : A 4 GLN : amide:sc= 0.348 K(o=0.35,f=-2.1) USER MOD Single : A 16 ASN :FLIP amide:sc= -8.36! C(o=-9.8!,f=-8.4!) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0413) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 81:sc= -0.051 USER MOD Single : A 33 THR OG1 : rot -40:sc= 0.675 USER MOD Single : A 42 SER OG : rot -160:sc= -0.345 USER MOD Single : A 43 MET CE :methyl 156:sc= -7.11! (180deg=-8.3!) USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00307) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0215) USER MOD Single : A 65 ASN : amide:sc= 0.317 K(o=0.32,f=-1.6!) USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= 0.79 (180deg=0.667) USER MOD Single : A 68 THR OG1 : rot -66:sc= 1.62 USER MOD Single : A 73 THR OG1 : rot 76:sc= -1.31 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 1:sc= -1.58! USER MOD Single : A 79 HIS :FLIP no HE2:sc= 0.143 F(o=-0.56,f=0.14) USER MOD Single : A 80 GLN : amide:sc= -4.58! C(o=-4.6!,f=-11!) USER MOD Single : A 101 SYO O33 : rot 129:sc= 0.105 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.256 -6.180 6.078 1.00 1.42 N ATOM 2 CA ALA A 1 12.575 -6.145 4.666 1.00 0.94 C ATOM 3 C ALA A 1 11.671 -7.132 3.989 1.00 0.83 C ATOM 4 O ALA A 1 11.481 -8.255 4.478 1.00 1.23 O ATOM 5 CB ALA A 1 14.034 -6.492 4.438 1.00 1.13 C ATOM 0 H1 ALA A 1 12.563 -5.293 6.525 1.00 1.42 H new ATOM 0 H2 ALA A 1 11.229 -6.292 6.199 1.00 1.42 H new ATOM 0 H3 ALA A 1 12.747 -6.981 6.525 1.00 1.42 H new ATOM 0 HA ALA A 1 12.423 -5.146 4.257 1.00 0.94 H new ATOM 0 HB1 ALA A 1 14.253 -6.460 3.371 1.00 1.13 H new ATOM 0 HB2 ALA A 1 14.665 -5.772 4.960 1.00 1.13 H new ATOM 0 HB3 ALA A 1 14.234 -7.493 4.820 1.00 1.13 H new ATOM 13 N ALA A 2 11.097 -6.734 2.903 1.00 0.85 N ATOM 14 CA ALA A 2 10.076 -7.490 2.300 1.00 1.24 C ATOM 15 C ALA A 2 10.115 -7.360 0.816 1.00 1.16 C ATOM 16 O ALA A 2 10.207 -6.266 0.287 1.00 1.77 O ATOM 17 CB ALA A 2 8.771 -6.940 2.789 1.00 1.85 C ATOM 0 H ALA A 2 11.331 -5.870 2.414 1.00 0.85 H new ATOM 0 HA ALA A 2 10.202 -8.542 2.555 1.00 1.24 H new ATOM 0 HB1 ALA A 2 7.950 -7.501 2.343 1.00 1.85 H new ATOM 0 HB2 ALA A 2 8.723 -7.028 3.874 1.00 1.85 H new ATOM 0 HB3 ALA A 2 8.689 -5.891 2.506 1.00 1.85 H new ATOM 23 N THR A 3 10.034 -8.452 0.146 1.00 0.54 N ATOM 24 CA THR A 3 9.891 -8.409 -1.265 1.00 0.48 C ATOM 25 C THR A 3 8.384 -8.362 -1.532 1.00 0.35 C ATOM 26 O THR A 3 7.604 -8.459 -0.572 1.00 0.35 O ATOM 27 CB THR A 3 10.591 -9.608 -1.977 1.00 0.59 C ATOM 28 OG1 THR A 3 10.668 -9.374 -3.389 1.00 0.66 O ATOM 29 CG2 THR A 3 9.864 -10.927 -1.709 1.00 0.66 C ATOM 0 H THR A 3 10.064 -9.388 0.551 1.00 0.54 H new ATOM 0 HA THR A 3 10.387 -7.532 -1.680 1.00 0.48 H new ATOM 0 HB THR A 3 11.598 -9.688 -1.568 1.00 0.59 H new ATOM 0 HG1 THR A 3 11.111 -10.133 -3.823 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.381 -11.738 -2.221 1.00 0.66 H new ATOM 0 HG22 THR A 3 9.852 -11.124 -0.637 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.840 -10.860 -2.077 1.00 0.66 H new ATOM 37 N GLN A 4 7.972 -8.238 -2.774 1.00 0.32 N ATOM 38 CA GLN A 4 6.544 -8.110 -3.123 1.00 0.28 C ATOM 39 C GLN A 4 5.617 -9.116 -2.425 1.00 0.27 C ATOM 40 O GLN A 4 4.586 -8.716 -1.889 1.00 0.26 O ATOM 41 CB GLN A 4 6.305 -8.053 -4.652 1.00 0.33 C ATOM 42 CG GLN A 4 4.831 -8.186 -5.041 1.00 0.37 C ATOM 43 CD GLN A 4 4.408 -9.632 -5.229 1.00 0.39 C ATOM 44 OE1 GLN A 4 5.204 -10.456 -5.697 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.239 -9.991 -4.752 1.00 0.48 N ATOM 0 H GLN A 4 8.600 -8.221 -3.578 1.00 0.32 H new ATOM 0 HA GLN A 4 6.256 -7.141 -2.716 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.691 -7.110 -5.038 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.873 -8.850 -5.131 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.212 -7.727 -4.270 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.651 -7.635 -5.964 1.00 0.37 H new ATOM 0 HE21 GLN A 4 2.605 -9.288 -4.373 1.00 0.48 H new ATOM 0 HE22 GLN A 4 2.965 -10.973 -4.760 1.00 0.48 H new ATOM 54 N GLU A 5 5.992 -10.382 -2.417 1.00 0.33 N ATOM 55 CA GLU A 5 5.186 -11.433 -1.786 1.00 0.40 C ATOM 56 C GLU A 5 4.980 -11.240 -0.288 1.00 0.39 C ATOM 57 O GLU A 5 4.047 -11.783 0.280 1.00 0.55 O ATOM 58 CB GLU A 5 5.727 -12.813 -2.105 1.00 0.57 C ATOM 59 CG GLU A 5 5.359 -13.295 -3.490 1.00 0.85 C ATOM 60 CD GLU A 5 3.869 -13.517 -3.627 1.00 1.88 C ATOM 61 OE1 GLU A 5 3.341 -14.542 -3.148 1.00 2.37 O ATOM 62 OE2 GLU A 5 3.191 -12.648 -4.209 1.00 2.66 O ATOM 0 H GLU A 5 6.856 -10.718 -2.842 1.00 0.33 H new ATOM 0 HA GLU A 5 4.193 -11.346 -2.227 1.00 0.40 H new ATOM 0 HB2 GLU A 5 6.813 -12.801 -2.009 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.349 -13.523 -1.369 1.00 0.57 H new ATOM 0 HG2 GLU A 5 5.688 -12.564 -4.229 1.00 0.85 H new ATOM 0 HG3 GLU A 5 5.887 -14.224 -3.704 1.00 0.85 H new ATOM 69 N GLU A 6 5.866 -10.511 0.345 1.00 0.36 N ATOM 70 CA GLU A 6 5.709 -10.169 1.742 1.00 0.42 C ATOM 71 C GLU A 6 4.884 -8.868 1.836 1.00 0.32 C ATOM 72 O GLU A 6 4.067 -8.697 2.738 1.00 0.37 O ATOM 73 CB GLU A 6 7.083 -9.952 2.393 1.00 0.55 C ATOM 74 CG GLU A 6 7.059 -9.614 3.891 1.00 0.82 C ATOM 75 CD GLU A 6 6.709 -10.774 4.787 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.576 -11.627 5.068 1.00 2.05 O ATOM 77 OE2 GLU A 6 5.524 -10.881 5.181 1.00 2.73 O ATOM 0 H GLU A 6 6.711 -10.139 -0.088 1.00 0.36 H new ATOM 0 HA GLU A 6 5.201 -10.980 2.263 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.679 -10.853 2.251 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.593 -9.146 1.865 1.00 0.55 H new ATOM 0 HG2 GLU A 6 8.037 -9.230 4.180 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.340 -8.812 4.058 1.00 0.82 H new ATOM 84 N ILE A 7 5.075 -7.978 0.848 1.00 0.21 N ATOM 85 CA ILE A 7 4.469 -6.657 0.862 1.00 0.16 C ATOM 86 C ILE A 7 2.979 -6.751 0.604 1.00 0.14 C ATOM 87 O ILE A 7 2.193 -6.451 1.460 1.00 0.18 O ATOM 88 CB ILE A 7 5.102 -5.764 -0.226 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.592 -5.593 0.036 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.414 -4.402 -0.260 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.332 -4.914 -1.085 1.00 0.23 C ATOM 0 H ILE A 7 5.652 -8.162 0.027 1.00 0.21 H new ATOM 0 HA ILE A 7 4.643 -6.221 1.846 1.00 0.16 H new ATOM 0 HB ILE A 7 4.969 -6.247 -1.194 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.727 -5.015 0.950 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.036 -6.573 0.210 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.871 -3.783 -1.032 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.355 -4.535 -0.481 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.524 -3.914 0.709 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.387 -4.828 -0.825 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.230 -5.502 -1.997 1.00 0.23 H new ATOM 0 HD13 ILE A 7 6.916 -3.919 -1.246 1.00 0.23 H new ATOM 103 N VAL A 8 2.611 -7.179 -0.571 1.00 0.13 N ATOM 104 CA VAL A 8 1.207 -7.283 -0.965 1.00 0.15 C ATOM 105 C VAL A 8 0.432 -8.219 -0.058 1.00 0.18 C ATOM 106 O VAL A 8 -0.776 -8.051 0.133 1.00 0.25 O ATOM 107 CB VAL A 8 1.056 -7.699 -2.450 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.383 -7.661 -2.924 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.918 -6.844 -3.326 1.00 0.17 C ATOM 0 H VAL A 8 3.268 -7.470 -1.295 1.00 0.13 H new ATOM 0 HA VAL A 8 0.777 -6.288 -0.854 1.00 0.15 H new ATOM 0 HB VAL A 8 1.387 -8.735 -2.522 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.429 -7.962 -3.971 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.982 -8.345 -2.323 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.774 -6.649 -2.820 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.799 -7.151 -4.365 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.623 -5.800 -3.220 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.961 -6.957 -3.032 1.00 0.17 H new ATOM 119 N ALA A 9 1.107 -9.155 0.528 1.00 0.18 N ATOM 120 CA ALA A 9 0.463 -10.024 1.445 1.00 0.22 C ATOM 121 C ALA A 9 0.147 -9.273 2.756 1.00 0.21 C ATOM 122 O ALA A 9 -0.929 -9.436 3.334 1.00 0.27 O ATOM 123 CB ALA A 9 1.304 -11.246 1.710 1.00 0.26 C ATOM 0 H ALA A 9 2.101 -9.333 0.385 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.476 -10.359 1.005 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.788 -11.897 2.416 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.470 -11.783 0.776 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.263 -10.943 2.130 1.00 0.26 H new ATOM 129 N GLY A 10 1.067 -8.400 3.171 1.00 0.18 N ATOM 130 CA GLY A 10 0.931 -7.700 4.398 1.00 0.18 C ATOM 131 C GLY A 10 0.110 -6.477 4.279 1.00 0.15 C ATOM 132 O GLY A 10 -0.651 -6.133 5.175 1.00 0.16 O ATOM 0 H GLY A 10 1.915 -8.176 2.650 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.482 -8.361 5.139 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.921 -7.432 4.768 1.00 0.18 H new ATOM 136 N LEU A 11 0.251 -5.825 3.168 1.00 0.14 N ATOM 137 CA LEU A 11 -0.446 -4.627 2.885 1.00 0.13 C ATOM 138 C LEU A 11 -1.925 -4.943 2.776 1.00 0.14 C ATOM 139 O LEU A 11 -2.756 -4.174 3.223 1.00 0.16 O ATOM 140 CB LEU A 11 0.101 -4.041 1.598 1.00 0.13 C ATOM 141 CG LEU A 11 0.430 -2.555 1.611 1.00 0.15 C ATOM 142 CD1 LEU A 11 1.026 -2.148 0.282 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.797 -1.728 1.912 1.00 0.20 C ATOM 0 H LEU A 11 0.873 -6.126 2.418 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.312 -3.891 3.678 1.00 0.13 H new ATOM 0 HB2 LEU A 11 1.006 -4.588 1.332 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.625 -4.222 0.806 1.00 0.13 H new ATOM 0 HG LEU A 11 1.159 -2.372 2.401 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.259 -1.083 0.298 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.939 -2.716 0.103 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.310 -2.351 -0.515 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.532 -0.671 1.915 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.554 -1.910 1.150 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.192 -2.005 2.889 1.00 0.20 H new ATOM 155 N ALA A 12 -2.231 -6.130 2.234 1.00 0.12 N ATOM 156 CA ALA A 12 -3.594 -6.620 2.151 1.00 0.13 C ATOM 157 C ALA A 12 -4.201 -6.666 3.524 1.00 0.11 C ATOM 158 O ALA A 12 -5.321 -6.213 3.726 1.00 0.13 O ATOM 159 CB ALA A 12 -3.622 -8.006 1.558 1.00 0.14 C ATOM 0 H ALA A 12 -1.536 -6.768 1.845 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.164 -5.945 1.513 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.652 -8.358 1.503 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.193 -7.982 0.556 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.041 -8.682 2.185 1.00 0.14 H new ATOM 165 N GLU A 13 -3.421 -7.169 4.468 1.00 0.12 N ATOM 166 CA GLU A 13 -3.829 -7.313 5.851 1.00 0.13 C ATOM 167 C GLU A 13 -4.124 -5.986 6.487 1.00 0.15 C ATOM 168 O GLU A 13 -5.130 -5.826 7.183 1.00 0.19 O ATOM 169 CB GLU A 13 -2.784 -8.059 6.627 1.00 0.18 C ATOM 170 CG GLU A 13 -2.564 -9.449 6.112 1.00 0.23 C ATOM 171 CD GLU A 13 -1.489 -10.166 6.869 1.00 0.36 C ATOM 172 OE1 GLU A 13 -0.307 -10.017 6.546 1.00 0.52 O ATOM 173 OE2 GLU A 13 -1.816 -10.901 7.825 1.00 0.68 O ATOM 0 H GLU A 13 -2.471 -7.493 4.288 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.754 -7.889 5.867 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.844 -7.508 6.586 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.080 -8.107 7.675 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.494 -10.013 6.182 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.296 -9.406 5.056 1.00 0.23 H new ATOM 180 N ILE A 14 -3.282 -5.029 6.213 1.00 0.14 N ATOM 181 CA ILE A 14 -3.483 -3.668 6.722 1.00 0.17 C ATOM 182 C ILE A 14 -4.816 -3.096 6.181 1.00 0.18 C ATOM 183 O ILE A 14 -5.577 -2.420 6.892 1.00 0.22 O ATOM 184 CB ILE A 14 -2.320 -2.768 6.278 1.00 0.21 C ATOM 185 CG1 ILE A 14 -1.006 -3.361 6.767 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.504 -1.372 6.844 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.195 -2.840 6.051 1.00 0.25 C ATOM 0 H ILE A 14 -2.445 -5.149 5.642 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.520 -3.698 7.811 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.303 -2.707 5.190 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.900 -3.155 7.832 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -1.043 -4.444 6.654 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.676 -0.738 6.526 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.442 -0.953 6.481 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.526 -1.421 7.933 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.092 -3.309 6.455 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.113 -3.069 4.989 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.259 -1.760 6.185 1.00 0.25 H new ATOM 199 N VAL A 15 -5.115 -3.442 4.947 1.00 0.15 N ATOM 200 CA VAL A 15 -6.306 -2.975 4.275 1.00 0.17 C ATOM 201 C VAL A 15 -7.545 -3.711 4.811 1.00 0.18 C ATOM 202 O VAL A 15 -8.673 -3.212 4.726 1.00 0.22 O ATOM 203 CB VAL A 15 -6.182 -3.124 2.731 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.401 -2.616 2.029 1.00 0.27 C ATOM 205 CG2 VAL A 15 -4.978 -2.377 2.227 1.00 0.23 C ATOM 0 H VAL A 15 -4.534 -4.059 4.379 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.422 -1.912 4.486 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.075 -4.187 2.517 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.278 -2.736 0.953 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.273 -3.180 2.360 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.542 -1.561 2.262 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -4.905 -2.491 1.145 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.076 -1.320 2.475 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.079 -2.778 2.695 1.00 0.23 H new ATOM 215 N ASN A 16 -7.330 -4.885 5.366 1.00 0.16 N ATOM 216 CA ASN A 16 -8.410 -5.658 5.995 1.00 0.20 C ATOM 217 C ASN A 16 -8.825 -4.960 7.266 1.00 0.25 C ATOM 218 O ASN A 16 -10.002 -4.755 7.527 1.00 0.34 O ATOM 219 CB ASN A 16 -7.957 -7.080 6.406 1.00 0.20 C ATOM 220 CG ASN A 16 -7.302 -7.887 5.348 1.00 0.19 C ATOM 221 OD1 ASN A 16 -7.753 -7.779 4.168 1.00 0.21 O flip ATOM 222 ND2 ASN A 16 -6.424 -8.685 5.627 1.00 0.27 N flip ATOM 0 H ASN A 16 -6.416 -5.337 5.400 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.217 -5.733 5.266 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.268 -6.991 7.246 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.828 -7.627 6.765 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -6.080 -8.750 6.585 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -6.033 -9.287 4.902 1.00 0.27 H new ATOM 229 N GLU A 17 -7.832 -4.574 8.038 1.00 0.26 N ATOM 230 CA GLU A 17 -8.048 -4.005 9.345 1.00 0.35 C ATOM 231 C GLU A 17 -8.528 -2.555 9.306 1.00 0.38 C ATOM 232 O GLU A 17 -9.507 -2.216 9.960 1.00 0.47 O ATOM 233 CB GLU A 17 -6.796 -4.162 10.200 1.00 0.41 C ATOM 234 CG GLU A 17 -6.376 -5.615 10.350 1.00 0.46 C ATOM 235 CD GLU A 17 -5.222 -5.811 11.291 1.00 1.22 C ATOM 236 OE1 GLU A 17 -5.433 -5.871 12.511 1.00 1.35 O ATOM 237 OE2 GLU A 17 -4.060 -5.874 10.815 1.00 2.07 O ATOM 0 H GLU A 17 -6.850 -4.647 7.773 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.863 -4.565 9.805 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.980 -3.595 9.752 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.977 -3.735 11.186 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -7.227 -6.196 10.705 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -6.107 -6.010 9.370 1.00 0.46 H new ATOM 244 N ILE A 18 -7.857 -1.710 8.547 1.00 0.32 N ATOM 245 CA ILE A 18 -8.225 -0.301 8.488 1.00 0.38 C ATOM 246 C ILE A 18 -9.491 -0.061 7.640 1.00 0.39 C ATOM 247 O ILE A 18 -10.430 0.609 8.082 1.00 0.43 O ATOM 248 CB ILE A 18 -7.056 0.557 7.975 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.837 0.260 8.841 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.417 2.040 8.059 1.00 0.65 C ATOM 251 CD1 ILE A 18 -4.661 1.128 8.560 1.00 0.58 C ATOM 0 H ILE A 18 -7.060 -1.968 7.965 1.00 0.32 H new ATOM 0 HA ILE A 18 -8.457 0.006 9.508 1.00 0.38 H new ATOM 0 HB ILE A 18 -6.842 0.320 6.933 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -6.114 0.372 9.889 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -5.548 -0.781 8.697 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.583 2.639 7.694 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.299 2.235 7.448 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.627 2.305 9.095 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -3.838 0.851 9.219 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -4.354 1.000 7.522 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -4.929 2.170 8.733 1.00 0.58 H new ATOM 263 N ALA A 19 -9.513 -0.585 6.434 1.00 0.39 N ATOM 264 CA ALA A 19 -10.664 -0.385 5.569 1.00 0.44 C ATOM 265 C ALA A 19 -11.663 -1.515 5.748 1.00 0.41 C ATOM 266 O ALA A 19 -12.687 -1.354 6.401 1.00 0.54 O ATOM 267 CB ALA A 19 -10.236 -0.266 4.117 1.00 0.48 C ATOM 0 H ALA A 19 -8.762 -1.145 6.031 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.148 0.550 5.852 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.115 -0.117 3.490 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -9.562 0.583 4.005 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -9.724 -1.179 3.813 1.00 0.48 H new ATOM 273 N GLY A 20 -11.337 -2.645 5.194 1.00 0.34 N ATOM 274 CA GLY A 20 -12.178 -3.812 5.320 1.00 0.33 C ATOM 275 C GLY A 20 -12.141 -4.681 4.102 1.00 0.32 C ATOM 276 O GLY A 20 -13.163 -5.194 3.653 1.00 0.43 O ATOM 0 H GLY A 20 -10.489 -2.790 4.645 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.860 -4.393 6.186 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.205 -3.497 5.506 1.00 0.33 H new ATOM 280 N ILE A 21 -10.976 -4.845 3.554 1.00 0.27 N ATOM 281 CA ILE A 21 -10.802 -5.707 2.415 1.00 0.26 C ATOM 282 C ILE A 21 -10.683 -7.147 2.895 1.00 0.25 C ATOM 283 O ILE A 21 -10.303 -7.371 4.012 1.00 0.24 O ATOM 284 CB ILE A 21 -9.583 -5.246 1.533 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.048 -4.305 0.401 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.711 -6.388 0.998 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.732 -3.033 0.871 1.00 0.29 C ATOM 0 H ILE A 21 -10.122 -4.391 3.877 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.674 -5.643 1.764 1.00 0.26 H new ATOM 0 HB ILE A 21 -8.928 -4.693 2.207 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.183 -4.033 -0.205 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.733 -4.851 -0.248 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.897 -5.976 0.402 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.299 -6.953 1.834 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.317 -7.048 0.377 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.023 -2.436 0.007 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.619 -3.290 1.450 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.045 -2.459 1.494 1.00 0.29 H new ATOM 299 N PRO A 22 -11.096 -8.108 2.094 1.00 0.29 N ATOM 300 CA PRO A 22 -11.002 -9.558 2.406 1.00 0.35 C ATOM 301 C PRO A 22 -9.656 -10.210 2.003 1.00 0.45 C ATOM 302 O PRO A 22 -9.627 -11.364 1.607 1.00 1.08 O ATOM 303 CB PRO A 22 -12.087 -10.142 1.517 1.00 0.37 C ATOM 304 CG PRO A 22 -12.833 -8.978 0.976 1.00 0.44 C ATOM 305 CD PRO A 22 -11.835 -7.902 0.870 1.00 0.34 C ATOM 0 HA PRO A 22 -11.095 -9.731 3.478 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.656 -10.738 0.713 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.746 -10.800 2.084 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -13.271 -9.207 0.005 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.652 -8.693 1.636 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -11.208 -8.004 -0.015 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.293 -6.914 0.824 1.00 0.34 H new ATOM 313 N VAL A 23 -8.582 -9.451 2.093 1.00 0.39 N ATOM 314 CA VAL A 23 -7.154 -9.864 1.846 1.00 0.32 C ATOM 315 C VAL A 23 -6.817 -10.382 0.423 1.00 0.42 C ATOM 316 O VAL A 23 -5.674 -10.327 -0.001 1.00 0.81 O ATOM 317 CB VAL A 23 -6.530 -10.766 3.007 1.00 0.31 C ATOM 318 CG1 VAL A 23 -7.098 -12.168 3.067 1.00 0.41 C ATOM 319 CG2 VAL A 23 -5.011 -10.805 2.981 1.00 0.33 C ATOM 0 H VAL A 23 -8.652 -8.467 2.354 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.634 -8.907 1.886 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.834 -10.262 3.924 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.625 -12.718 3.880 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -8.173 -12.118 3.240 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.906 -12.679 2.124 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.649 -11.434 3.794 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.674 -11.214 2.029 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.619 -9.795 3.101 1.00 0.33 H new ATOM 329 N GLU A 24 -7.802 -10.774 -0.332 1.00 0.33 N ATOM 330 CA GLU A 24 -7.564 -11.286 -1.670 1.00 0.40 C ATOM 331 C GLU A 24 -7.753 -10.222 -2.717 1.00 0.34 C ATOM 332 O GLU A 24 -7.411 -10.421 -3.875 1.00 0.44 O ATOM 333 CB GLU A 24 -8.481 -12.443 -1.962 1.00 0.57 C ATOM 334 CG GLU A 24 -8.227 -13.658 -1.116 1.00 1.36 C ATOM 335 CD GLU A 24 -9.177 -14.761 -1.440 1.00 1.86 C ATOM 336 OE1 GLU A 24 -8.927 -15.507 -2.405 1.00 2.20 O ATOM 337 OE2 GLU A 24 -10.200 -14.894 -0.746 1.00 2.31 O ATOM 0 H GLU A 24 -8.783 -10.753 -0.053 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.528 -11.621 -1.706 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -9.512 -12.121 -1.816 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -8.379 -12.717 -3.012 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -7.204 -14.001 -1.269 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -8.320 -13.394 -0.062 1.00 1.36 H new ATOM 344 N ASP A 25 -8.309 -9.103 -2.326 1.00 0.28 N ATOM 345 CA ASP A 25 -8.574 -8.021 -3.281 1.00 0.29 C ATOM 346 C ASP A 25 -7.338 -7.251 -3.548 1.00 0.25 C ATOM 347 O ASP A 25 -7.116 -6.776 -4.653 1.00 0.28 O ATOM 348 CB ASP A 25 -9.671 -7.076 -2.790 1.00 0.35 C ATOM 349 CG ASP A 25 -11.027 -7.698 -2.842 1.00 0.94 C ATOM 350 OD1 ASP A 25 -11.321 -8.543 -2.000 1.00 1.59 O ATOM 351 OD2 ASP A 25 -11.806 -7.377 -3.760 1.00 1.57 O ATOM 0 H ASP A 25 -8.590 -8.904 -1.366 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.921 -8.488 -4.203 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -9.453 -6.773 -1.766 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.666 -6.172 -3.398 1.00 0.35 H new ATOM 356 N VAL A 26 -6.520 -7.153 -2.535 1.00 0.23 N ATOM 357 CA VAL A 26 -5.284 -6.384 -2.626 1.00 0.22 C ATOM 358 C VAL A 26 -4.265 -7.120 -3.485 1.00 0.25 C ATOM 359 O VAL A 26 -3.582 -8.039 -3.013 1.00 0.30 O ATOM 360 CB VAL A 26 -4.680 -6.104 -1.228 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.455 -5.206 -1.324 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.704 -5.476 -0.318 1.00 0.27 C ATOM 0 H VAL A 26 -6.678 -7.594 -1.629 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.528 -5.428 -3.088 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.373 -7.062 -0.808 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.055 -5.029 -0.326 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.696 -5.690 -1.938 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.736 -4.255 -1.777 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.257 -5.288 0.658 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.044 -4.534 -0.748 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.553 -6.151 -0.205 1.00 0.27 H new ATOM 372 N LYS A 27 -4.255 -6.794 -4.755 1.00 0.28 N ATOM 373 CA LYS A 27 -3.309 -7.331 -5.689 1.00 0.35 C ATOM 374 C LYS A 27 -2.632 -6.167 -6.330 1.00 0.37 C ATOM 375 O LYS A 27 -3.093 -5.034 -6.179 1.00 0.72 O ATOM 376 CB LYS A 27 -4.029 -8.165 -6.762 1.00 0.40 C ATOM 377 CG LYS A 27 -4.739 -9.389 -6.222 1.00 0.83 C ATOM 378 CD LYS A 27 -3.758 -10.395 -5.633 1.00 1.13 C ATOM 379 CE LYS A 27 -4.478 -11.550 -4.951 1.00 1.15 C ATOM 380 NZ LYS A 27 -5.361 -12.302 -5.869 1.00 1.58 N ATOM 0 H LYS A 27 -4.916 -6.138 -5.170 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.594 -7.981 -5.184 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -4.756 -7.532 -7.271 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.302 -8.481 -7.510 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -5.454 -9.087 -5.457 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -5.309 -9.862 -7.022 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -3.116 -10.783 -6.424 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -3.111 -9.894 -4.913 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -3.740 -12.231 -4.526 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -5.070 -11.163 -4.122 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -5.758 -13.125 -5.372 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -6.134 -11.685 -6.190 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -4.812 -12.626 -6.691 1.00 1.58 H new ATOM 394 N LEU A 28 -1.573 -6.399 -7.042 1.00 0.24 N ATOM 395 CA LEU A 28 -0.923 -5.337 -7.728 1.00 0.22 C ATOM 396 C LEU A 28 -1.834 -4.869 -8.821 1.00 0.23 C ATOM 397 O LEU A 28 -2.689 -5.637 -9.275 1.00 0.31 O ATOM 398 CB LEU A 28 0.454 -5.722 -8.296 1.00 0.27 C ATOM 399 CG LEU A 28 1.542 -6.079 -7.283 1.00 0.43 C ATOM 400 CD1 LEU A 28 1.431 -7.517 -6.828 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.909 -5.779 -7.846 1.00 1.05 C ATOM 0 H LEU A 28 -1.144 -7.317 -7.161 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.725 -4.540 -7.011 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.320 -6.572 -8.965 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.815 -4.892 -8.904 1.00 0.27 H new ATOM 0 HG LEU A 28 1.397 -5.456 -6.400 1.00 0.43 H new ATOM 0 HD11 LEU A 28 2.221 -7.733 -6.109 1.00 1.05 H new ATOM 0 HD12 LEU A 28 0.460 -7.676 -6.359 1.00 1.05 H new ATOM 0 HD13 LEU A 28 1.532 -8.179 -7.688 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.670 -6.039 -7.111 1.00 1.05 H new ATOM 0 HD22 LEU A 28 3.065 -6.363 -8.753 1.00 1.05 H new ATOM 0 HD23 LEU A 28 2.980 -4.717 -8.082 1.00 1.05 H new ATOM 413 N ASP A 29 -1.720 -3.601 -9.167 1.00 0.24 N ATOM 414 CA ASP A 29 -2.552 -2.964 -10.211 1.00 0.31 C ATOM 415 C ASP A 29 -3.944 -2.682 -9.653 1.00 0.28 C ATOM 416 O ASP A 29 -4.871 -2.341 -10.362 1.00 0.38 O ATOM 417 CB ASP A 29 -2.601 -3.829 -11.504 1.00 0.42 C ATOM 418 CG ASP A 29 -3.331 -3.198 -12.666 1.00 0.60 C ATOM 419 OD1 ASP A 29 -2.843 -2.189 -13.216 1.00 0.72 O ATOM 420 OD2 ASP A 29 -4.363 -3.739 -13.100 1.00 0.70 O ATOM 0 H ASP A 29 -1.047 -2.966 -8.738 1.00 0.24 H new ATOM 0 HA ASP A 29 -2.100 -2.014 -10.496 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.580 -4.051 -11.813 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.077 -4.781 -11.269 1.00 0.42 H new ATOM 425 N LYS A 30 -4.075 -2.790 -8.346 1.00 0.19 N ATOM 426 CA LYS A 30 -5.325 -2.494 -7.718 1.00 0.20 C ATOM 427 C LYS A 30 -5.215 -1.286 -6.909 1.00 0.20 C ATOM 428 O LYS A 30 -4.372 -1.190 -6.032 1.00 0.24 O ATOM 429 CB LYS A 30 -5.846 -3.577 -6.836 1.00 0.28 C ATOM 430 CG LYS A 30 -6.116 -4.883 -7.520 1.00 0.36 C ATOM 431 CD LYS A 30 -7.181 -4.711 -8.583 1.00 0.45 C ATOM 432 CE LYS A 30 -7.356 -5.958 -9.404 1.00 0.79 C ATOM 433 NZ LYS A 30 -8.216 -5.712 -10.588 1.00 1.48 N ATOM 0 H LYS A 30 -3.331 -3.079 -7.711 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.026 -2.371 -8.544 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.128 -3.747 -6.034 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.769 -3.232 -6.370 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.199 -5.260 -7.972 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.439 -5.624 -6.789 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.128 -4.451 -8.110 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -6.912 -3.881 -9.236 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -6.381 -6.320 -9.730 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -7.798 -6.741 -8.788 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -8.317 -6.592 -11.133 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -9.154 -5.390 -10.275 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -7.781 -4.982 -11.187 1.00 1.48 H new ATOM 447 N SER A 31 -6.052 -0.403 -7.184 1.00 0.20 N ATOM 448 CA SER A 31 -6.120 0.847 -6.509 1.00 0.34 C ATOM 449 C SER A 31 -6.851 0.640 -5.206 1.00 0.53 C ATOM 450 O SER A 31 -8.026 0.304 -5.202 1.00 1.25 O ATOM 451 CB SER A 31 -6.875 1.860 -7.361 1.00 0.36 C ATOM 452 OG SER A 31 -6.384 1.887 -8.693 1.00 0.86 O ATOM 0 H SER A 31 -6.754 -0.510 -7.916 1.00 0.20 H new ATOM 0 HA SER A 31 -5.115 1.226 -6.326 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.936 1.612 -7.368 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.782 2.851 -6.918 1.00 0.36 H new ATOM 0 HG SER A 31 -6.780 1.150 -9.203 1.00 0.86 H new ATOM 458 N PHE A 32 -6.149 0.767 -4.132 1.00 0.29 N ATOM 459 CA PHE A 32 -6.699 0.645 -2.803 1.00 0.28 C ATOM 460 C PHE A 32 -7.977 1.490 -2.668 1.00 0.26 C ATOM 461 O PHE A 32 -9.050 0.980 -2.396 1.00 0.40 O ATOM 462 CB PHE A 32 -5.705 1.128 -1.760 1.00 0.40 C ATOM 463 CG PHE A 32 -4.358 0.459 -1.677 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.196 -0.698 -0.947 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.273 0.954 -2.375 1.00 0.35 C ATOM 466 CE1 PHE A 32 -2.985 -1.341 -0.906 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.064 0.314 -2.338 1.00 0.34 C ATOM 468 CZ PHE A 32 -1.860 -0.701 -1.450 1.00 0.36 C ATOM 0 H PHE A 32 -5.148 0.964 -4.142 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.925 -0.409 -2.641 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.536 2.191 -1.933 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.180 1.036 -0.783 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -5.034 -1.104 -0.400 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.381 1.857 -2.957 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -2.898 -2.322 -0.463 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.273 0.612 -3.010 1.00 0.34 H new ATOM 0 HZ PHE A 32 -0.861 -1.004 -1.173 1.00 0.36 H new ATOM 478 N THR A 33 -7.861 2.744 -2.958 1.00 0.28 N ATOM 479 CA THR A 33 -8.946 3.695 -2.802 1.00 0.36 C ATOM 480 C THR A 33 -9.913 3.709 -4.029 1.00 0.45 C ATOM 481 O THR A 33 -10.612 4.695 -4.265 1.00 1.06 O ATOM 482 CB THR A 33 -8.351 5.113 -2.546 1.00 0.61 C ATOM 483 OG1 THR A 33 -9.366 6.077 -2.259 1.00 1.01 O ATOM 484 CG2 THR A 33 -7.529 5.565 -3.745 1.00 0.78 C ATOM 0 H THR A 33 -7.001 3.158 -3.317 1.00 0.28 H new ATOM 0 HA THR A 33 -9.546 3.386 -1.946 1.00 0.36 H new ATOM 0 HB THR A 33 -7.707 5.041 -1.670 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.140 5.920 -2.839 1.00 1.01 H new ATOM 0 HG21 THR A 33 -7.120 6.557 -3.552 1.00 0.78 H new ATOM 0 HG22 THR A 33 -6.713 4.862 -3.913 1.00 0.78 H new ATOM 0 HG23 THR A 33 -8.165 5.601 -4.630 1.00 0.78 H new ATOM 492 N ASP A 34 -9.996 2.601 -4.760 1.00 0.32 N ATOM 493 CA ASP A 34 -10.904 2.540 -5.916 1.00 0.34 C ATOM 494 C ASP A 34 -11.291 1.101 -6.239 1.00 0.35 C ATOM 495 O ASP A 34 -12.444 0.712 -6.139 1.00 0.50 O ATOM 496 CB ASP A 34 -10.261 3.204 -7.144 1.00 0.38 C ATOM 497 CG ASP A 34 -11.156 3.207 -8.361 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.203 2.200 -9.090 1.00 1.74 O ATOM 499 OD2 ASP A 34 -11.803 4.233 -8.630 1.00 1.04 O ATOM 0 H ASP A 34 -9.463 1.749 -4.584 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.811 3.086 -5.655 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.995 4.231 -6.895 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -9.334 2.684 -7.385 1.00 0.38 H new ATOM 504 N ASP A 35 -10.293 0.320 -6.579 1.00 0.30 N ATOM 505 CA ASP A 35 -10.435 -1.092 -6.945 1.00 0.32 C ATOM 506 C ASP A 35 -10.782 -1.919 -5.732 1.00 0.35 C ATOM 507 O ASP A 35 -11.568 -2.863 -5.801 1.00 0.52 O ATOM 508 CB ASP A 35 -9.109 -1.625 -7.529 1.00 0.31 C ATOM 509 CG ASP A 35 -8.816 -1.213 -8.954 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.398 -1.766 -9.877 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.956 -0.331 -9.165 1.00 1.10 O ATOM 0 H ASP A 35 -9.328 0.647 -6.613 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.231 -1.169 -7.686 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.290 -1.286 -6.895 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.121 -2.714 -7.479 1.00 0.31 H new ATOM 516 N LEU A 36 -10.161 -1.581 -4.631 1.00 0.30 N ATOM 517 CA LEU A 36 -10.376 -2.294 -3.390 1.00 0.33 C ATOM 518 C LEU A 36 -11.536 -1.707 -2.630 1.00 0.39 C ATOM 519 O LEU A 36 -12.414 -2.433 -2.156 1.00 0.81 O ATOM 520 CB LEU A 36 -9.161 -2.166 -2.505 1.00 0.33 C ATOM 521 CG LEU A 36 -7.825 -2.536 -3.066 1.00 0.33 C ATOM 522 CD1 LEU A 36 -6.873 -2.636 -1.929 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.881 -3.816 -3.841 1.00 0.36 C ATOM 0 H LEU A 36 -9.496 -0.810 -4.565 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.574 -3.336 -3.642 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.104 -1.131 -2.169 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.330 -2.779 -1.620 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.496 -1.772 -3.771 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -5.886 -2.905 -2.304 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -6.817 -1.676 -1.416 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.217 -3.400 -1.232 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.890 -4.049 -4.231 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.212 -4.623 -3.187 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.581 -3.709 -4.669 1.00 0.36 H new ATOM 535 N ASP A 37 -11.467 -0.386 -2.483 1.00 0.35 N ATOM 536 CA ASP A 37 -12.400 0.460 -1.759 1.00 0.45 C ATOM 537 C ASP A 37 -11.922 0.699 -0.357 1.00 0.39 C ATOM 538 O ASP A 37 -12.385 0.096 0.624 1.00 0.87 O ATOM 539 CB ASP A 37 -13.870 0.050 -1.804 1.00 0.79 C ATOM 540 CG ASP A 37 -14.769 1.076 -1.118 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.114 2.099 -1.758 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.116 0.904 0.071 1.00 0.99 O ATOM 0 H ASP A 37 -10.706 0.153 -2.896 1.00 0.35 H new ATOM 0 HA ASP A 37 -12.397 1.400 -2.311 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.182 -0.070 -2.842 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -13.991 -0.920 -1.321 1.00 0.79 H new ATOM 547 N VAL A 38 -10.869 1.429 -0.296 1.00 0.38 N ATOM 548 CA VAL A 38 -10.366 1.933 0.936 1.00 0.37 C ATOM 549 C VAL A 38 -10.794 3.367 1.018 1.00 0.48 C ATOM 550 O VAL A 38 -10.619 4.109 0.069 1.00 0.79 O ATOM 551 CB VAL A 38 -8.840 1.849 1.017 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.363 2.331 2.385 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.384 0.433 0.769 1.00 0.43 C ATOM 0 H VAL A 38 -10.321 1.700 -1.112 1.00 0.38 H new ATOM 0 HA VAL A 38 -10.756 1.337 1.761 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.408 2.491 0.250 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.276 2.268 2.434 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.674 3.365 2.535 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.798 1.705 3.164 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.297 0.385 0.829 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -8.818 -0.226 1.521 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -8.707 0.115 -0.222 1.00 0.43 H new ATOM 563 N ASP A 39 -11.328 3.733 2.152 1.00 0.39 N ATOM 564 CA ASP A 39 -11.984 5.042 2.418 1.00 0.55 C ATOM 565 C ASP A 39 -11.085 6.307 2.301 1.00 0.67 C ATOM 566 O ASP A 39 -11.448 7.368 2.820 1.00 1.53 O ATOM 567 CB ASP A 39 -12.587 4.994 3.804 1.00 0.64 C ATOM 568 CG ASP A 39 -13.549 3.840 3.984 1.00 1.28 C ATOM 569 OD1 ASP A 39 -14.637 3.835 3.357 1.00 1.51 O ATOM 570 OD2 ASP A 39 -13.214 2.900 4.739 1.00 2.00 O ATOM 0 H ASP A 39 -11.332 3.121 2.968 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.724 5.160 1.627 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -11.788 4.913 4.541 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -13.109 5.930 4.001 1.00 0.64 H new ATOM 575 N SER A 40 -9.975 6.206 1.594 1.00 0.45 N ATOM 576 CA SER A 40 -9.003 7.289 1.358 1.00 0.37 C ATOM 577 C SER A 40 -8.313 7.861 2.603 1.00 0.34 C ATOM 578 O SER A 40 -7.094 7.848 2.685 1.00 0.46 O ATOM 579 CB SER A 40 -9.568 8.387 0.503 1.00 0.51 C ATOM 580 OG SER A 40 -8.628 9.482 0.479 1.00 0.78 O ATOM 0 H SER A 40 -9.702 5.333 1.143 1.00 0.45 H new ATOM 0 HA SER A 40 -8.206 6.786 0.810 1.00 0.37 H new ATOM 0 HB2 SER A 40 -9.751 8.023 -0.508 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.527 8.720 0.900 1.00 0.51 H new ATOM 585 N LEU A 41 -9.065 8.365 3.555 1.00 0.32 N ATOM 586 CA LEU A 41 -8.474 8.967 4.743 1.00 0.36 C ATOM 587 C LEU A 41 -7.696 7.910 5.534 1.00 0.33 C ATOM 588 O LEU A 41 -6.684 8.187 6.163 1.00 0.41 O ATOM 589 CB LEU A 41 -9.564 9.678 5.600 1.00 0.51 C ATOM 590 CG LEU A 41 -10.764 8.839 6.113 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.432 8.068 7.386 1.00 1.15 C ATOM 592 CD2 LEU A 41 -11.981 9.715 6.319 1.00 1.18 C ATOM 0 H LEU A 41 -10.085 8.373 3.536 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.763 9.737 4.444 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -9.070 10.116 6.468 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.964 10.503 5.010 1.00 0.51 H new ATOM 0 HG LEU A 41 -10.989 8.101 5.343 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.305 7.497 7.704 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -9.603 7.387 7.193 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.150 8.768 8.172 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.811 9.106 6.679 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.753 10.488 7.053 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -12.257 10.182 5.374 1.00 1.18 H new ATOM 604 N SER A 42 -8.166 6.692 5.413 1.00 0.31 N ATOM 605 CA SER A 42 -7.615 5.532 6.050 1.00 0.33 C ATOM 606 C SER A 42 -6.324 5.096 5.354 1.00 0.27 C ATOM 607 O SER A 42 -5.479 4.438 5.943 1.00 0.26 O ATOM 608 CB SER A 42 -8.629 4.450 5.853 1.00 0.45 C ATOM 609 OG SER A 42 -9.927 4.988 5.989 1.00 0.60 O ATOM 0 H SER A 42 -8.982 6.478 4.839 1.00 0.31 H new ATOM 0 HA SER A 42 -7.393 5.734 7.098 1.00 0.33 H new ATOM 0 HB2 SER A 42 -8.511 4.003 4.866 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.475 3.656 6.584 1.00 0.45 H new ATOM 0 HG SER A 42 -10.562 4.266 6.177 1.00 0.60 H new ATOM 615 N MET A 43 -6.187 5.499 4.105 1.00 0.27 N ATOM 616 CA MET A 43 -5.098 5.093 3.245 1.00 0.31 C ATOM 617 C MET A 43 -3.785 5.487 3.781 1.00 0.25 C ATOM 618 O MET A 43 -2.875 4.690 3.781 1.00 0.28 O ATOM 619 CB MET A 43 -5.257 5.668 1.861 1.00 0.46 C ATOM 620 CG MET A 43 -6.346 5.059 1.021 1.00 0.73 C ATOM 621 SD MET A 43 -5.816 3.612 0.100 1.00 0.86 S ATOM 622 CE MET A 43 -5.081 2.550 1.346 1.00 0.40 C ATOM 0 H MET A 43 -6.846 6.132 3.652 1.00 0.27 H new ATOM 0 HA MET A 43 -5.137 4.005 3.197 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.449 6.737 1.952 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.311 5.558 1.331 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.180 4.784 1.666 1.00 0.73 H new ATOM 0 HG3 MET A 43 -6.717 5.809 0.322 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.114 1.515 1.007 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.045 2.845 1.510 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.637 2.644 2.279 1.00 0.40 H new ATOM 632 N VAL A 44 -3.695 6.704 4.270 1.00 0.22 N ATOM 633 CA VAL A 44 -2.444 7.219 4.798 1.00 0.22 C ATOM 634 C VAL A 44 -1.931 6.323 5.964 1.00 0.21 C ATOM 635 O VAL A 44 -0.731 6.039 6.062 1.00 0.26 O ATOM 636 CB VAL A 44 -2.584 8.692 5.250 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.254 9.241 5.769 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.085 9.536 4.092 1.00 0.30 C ATOM 0 H VAL A 44 -4.475 7.360 4.314 1.00 0.22 H new ATOM 0 HA VAL A 44 -1.707 7.193 3.996 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.304 8.734 6.068 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.385 10.278 6.079 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -0.922 8.647 6.620 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.506 9.190 4.978 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.183 10.573 4.413 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.377 9.477 3.266 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.056 9.165 3.764 1.00 0.30 H new ATOM 648 N GLU A 45 -2.869 5.812 6.783 1.00 0.19 N ATOM 649 CA GLU A 45 -2.536 4.907 7.889 1.00 0.18 C ATOM 650 C GLU A 45 -1.956 3.622 7.313 1.00 0.20 C ATOM 651 O GLU A 45 -0.945 3.106 7.785 1.00 0.25 O ATOM 652 CB GLU A 45 -3.794 4.524 8.657 1.00 0.17 C ATOM 653 CG GLU A 45 -4.589 5.652 9.264 1.00 0.29 C ATOM 654 CD GLU A 45 -3.882 6.353 10.395 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.740 5.764 11.474 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.423 7.505 10.206 1.00 0.58 O ATOM 0 H GLU A 45 -3.865 6.014 6.696 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.829 5.410 8.549 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.448 3.971 7.983 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.509 3.840 9.457 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -4.822 6.380 8.487 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.539 5.260 9.629 1.00 0.29 H new ATOM 663 N VAL A 46 -2.610 3.138 6.258 1.00 0.19 N ATOM 664 CA VAL A 46 -2.248 1.905 5.551 1.00 0.22 C ATOM 665 C VAL A 46 -0.842 2.011 4.937 1.00 0.20 C ATOM 666 O VAL A 46 -0.135 1.023 4.794 1.00 0.23 O ATOM 667 CB VAL A 46 -3.290 1.592 4.417 1.00 0.31 C ATOM 668 CG1 VAL A 46 -2.976 0.304 3.692 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.712 1.556 4.955 1.00 0.63 C ATOM 0 H VAL A 46 -3.426 3.602 5.860 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.253 1.094 6.280 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.213 2.408 3.699 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.724 0.131 2.918 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -1.989 0.375 3.234 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -2.988 -0.524 4.400 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.403 1.337 4.141 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.793 0.782 5.718 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -4.960 2.523 5.392 1.00 0.63 H new ATOM 679 N VAL A 47 -0.428 3.225 4.678 1.00 0.17 N ATOM 680 CA VAL A 47 0.854 3.497 4.035 1.00 0.18 C ATOM 681 C VAL A 47 1.908 3.330 5.060 1.00 0.19 C ATOM 682 O VAL A 47 2.840 2.552 4.879 1.00 0.21 O ATOM 683 CB VAL A 47 0.950 4.949 3.503 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.270 5.173 2.803 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.185 5.286 2.582 1.00 0.54 C ATOM 0 H VAL A 47 -0.965 4.063 4.904 1.00 0.17 H new ATOM 0 HA VAL A 47 0.965 2.816 3.191 1.00 0.18 H new ATOM 0 HB VAL A 47 0.885 5.612 4.366 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.318 6.198 2.437 1.00 0.55 H new ATOM 0 HG12 VAL A 47 3.087 4.999 3.503 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.358 4.483 1.964 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.078 6.313 2.233 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.173 4.609 1.728 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.130 5.181 3.115 1.00 0.54 H new ATOM 695 N VAL A 48 1.744 4.071 6.140 1.00 0.19 N ATOM 696 CA VAL A 48 2.660 4.031 7.246 1.00 0.23 C ATOM 697 C VAL A 48 2.751 2.603 7.760 1.00 0.23 C ATOM 698 O VAL A 48 3.830 2.101 7.984 1.00 0.35 O ATOM 699 CB VAL A 48 2.205 4.994 8.379 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.182 4.972 9.549 1.00 0.42 C ATOM 701 CG2 VAL A 48 2.062 6.412 7.839 1.00 0.33 C ATOM 0 H VAL A 48 0.966 4.718 6.268 1.00 0.19 H new ATOM 0 HA VAL A 48 3.643 4.361 6.911 1.00 0.23 H new ATOM 0 HB VAL A 48 1.236 4.652 8.743 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.836 5.655 10.325 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.241 3.962 9.955 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.169 5.283 9.205 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.743 7.077 8.642 1.00 0.33 H new ATOM 0 HG22 VAL A 48 3.021 6.751 7.447 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.319 6.424 7.041 1.00 0.33 H new ATOM 711 N ALA A 49 1.607 1.918 7.823 1.00 0.18 N ATOM 712 CA ALA A 49 1.564 0.584 8.326 1.00 0.18 C ATOM 713 C ALA A 49 2.335 -0.358 7.416 1.00 0.17 C ATOM 714 O ALA A 49 2.993 -1.306 7.875 1.00 0.21 O ATOM 715 CB ALA A 49 0.139 0.119 8.509 1.00 0.20 C ATOM 0 H ALA A 49 0.704 2.287 7.525 1.00 0.18 H new ATOM 0 HA ALA A 49 2.043 0.575 9.305 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.136 -0.901 8.893 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.370 0.775 9.216 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.379 0.147 7.550 1.00 0.20 H new ATOM 721 N ALA A 50 2.267 -0.081 6.129 1.00 0.16 N ATOM 722 CA ALA A 50 2.966 -0.845 5.144 1.00 0.18 C ATOM 723 C ALA A 50 4.465 -0.618 5.284 1.00 0.18 C ATOM 724 O ALA A 50 5.218 -1.560 5.534 1.00 0.21 O ATOM 725 CB ALA A 50 2.474 -0.488 3.734 1.00 0.18 C ATOM 0 H ALA A 50 1.718 0.689 5.746 1.00 0.16 H new ATOM 0 HA ALA A 50 2.764 -1.904 5.303 1.00 0.18 H new ATOM 0 HB1 ALA A 50 3.018 -1.080 2.998 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.408 -0.702 3.656 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.646 0.572 3.546 1.00 0.18 H new ATOM 731 N GLU A 51 4.890 0.622 5.199 1.00 0.18 N ATOM 732 CA GLU A 51 6.302 0.936 5.259 1.00 0.23 C ATOM 733 C GLU A 51 6.958 0.556 6.585 1.00 0.23 C ATOM 734 O GLU A 51 8.105 0.114 6.596 1.00 0.30 O ATOM 735 CB GLU A 51 6.606 2.361 4.776 1.00 0.29 C ATOM 736 CG GLU A 51 5.800 3.480 5.367 1.00 0.31 C ATOM 737 CD GLU A 51 6.535 4.297 6.384 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.718 3.856 7.527 1.00 0.51 O ATOM 739 OE2 GLU A 51 6.933 5.417 6.041 1.00 0.64 O ATOM 0 H GLU A 51 4.279 1.431 5.088 1.00 0.18 H new ATOM 0 HA GLU A 51 6.793 0.283 4.537 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.659 2.565 4.972 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.472 2.385 3.694 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.466 4.136 4.563 1.00 0.31 H new ATOM 0 HG3 GLU A 51 4.906 3.063 5.830 1.00 0.31 H new ATOM 746 N GLU A 52 6.221 0.662 7.680 1.00 0.22 N ATOM 747 CA GLU A 52 6.709 0.194 8.969 1.00 0.26 C ATOM 748 C GLU A 52 7.027 -1.299 8.907 1.00 0.24 C ATOM 749 O GLU A 52 8.145 -1.712 9.193 1.00 0.35 O ATOM 750 CB GLU A 52 5.703 0.460 10.094 1.00 0.33 C ATOM 751 CG GLU A 52 5.534 1.918 10.464 1.00 0.46 C ATOM 752 CD GLU A 52 4.584 2.100 11.625 1.00 1.20 C ATOM 753 OE1 GLU A 52 3.383 1.796 11.475 1.00 1.50 O ATOM 754 OE2 GLU A 52 4.993 2.601 12.693 1.00 2.07 O ATOM 0 H GLU A 52 5.285 1.067 7.703 1.00 0.22 H new ATOM 0 HA GLU A 52 7.618 0.753 9.192 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.733 0.061 9.797 1.00 0.33 H new ATOM 0 HB3 GLU A 52 6.017 -0.091 10.981 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.505 2.342 10.720 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.162 2.470 9.601 1.00 0.46 H new ATOM 761 N ARG A 53 6.061 -2.089 8.465 1.00 0.18 N ATOM 762 CA ARG A 53 6.217 -3.536 8.406 1.00 0.21 C ATOM 763 C ARG A 53 7.286 -3.974 7.382 1.00 0.24 C ATOM 764 O ARG A 53 8.159 -4.788 7.693 1.00 0.37 O ATOM 765 CB ARG A 53 4.875 -4.219 8.079 1.00 0.25 C ATOM 766 CG ARG A 53 4.997 -5.728 7.925 1.00 0.41 C ATOM 767 CD ARG A 53 3.704 -6.389 7.481 1.00 0.49 C ATOM 768 NE ARG A 53 3.941 -7.779 7.059 1.00 1.36 N ATOM 769 CZ ARG A 53 2.999 -8.710 6.859 1.00 1.55 C ATOM 770 NH1 ARG A 53 1.766 -8.530 7.329 1.00 1.19 N ATOM 771 NH2 ARG A 53 3.311 -9.849 6.263 1.00 2.48 N ATOM 0 H ARG A 53 5.155 -1.751 8.140 1.00 0.18 H new ATOM 0 HA ARG A 53 6.555 -3.851 9.393 1.00 0.21 H new ATOM 0 HB2 ARG A 53 4.159 -3.997 8.870 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.474 -3.797 7.158 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.779 -5.951 7.200 1.00 0.41 H new ATOM 0 HG3 ARG A 53 5.311 -6.160 8.875 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.983 -6.371 8.298 1.00 0.49 H new ATOM 0 HD3 ARG A 53 3.267 -5.824 6.657 1.00 0.49 H new ATOM 0 HE ARG A 53 4.910 -8.058 6.905 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.535 -7.680 7.844 1.00 1.19 H new ATOM 0 HH12 ARG A 53 1.052 -9.242 7.174 1.00 1.19 H new ATOM 0 HH21 ARG A 53 4.269 -10.018 5.956 1.00 2.48 H new ATOM 0 HH22 ARG A 53 2.594 -10.558 6.111 1.00 2.48 H new ATOM 785 N PHE A 54 7.228 -3.411 6.182 1.00 0.20 N ATOM 786 CA PHE A 54 8.086 -3.872 5.079 1.00 0.26 C ATOM 787 C PHE A 54 9.465 -3.235 5.105 1.00 0.37 C ATOM 788 O PHE A 54 10.344 -3.621 4.345 1.00 0.81 O ATOM 789 CB PHE A 54 7.411 -3.619 3.739 1.00 0.18 C ATOM 790 CG PHE A 54 6.000 -4.100 3.703 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.701 -5.343 4.168 1.00 0.27 C ATOM 792 CD2 PHE A 54 4.982 -3.330 3.159 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.438 -5.831 4.101 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.703 -3.824 3.084 1.00 0.29 C ATOM 795 CZ PHE A 54 3.366 -4.889 3.718 1.00 0.33 C ATOM 0 H PHE A 54 6.604 -2.641 5.941 1.00 0.20 H new ATOM 0 HA PHE A 54 8.228 -4.944 5.215 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.432 -2.551 3.523 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.979 -4.114 2.952 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.483 -5.951 4.598 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.197 -2.337 2.793 1.00 0.19 H new ATOM 0 HE1 PHE A 54 4.224 -6.867 4.319 1.00 0.36 H new ATOM 0 HE2 PHE A 54 2.969 -3.309 2.482 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.333 -5.089 3.963 1.00 0.33 H new ATOM 805 N ASP A 55 9.608 -2.251 5.966 1.00 0.23 N ATOM 806 CA ASP A 55 10.895 -1.515 6.237 1.00 0.30 C ATOM 807 C ASP A 55 11.218 -0.363 5.312 1.00 0.21 C ATOM 808 O ASP A 55 12.277 0.244 5.448 1.00 0.44 O ATOM 809 CB ASP A 55 12.146 -2.407 6.402 1.00 0.60 C ATOM 810 CG ASP A 55 12.292 -3.012 7.768 1.00 1.22 C ATOM 811 OD1 ASP A 55 12.487 -2.266 8.748 1.00 1.56 O ATOM 812 OD2 ASP A 55 12.254 -4.254 7.884 1.00 1.99 O ATOM 0 H ASP A 55 8.831 -1.906 6.529 1.00 0.23 H new ATOM 0 HA ASP A 55 10.655 -1.084 7.209 1.00 0.30 H new ATOM 0 HB2 ASP A 55 12.108 -3.208 5.664 1.00 0.60 H new ATOM 0 HB3 ASP A 55 13.034 -1.814 6.183 1.00 0.60 H new ATOM 817 N VAL A 56 10.354 -0.027 4.395 1.00 0.17 N ATOM 818 CA VAL A 56 10.621 1.131 3.564 1.00 0.21 C ATOM 819 C VAL A 56 10.178 2.411 4.328 1.00 0.20 C ATOM 820 O VAL A 56 9.599 2.315 5.405 1.00 0.21 O ATOM 821 CB VAL A 56 9.883 0.993 2.191 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.402 0.958 2.374 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.265 2.061 1.193 1.00 0.37 C ATOM 0 H VAL A 56 9.481 -0.517 4.201 1.00 0.17 H new ATOM 0 HA VAL A 56 11.688 1.203 3.352 1.00 0.21 H new ATOM 0 HB VAL A 56 10.213 0.042 1.773 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.918 0.862 1.402 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.133 0.107 3.000 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.073 1.880 2.854 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.716 1.904 0.264 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.019 3.042 1.599 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.336 2.008 0.995 1.00 0.37 H new ATOM 833 N LYS A 57 10.484 3.565 3.820 1.00 0.25 N ATOM 834 CA LYS A 57 9.938 4.787 4.357 1.00 0.25 C ATOM 835 C LYS A 57 9.171 5.451 3.239 1.00 0.22 C ATOM 836 O LYS A 57 9.708 5.605 2.132 1.00 0.28 O ATOM 837 CB LYS A 57 11.029 5.744 4.883 1.00 0.33 C ATOM 838 CG LYS A 57 10.441 6.985 5.556 1.00 0.44 C ATOM 839 CD LYS A 57 9.719 6.611 6.844 1.00 0.89 C ATOM 840 CE LYS A 57 8.700 7.661 7.278 1.00 1.46 C ATOM 841 NZ LYS A 57 9.275 9.002 7.467 1.00 2.12 N ATOM 0 H LYS A 57 11.114 3.693 3.028 1.00 0.25 H new ATOM 0 HA LYS A 57 9.301 4.552 5.210 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.661 5.213 5.595 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.669 6.051 4.056 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.237 7.698 5.774 1.00 0.44 H new ATOM 0 HG3 LYS A 57 9.748 7.479 4.875 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.213 5.655 6.707 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.452 6.473 7.639 1.00 0.89 H new ATOM 0 HE2 LYS A 57 7.909 7.717 6.531 1.00 1.46 H new ATOM 0 HE3 LYS A 57 8.236 7.340 8.210 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 8.534 9.655 7.794 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 10.034 8.957 8.176 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 9.664 9.343 6.565 1.00 2.12 H new ATOM 855 N ILE A 58 7.935 5.807 3.479 1.00 0.20 N ATOM 856 CA ILE A 58 7.143 6.406 2.435 1.00 0.19 C ATOM 857 C ILE A 58 6.739 7.840 2.789 1.00 0.21 C ATOM 858 O ILE A 58 5.929 8.058 3.692 1.00 0.25 O ATOM 859 CB ILE A 58 5.885 5.561 2.082 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.307 4.133 1.705 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.132 6.210 0.913 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.163 3.198 1.393 1.00 0.24 C ATOM 0 H ILE A 58 7.460 5.695 4.375 1.00 0.20 H new ATOM 0 HA ILE A 58 7.778 6.433 1.549 1.00 0.19 H new ATOM 0 HB ILE A 58 5.226 5.521 2.950 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.966 4.181 0.838 1.00 0.22 H new ATOM 0 HG13 ILE A 58 6.889 3.712 2.525 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.252 5.614 0.671 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.822 7.216 1.194 1.00 0.20 H new ATOM 0 HG23 ILE A 58 5.786 6.262 0.043 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.557 2.214 1.138 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.513 3.114 2.264 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.592 3.590 0.551 1.00 0.24 H new ATOM 874 N PRO A 59 7.327 8.833 2.103 1.00 0.23 N ATOM 875 CA PRO A 59 6.988 10.247 2.289 1.00 0.28 C ATOM 876 C PRO A 59 5.595 10.542 1.772 1.00 0.24 C ATOM 877 O PRO A 59 5.088 9.822 0.905 1.00 0.21 O ATOM 878 CB PRO A 59 7.992 10.974 1.392 1.00 0.33 C ATOM 879 CG PRO A 59 8.346 9.972 0.366 1.00 0.30 C ATOM 880 CD PRO A 59 8.375 8.663 1.090 1.00 0.25 C ATOM 0 HA PRO A 59 7.020 10.540 3.338 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.554 11.866 0.944 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.869 11.297 1.954 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.614 9.959 -0.441 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.313 10.194 -0.084 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.163 7.827 0.424 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.348 8.471 1.542 1.00 0.25 H new ATOM 888 N ASP A 60 5.013 11.627 2.247 1.00 0.30 N ATOM 889 CA ASP A 60 3.667 12.071 1.851 1.00 0.34 C ATOM 890 C ASP A 60 3.601 12.266 0.354 1.00 0.31 C ATOM 891 O ASP A 60 2.577 11.999 -0.283 1.00 0.36 O ATOM 892 CB ASP A 60 3.305 13.388 2.541 1.00 0.51 C ATOM 893 CG ASP A 60 3.242 13.280 4.042 1.00 1.25 C ATOM 894 OD1 ASP A 60 4.301 13.250 4.689 1.00 1.98 O ATOM 895 OD2 ASP A 60 2.113 13.204 4.601 1.00 1.92 O ATOM 0 H ASP A 60 5.458 12.241 2.929 1.00 0.30 H new ATOM 0 HA ASP A 60 2.957 11.301 2.154 1.00 0.34 H new ATOM 0 HB2 ASP A 60 4.040 14.146 2.269 1.00 0.51 H new ATOM 0 HB3 ASP A 60 2.340 13.732 2.168 1.00 0.51 H new ATOM 900 N ASP A 61 4.722 12.698 -0.206 1.00 0.30 N ATOM 901 CA ASP A 61 4.855 12.913 -1.645 1.00 0.37 C ATOM 902 C ASP A 61 4.679 11.614 -2.402 1.00 0.33 C ATOM 903 O ASP A 61 4.095 11.592 -3.465 1.00 0.46 O ATOM 904 CB ASP A 61 6.213 13.518 -2.005 1.00 0.50 C ATOM 905 CG ASP A 61 6.438 14.894 -1.421 1.00 1.16 C ATOM 906 OD1 ASP A 61 6.052 15.903 -2.063 1.00 1.16 O ATOM 907 OD2 ASP A 61 6.996 15.002 -0.304 1.00 2.06 O ATOM 0 H ASP A 61 5.568 12.910 0.323 1.00 0.30 H new ATOM 0 HA ASP A 61 4.072 13.615 -1.932 1.00 0.37 H new ATOM 0 HB2 ASP A 61 7.002 12.851 -1.657 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.300 13.575 -3.090 1.00 0.50 H new ATOM 912 N ASP A 62 5.188 10.535 -1.858 1.00 0.25 N ATOM 913 CA ASP A 62 5.032 9.247 -2.508 1.00 0.25 C ATOM 914 C ASP A 62 3.753 8.562 -2.124 1.00 0.23 C ATOM 915 O ASP A 62 3.242 7.752 -2.879 1.00 0.28 O ATOM 916 CB ASP A 62 6.233 8.332 -2.364 1.00 0.26 C ATOM 917 CG ASP A 62 7.396 8.777 -3.220 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.230 8.902 -4.441 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.485 9.052 -2.672 1.00 0.44 O ATOM 0 H ASP A 62 5.707 10.517 -0.980 1.00 0.25 H new ATOM 0 HA ASP A 62 4.969 9.476 -3.572 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.543 8.304 -1.319 1.00 0.26 H new ATOM 0 HB3 ASP A 62 5.949 7.316 -2.640 1.00 0.26 H new ATOM 924 N VAL A 63 3.221 8.894 -0.946 1.00 0.22 N ATOM 925 CA VAL A 63 1.914 8.393 -0.513 1.00 0.26 C ATOM 926 C VAL A 63 0.876 8.764 -1.577 1.00 0.29 C ATOM 927 O VAL A 63 0.055 7.949 -1.970 1.00 0.38 O ATOM 928 CB VAL A 63 1.494 9.015 0.867 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.104 8.582 1.272 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.469 8.632 1.961 1.00 0.27 C ATOM 0 H VAL A 63 3.677 9.510 -0.272 1.00 0.22 H new ATOM 0 HA VAL A 63 1.972 7.312 -0.390 1.00 0.26 H new ATOM 0 HB VAL A 63 1.504 10.097 0.738 1.00 0.27 H new ATOM 0 HG11 VAL A 63 -0.152 9.032 2.231 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.612 8.905 0.517 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.073 7.496 1.360 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.151 9.077 2.904 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.494 7.547 2.063 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.464 8.995 1.705 1.00 0.27 H new ATOM 940 N LYS A 64 0.980 9.983 -2.078 1.00 0.27 N ATOM 941 CA LYS A 64 0.064 10.480 -3.105 1.00 0.34 C ATOM 942 C LYS A 64 0.411 9.940 -4.512 1.00 0.32 C ATOM 943 O LYS A 64 -0.328 10.157 -5.472 1.00 0.38 O ATOM 944 CB LYS A 64 0.016 12.021 -3.091 1.00 0.44 C ATOM 945 CG LYS A 64 1.330 12.697 -3.434 1.00 0.83 C ATOM 946 CD LYS A 64 1.272 14.208 -3.258 1.00 0.73 C ATOM 947 CE LYS A 64 0.213 14.852 -4.152 1.00 1.59 C ATOM 948 NZ LYS A 64 0.507 14.701 -5.599 1.00 2.16 N ATOM 0 H LYS A 64 1.692 10.655 -1.792 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.930 10.103 -2.864 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -0.744 12.354 -3.798 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.301 12.353 -2.102 1.00 0.44 H new ATOM 0 HG2 LYS A 64 2.120 12.291 -2.802 1.00 0.83 H new ATOM 0 HG3 LYS A 64 1.596 12.465 -4.465 1.00 0.83 H new ATOM 0 HD2 LYS A 64 1.057 14.443 -2.216 1.00 0.73 H new ATOM 0 HD3 LYS A 64 2.248 14.637 -3.487 1.00 0.73 H new ATOM 0 HE2 LYS A 64 -0.758 14.406 -3.935 1.00 1.59 H new ATOM 0 HE3 LYS A 64 0.137 15.912 -3.911 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -0.198 15.228 -6.153 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 1.456 15.074 -5.801 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 0.468 13.694 -5.858 1.00 2.16 H new ATOM 962 N ASN A 65 1.515 9.217 -4.619 1.00 0.26 N ATOM 963 CA ASN A 65 1.949 8.651 -5.878 1.00 0.29 C ATOM 964 C ASN A 65 1.458 7.263 -5.999 1.00 0.28 C ATOM 965 O ASN A 65 1.287 6.746 -7.103 1.00 0.42 O ATOM 966 CB ASN A 65 3.454 8.617 -5.988 1.00 0.36 C ATOM 967 CG ASN A 65 4.071 9.956 -6.294 1.00 0.90 C ATOM 968 OD1 ASN A 65 3.441 10.808 -6.910 1.00 1.59 O ATOM 969 ND2 ASN A 65 5.297 10.157 -5.896 1.00 1.43 N ATOM 0 H ASN A 65 2.132 9.009 -3.834 1.00 0.26 H new ATOM 0 HA ASN A 65 1.545 9.283 -6.669 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.869 8.241 -5.053 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.736 7.910 -6.769 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.759 11.044 -6.096 1.00 1.43 H new ATOM 0 HD22 ASN A 65 5.794 9.427 -5.385 1.00 1.43 H new ATOM 976 N LEU A 66 1.232 6.653 -4.880 1.00 0.21 N ATOM 977 CA LEU A 66 0.773 5.326 -4.850 1.00 0.23 C ATOM 978 C LEU A 66 -0.724 5.377 -4.881 1.00 0.25 C ATOM 979 O LEU A 66 -1.337 6.072 -4.078 1.00 0.31 O ATOM 980 CB LEU A 66 1.235 4.607 -3.570 1.00 0.22 C ATOM 981 CG LEU A 66 2.721 4.730 -3.176 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.022 3.853 -1.976 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.649 4.403 -4.331 1.00 0.23 C ATOM 0 H LEU A 66 1.366 7.076 -3.961 1.00 0.21 H new ATOM 0 HA LEU A 66 1.174 4.775 -5.701 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.636 4.981 -2.740 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.003 3.547 -3.678 1.00 0.22 H new ATOM 0 HG LEU A 66 2.904 5.770 -2.908 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.074 3.950 -1.709 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.404 4.164 -1.134 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.804 2.814 -2.221 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.684 4.503 -4.005 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.471 3.380 -4.663 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.460 5.090 -5.156 1.00 0.23 H new ATOM 995 N LYS A 67 -1.299 4.756 -5.853 1.00 0.28 N ATOM 996 CA LYS A 67 -2.751 4.648 -5.888 1.00 0.34 C ATOM 997 C LYS A 67 -3.123 3.185 -5.878 1.00 0.30 C ATOM 998 O LYS A 67 -4.141 2.781 -5.292 1.00 0.38 O ATOM 999 CB LYS A 67 -3.431 5.355 -7.101 1.00 0.46 C ATOM 1000 CG LYS A 67 -3.080 6.828 -7.333 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.727 6.973 -7.990 1.00 1.26 C ATOM 1002 CE LYS A 67 -1.377 8.412 -8.283 1.00 1.83 C ATOM 1003 NZ LYS A 67 -0.064 8.511 -8.958 1.00 2.55 N ATOM 0 H LYS A 67 -0.811 4.315 -6.633 1.00 0.28 H new ATOM 0 HA LYS A 67 -3.123 5.170 -5.006 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -3.176 4.800 -8.004 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -4.511 5.280 -6.975 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -3.842 7.291 -7.959 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -3.083 7.359 -6.381 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -0.964 6.542 -7.342 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -1.715 6.403 -8.919 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -2.148 8.857 -8.912 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -1.356 8.981 -7.354 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 0.256 9.501 -8.952 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 0.629 7.920 -8.457 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -0.153 8.182 -9.941 1.00 2.55 H new ATOM 1017 N THR A 68 -2.301 2.372 -6.529 1.00 0.23 N ATOM 1018 CA THR A 68 -2.518 0.981 -6.548 1.00 0.19 C ATOM 1019 C THR A 68 -1.507 0.319 -5.657 1.00 0.18 C ATOM 1020 O THR A 68 -0.547 0.965 -5.199 1.00 0.20 O ATOM 1021 CB THR A 68 -2.393 0.361 -7.971 1.00 0.18 C ATOM 1022 OG1 THR A 68 -1.033 0.429 -8.421 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.277 1.076 -8.976 1.00 0.22 C ATOM 0 H THR A 68 -1.479 2.682 -7.047 1.00 0.23 H new ATOM 0 HA THR A 68 -3.538 0.814 -6.203 1.00 0.19 H new ATOM 0 HB THR A 68 -2.716 -0.678 -7.900 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.775 1.367 -8.541 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.161 0.614 -9.956 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.318 1.003 -8.661 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.988 2.125 -9.033 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.647 -0.977 -5.452 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.663 -1.673 -4.703 1.00 0.18 C ATOM 1033 C VAL A 69 0.487 -2.002 -5.614 1.00 0.15 C ATOM 1034 O VAL A 69 1.576 -2.299 -5.168 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.208 -2.900 -3.881 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.711 -3.017 -4.006 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.517 -4.220 -4.210 1.00 1.21 C ATOM 0 H VAL A 69 -2.423 -1.545 -5.793 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.307 -1.015 -3.910 1.00 0.18 H new ATOM 0 HB VAL A 69 -0.961 -2.693 -2.840 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -3.059 -3.873 -3.428 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.179 -2.109 -3.627 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.979 -3.153 -5.054 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -0.947 -5.017 -3.604 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.658 -4.451 -5.266 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.548 -4.136 -3.996 1.00 1.21 H new ATOM 1047 N GLY A 70 0.245 -1.842 -6.917 1.00 0.14 N ATOM 1048 CA GLY A 70 1.306 -2.032 -7.878 1.00 0.16 C ATOM 1049 C GLY A 70 2.335 -0.952 -7.678 1.00 0.19 C ATOM 1050 O GLY A 70 3.526 -1.218 -7.636 1.00 0.33 O ATOM 0 H GLY A 70 -0.659 -1.587 -7.314 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.760 -3.015 -7.751 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.909 -1.993 -8.892 1.00 0.16 H new ATOM 1054 N ASP A 71 1.841 0.269 -7.491 1.00 0.17 N ATOM 1055 CA ASP A 71 2.681 1.424 -7.192 1.00 0.20 C ATOM 1056 C ASP A 71 3.378 1.197 -5.877 1.00 0.17 C ATOM 1057 O ASP A 71 4.600 1.215 -5.796 1.00 0.20 O ATOM 1058 CB ASP A 71 1.846 2.709 -7.013 1.00 0.32 C ATOM 1059 CG ASP A 71 1.036 3.150 -8.188 1.00 0.87 C ATOM 1060 OD1 ASP A 71 1.577 3.806 -9.084 1.00 1.28 O ATOM 1061 OD2 ASP A 71 -0.187 2.889 -8.204 1.00 1.39 O ATOM 0 H ASP A 71 0.846 0.485 -7.543 1.00 0.17 H new ATOM 0 HA ASP A 71 3.375 1.540 -8.025 1.00 0.20 H new ATOM 0 HB2 ASP A 71 1.171 2.562 -6.170 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.522 3.520 -6.742 1.00 0.32 H new ATOM 1066 N ALA A 72 2.554 0.963 -4.859 1.00 0.15 N ATOM 1067 CA ALA A 72 2.975 0.827 -3.460 1.00 0.13 C ATOM 1068 C ALA A 72 4.058 -0.158 -3.290 1.00 0.12 C ATOM 1069 O ALA A 72 5.146 0.184 -2.881 1.00 0.14 O ATOM 1070 CB ALA A 72 1.801 0.371 -2.606 1.00 0.13 C ATOM 0 H ALA A 72 1.547 0.859 -4.984 1.00 0.15 H new ATOM 0 HA ALA A 72 3.337 1.807 -3.150 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.122 0.272 -1.569 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.998 1.106 -2.669 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.441 -0.592 -2.967 1.00 0.13 H new ATOM 1076 N THR A 73 3.758 -1.357 -3.648 1.00 0.11 N ATOM 1077 CA THR A 73 4.629 -2.462 -3.480 1.00 0.13 C ATOM 1078 C THR A 73 5.962 -2.250 -4.147 1.00 0.16 C ATOM 1079 O THR A 73 7.016 -2.507 -3.541 1.00 0.24 O ATOM 1080 CB THR A 73 3.975 -3.698 -4.016 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.712 -3.850 -3.374 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.823 -4.869 -3.726 1.00 0.17 C ATOM 0 H THR A 73 2.867 -1.602 -4.081 1.00 0.11 H new ATOM 0 HA THR A 73 4.822 -2.573 -2.413 1.00 0.13 H new ATOM 0 HB THR A 73 3.840 -3.617 -5.095 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.075 -3.207 -3.749 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.347 -5.769 -4.116 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.796 -4.739 -4.199 1.00 0.17 H new ATOM 0 HG23 THR A 73 4.953 -4.966 -2.648 1.00 0.17 H new ATOM 1090 N LYS A 74 5.905 -1.782 -5.371 1.00 0.17 N ATOM 1091 CA LYS A 74 7.053 -1.472 -6.128 1.00 0.20 C ATOM 1092 C LYS A 74 7.881 -0.482 -5.365 1.00 0.23 C ATOM 1093 O LYS A 74 9.008 -0.746 -5.078 1.00 0.45 O ATOM 1094 CB LYS A 74 6.608 -0.939 -7.494 1.00 0.25 C ATOM 1095 CG LYS A 74 7.658 -0.199 -8.305 1.00 0.98 C ATOM 1096 CD LYS A 74 7.571 1.303 -8.080 1.00 2.21 C ATOM 1097 CE LYS A 74 6.371 1.893 -8.777 1.00 2.92 C ATOM 1098 NZ LYS A 74 6.359 3.360 -8.717 1.00 3.63 N ATOM 0 H LYS A 74 5.029 -1.609 -5.863 1.00 0.17 H new ATOM 0 HA LYS A 74 7.671 -2.353 -6.301 1.00 0.20 H new ATOM 0 HB2 LYS A 74 6.247 -1.779 -8.088 1.00 0.25 H new ATOM 0 HB3 LYS A 74 5.761 -0.270 -7.340 1.00 0.25 H new ATOM 0 HG2 LYS A 74 8.651 -0.554 -8.029 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.524 -0.419 -9.364 1.00 0.98 H new ATOM 0 HD2 LYS A 74 7.512 1.510 -7.011 1.00 2.21 H new ATOM 0 HD3 LYS A 74 8.479 1.781 -8.447 1.00 2.21 H new ATOM 0 HE2 LYS A 74 6.365 1.574 -9.819 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.461 1.505 -8.320 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 5.517 3.721 -9.209 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 6.338 3.667 -7.723 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 7.214 3.733 -9.176 1.00 3.63 H new ATOM 1112 N TYR A 75 7.247 0.596 -4.950 1.00 0.16 N ATOM 1113 CA TYR A 75 7.891 1.670 -4.230 1.00 0.16 C ATOM 1114 C TYR A 75 8.600 1.161 -2.988 1.00 0.16 C ATOM 1115 O TYR A 75 9.777 1.467 -2.744 1.00 0.19 O ATOM 1116 CB TYR A 75 6.857 2.680 -3.809 1.00 0.16 C ATOM 1117 CG TYR A 75 7.486 3.845 -3.133 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.251 4.740 -3.840 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.251 4.089 -1.803 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.766 5.848 -3.239 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.769 5.185 -1.190 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.770 5.914 -1.873 1.00 0.28 C ATOM 1123 OH TYR A 75 9.024 7.173 -1.285 1.00 0.40 O ATOM 0 H TYR A 75 6.251 0.751 -5.108 1.00 0.16 H new ATOM 0 HA TYR A 75 8.628 2.122 -4.894 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.301 3.020 -4.682 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.139 2.210 -3.137 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.447 4.563 -4.887 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.645 3.399 -1.235 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.164 6.660 -3.830 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.427 5.490 -0.212 1.00 0.26 H new ATOM 0 HH TYR A 75 9.151 7.843 -1.989 1.00 0.40 H new ATOM 1133 N ILE A 76 7.859 0.406 -2.221 1.00 0.14 N ATOM 1134 CA ILE A 76 8.304 -0.199 -1.001 1.00 0.16 C ATOM 1135 C ILE A 76 9.558 -1.015 -1.248 1.00 0.17 C ATOM 1136 O ILE A 76 10.622 -0.685 -0.748 1.00 0.21 O ATOM 1137 CB ILE A 76 7.165 -1.088 -0.450 1.00 0.15 C ATOM 1138 CG1 ILE A 76 6.006 -0.211 -0.034 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.620 -1.937 0.721 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.719 -0.957 0.116 1.00 0.13 C ATOM 0 H ILE A 76 6.887 0.189 -2.442 1.00 0.14 H new ATOM 0 HA ILE A 76 8.549 0.570 -0.268 1.00 0.16 H new ATOM 0 HB ILE A 76 6.856 -1.770 -1.242 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.248 0.274 0.912 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.875 0.579 -0.773 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.787 -2.545 1.075 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.435 -2.588 0.404 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.965 -1.290 1.527 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.931 -0.266 0.416 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.454 -1.420 -0.835 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.833 -1.730 0.876 1.00 0.13 H new ATOM 1152 N LEU A 77 9.423 -2.049 -2.030 1.00 0.17 N ATOM 1153 CA LEU A 77 10.499 -2.972 -2.333 1.00 0.20 C ATOM 1154 C LEU A 77 11.681 -2.220 -2.959 1.00 0.22 C ATOM 1155 O LEU A 77 12.827 -2.392 -2.553 1.00 0.29 O ATOM 1156 CB LEU A 77 9.932 -4.010 -3.314 1.00 0.23 C ATOM 1157 CG LEU A 77 10.752 -5.236 -3.750 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.861 -6.075 -4.614 1.00 1.08 C ATOM 1159 CD2 LEU A 77 11.996 -4.868 -4.553 1.00 1.44 C ATOM 0 H LEU A 77 8.544 -2.286 -2.489 1.00 0.17 H new ATOM 0 HA LEU A 77 10.867 -3.459 -1.430 1.00 0.20 H new ATOM 0 HB2 LEU A 77 9.007 -4.387 -2.877 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.660 -3.472 -4.222 1.00 0.23 H new ATOM 0 HG LEU A 77 11.093 -5.758 -2.856 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.405 -6.959 -4.947 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.984 -6.382 -4.043 1.00 1.08 H new ATOM 0 HD13 LEU A 77 9.545 -5.496 -5.481 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.531 -5.776 -4.831 1.00 1.44 H new ATOM 0 HD22 LEU A 77 11.701 -4.330 -5.454 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.645 -4.235 -3.948 1.00 1.44 H new ATOM 1171 N ASP A 78 11.364 -1.355 -3.902 1.00 0.22 N ATOM 1172 CA ASP A 78 12.348 -0.618 -4.707 1.00 0.29 C ATOM 1173 C ASP A 78 13.208 0.269 -3.846 1.00 0.30 C ATOM 1174 O ASP A 78 14.333 0.594 -4.189 1.00 0.36 O ATOM 1175 CB ASP A 78 11.629 0.180 -5.825 1.00 0.45 C ATOM 1176 CG ASP A 78 12.497 1.158 -6.581 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.205 0.753 -7.533 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.523 2.346 -6.216 1.00 0.59 O ATOM 0 H ASP A 78 10.398 -1.132 -4.144 1.00 0.22 H new ATOM 0 HA ASP A 78 13.018 -1.335 -5.182 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.203 -0.527 -6.536 1.00 0.45 H new ATOM 0 HB3 ASP A 78 10.797 0.726 -5.381 1.00 0.45 H new ATOM 1183 N HIS A 79 12.687 0.627 -2.713 1.00 0.29 N ATOM 1184 CA HIS A 79 13.411 1.437 -1.792 1.00 0.36 C ATOM 1185 C HIS A 79 14.063 0.631 -0.674 1.00 0.42 C ATOM 1186 O HIS A 79 15.073 1.060 -0.127 1.00 0.58 O ATOM 1187 CB HIS A 79 12.558 2.571 -1.256 1.00 0.38 C ATOM 1188 CG HIS A 79 12.485 3.767 -2.155 1.00 0.61 C ATOM 1189 ND1 HIS A 79 12.384 3.864 -3.498 1.00 0.99 N flip ATOM 1190 CD2 HIS A 79 12.502 5.059 -1.689 1.00 0.87 C flip ATOM 1191 CE1 HIS A 79 12.348 5.195 -3.809 1.00 1.25 C flip ATOM 1192 NE2 HIS A 79 12.423 5.891 -2.697 1.00 1.18 N flip ATOM 0 H HIS A 79 11.751 0.365 -2.404 1.00 0.29 H new ATOM 0 HA HIS A 79 14.232 1.883 -2.354 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.548 2.199 -1.083 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.954 2.882 -0.289 1.00 0.38 H new ATOM 0 HD1 HIS A 79 12.342 3.088 -4.158 1.00 0.99 H new ATOM 0 HD2 HIS A 79 12.570 5.345 -0.650 1.00 0.87 H new ATOM 0 HE1 HIS A 79 12.271 5.606 -4.805 1.00 1.25 H new ATOM 1201 N GLN A 80 13.522 -0.532 -0.325 1.00 0.39 N ATOM 1202 CA GLN A 80 14.153 -1.314 0.717 1.00 0.49 C ATOM 1203 C GLN A 80 15.021 -2.459 0.263 1.00 0.58 C ATOM 1204 O GLN A 80 16.185 -2.258 -0.118 1.00 0.83 O ATOM 1205 CB GLN A 80 13.275 -1.588 1.953 1.00 0.67 C ATOM 1206 CG GLN A 80 11.830 -1.967 1.695 1.00 0.52 C ATOM 1207 CD GLN A 80 11.576 -3.416 1.441 1.00 0.57 C ATOM 1208 OE1 GLN A 80 12.283 -4.292 1.916 1.00 0.87 O ATOM 1209 NE2 GLN A 80 10.535 -3.672 0.754 1.00 0.56 N ATOM 0 H GLN A 80 12.680 -0.937 -0.734 1.00 0.39 H new ATOM 0 HA GLN A 80 14.903 -0.621 1.099 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.739 -2.389 2.528 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.286 -0.697 2.581 1.00 0.67 H new ATOM 0 HG2 GLN A 80 11.234 -1.658 2.553 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.472 -1.398 0.837 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.973 -2.909 0.376 1.00 0.56 H new ATOM 0 HE22 GLN A 80 10.263 -4.640 0.582 1.00 0.56 H new ATOM 1218 N ALA A 81 14.491 -3.600 0.290 1.00 0.71 N ATOM 1219 CA ALA A 81 15.214 -4.777 -0.068 1.00 1.01 C ATOM 1220 C ALA A 81 14.717 -5.350 -1.383 1.00 1.44 C ATOM 1221 O ALA A 81 13.806 -6.202 -1.373 1.00 1.97 O ATOM 1222 CB ALA A 81 15.152 -5.812 1.041 1.00 1.30 C ATOM 1223 OXT ALA A 81 15.251 -4.961 -2.444 1.00 1.97 O ATOM 0 H ALA A 81 13.523 -3.770 0.564 1.00 0.71 H new ATOM 0 HA ALA A 81 16.258 -4.497 -0.205 1.00 1.01 H new ATOM 0 HB1 ALA A 81 15.711 -6.699 0.743 1.00 1.30 H new ATOM 0 HB2 ALA A 81 15.588 -5.398 1.950 1.00 1.30 H new ATOM 0 HB3 ALA A 81 14.113 -6.084 1.228 1.00 1.30 H new TER 1229 ALA A 81 HETATM 1230 C1 SYO A 101 -2.712 6.981 -0.505 1.00 0.56 C HETATM 1231 S1 SYO A 101 -3.995 8.091 0.194 1.00 0.76 S HETATM 1232 C2 SYO A 101 -3.313 5.664 -0.964 1.00 0.69 C HETATM 1233 C3 SYO A 101 -2.338 4.680 -1.540 1.00 0.54 C HETATM 1234 O3 SYO A 101 -2.625 4.009 -2.539 1.00 0.86 O HETATM 1235 C4 SYO A 101 -1.030 4.513 -0.860 1.00 0.47 C HETATM 1236 C5 SYO A 101 -0.932 3.197 -0.146 1.00 0.58 C HETATM 1237 C6 SYO A 101 0.499 2.853 0.065 1.00 0.57 C HETATM 1238 C7 SYO A 101 0.669 1.578 0.811 1.00 0.49 C HETATM 1239 C8 SYO A 101 2.133 1.332 0.955 1.00 0.47 C HETATM 1240 O23 SYO A 101 -10.557 10.865 1.226 1.00 1.37 O HETATM 1241 P24 SYO A 101 -9.187 10.908 0.630 1.00 0.96 P HETATM 1242 O26 SYO A 101 -8.170 11.759 1.283 1.00 1.27 O HETATM 1243 O27 SYO A 101 -9.330 11.331 -0.842 1.00 1.04 O HETATM 1244 C28 SYO A 101 -8.090 11.398 -1.625 1.00 0.84 C HETATM 1245 C29 SYO A 101 -8.380 11.569 -3.130 1.00 0.82 C HETATM 1246 C30 SYO A 101 -9.513 12.562 -3.271 1.00 1.03 C HETATM 1247 C31 SYO A 101 -7.127 12.104 -3.846 1.00 0.73 C HETATM 1248 C32 SYO A 101 -8.806 10.164 -3.767 1.00 0.93 C HETATM 1249 O33 SYO A 101 -9.608 10.324 -4.947 1.00 1.10 O HETATM 1250 C34 SYO A 101 -7.603 9.272 -4.091 1.00 0.83 C HETATM 1251 O35 SYO A 101 -7.476 8.787 -5.221 1.00 0.96 O HETATM 1252 N36 SYO A 101 -6.738 9.087 -3.141 1.00 0.71 N HETATM 1253 C37 SYO A 101 -5.524 8.284 -3.277 1.00 0.70 C HETATM 1254 C38 SYO A 101 -4.362 9.038 -3.975 1.00 0.66 C HETATM 1255 C39 SYO A 101 -3.538 9.976 -3.100 1.00 0.47 C HETATM 1256 O40 SYO A 101 -3.064 11.033 -3.536 1.00 0.53 O HETATM 1257 N41 SYO A 101 -3.370 9.561 -1.897 1.00 0.38 N HETATM 1258 C42 SYO A 101 -2.625 10.197 -0.849 1.00 0.43 C HETATM 1259 C43 SYO A 101 -3.139 9.672 0.448 1.00 0.71 C HETATM 0 HO33 SYO A 101 -9.228 9.790 -5.676 1.00 1.10 H new HETATM 0 HN41 SYO A 101 -3.818 8.676 -1.659 1.00 0.38 H new HETATM 0 HN36 SYO A 101 -6.917 9.531 -2.240 1.00 0.71 H new HETATM 0 H43A SYO A 101 -3.821 10.395 0.896 1.00 0.71 H new HETATM 0 H42A SYO A 101 -1.561 9.986 -0.953 1.00 0.43 H new HETATM 0 H38A SYO A 101 -3.689 8.300 -4.411 1.00 0.66 H new HETATM 0 H37A SYO A 101 -5.197 7.963 -2.288 1.00 0.70 H new HETATM 0 H31B SYO A 101 -6.849 13.069 -3.421 1.00 0.73 H new HETATM 0 H31A SYO A 101 -6.305 11.400 -3.716 1.00 0.73 H new HETATM 0 H30B SYO A 101 -10.396 12.183 -2.756 1.00 1.03 H new HETATM 0 H30A SYO A 101 -9.218 13.515 -2.832 1.00 1.03 H new HETATM 0 H28A SYO A 101 -7.481 12.231 -1.274 1.00 0.84 H new HETATM 0 H8B SYO A 101 2.588 1.258 -0.033 1.00 0.47 H new HETATM 0 H8A SYO A 101 2.588 2.157 1.504 1.00 0.47 H new HETATM 0 H8 SYO A 101 2.294 0.402 1.499 1.00 0.47 H new HETATM 0 H7A SYO A 101 0.193 1.640 1.790 1.00 0.49 H new HETATM 0 H7 SYO A 101 0.193 0.755 0.277 1.00 0.49 H new HETATM 0 H6A SYO A 101 0.998 2.775 -0.901 1.00 0.57 H new HETATM 0 H6 SYO A 101 0.987 3.659 0.612 1.00 0.57 H new HETATM 0 H5A SYO A 101 -1.449 3.252 0.812 1.00 0.58 H new HETATM 0 H5 SYO A 101 -1.422 2.417 -0.729 1.00 0.58 H new HETATM 0 H4A SYO A 101 -0.228 4.588 -1.594 1.00 0.47 H new HETATM 0 H43 SYO A 101 -2.313 9.538 1.147 1.00 0.71 H new HETATM 0 H42 SYO A 101 -2.742 11.280 -0.898 1.00 0.43 H new HETATM 0 H4 SYO A 101 -0.886 5.324 -0.146 1.00 0.47 H new HETATM 0 H38 SYO A 101 -4.778 9.617 -4.799 1.00 0.66 H new HETATM 0 H37 SYO A 101 -5.755 7.383 -3.844 1.00 0.70 H new HETATM 0 H32 SYO A 101 -9.402 9.671 -2.999 1.00 0.93 H new HETATM 0 H31 SYO A 101 -7.338 12.223 -4.909 1.00 0.73 H new HETATM 0 H30 SYO A 101 -9.742 12.705 -4.327 1.00 1.03 H new HETATM 0 H2A SYO A 101 -3.816 5.198 -0.117 1.00 0.69 H new HETATM 0 H28 SYO A 101 -7.509 10.490 -1.466 1.00 0.84 H new HETATM 0 H2 SYO A 101 -4.077 5.874 -1.712 1.00 0.69 H new HETATM 0 H1A SYO A 101 -2.222 7.472 -1.346 1.00 0.56 H new HETATM 0 H1 SYO A 101 -1.944 6.791 0.245 1.00 0.56 H new