USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 756 hydrogens (0 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 5 LYS NZ :NH3+ 163:sc= -0.0293 (180deg=-0.287) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 15 TYR OH : rot 0:sc= -1.76! USER MOD Single : A 17 SER OG : rot 81:sc= 1.19 USER MOD Single : A 18 SER OG : rot 180:sc= -1.28 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -145:sc= 1.01 (180deg=-0.727!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -110:sc= 1.25 USER MOD Single : A 34 ASN : amide:sc= 1.13 K(o=1.1,f=-0.028) USER MOD Single : A 37 MET CE :methyl -173:sc= -1.49 (180deg=-1.61) USER MOD Single : A 39 CYS SG : rot 77:sc= 1.23 USER MOD Single : A 41 SER OG : rot 71:sc= 0.718 USER MOD Single : A 52 SER OG : rot 180:sc=0.000967 USER MOD Single : B 5 LYS NZ :NH3+ 162:sc= -0.0288 (180deg=-0.299) USER MOD Single : B 14 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 15 TYR OH : rot 0:sc= -1.73! USER MOD Single : B 17 SER OG : rot 87:sc= 1.19 USER MOD Single : B 18 SER OG : rot 77:sc= -1.32 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ -142:sc= 0.987 (180deg=-0.35!) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot -101:sc= 1.28 USER MOD Single : B 34 ASN : amide:sc= 1.12 K(o=1.1,f=-0.027) USER MOD Single : B 37 MET CE :methyl -175:sc= -1.5 (180deg=-1.58) USER MOD Single : B 39 CYS SG : rot 81:sc= 1.23 USER MOD Single : B 41 SER OG : rot 68:sc= 0.682 USER MOD Single : B 52 SER OG : rot 180:sc= 0.00121 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 5 -2.284 10.583 4.373 1.00 0.41 N ATOM 75 CA LYS A 5 -1.402 9.643 3.704 1.00 0.36 C ATOM 76 C LYS A 5 -0.741 8.726 4.724 1.00 0.27 C ATOM 77 O LYS A 5 -0.309 7.625 4.396 1.00 0.25 O ATOM 78 CB LYS A 5 -0.354 10.393 2.874 1.00 0.42 C ATOM 79 CG LYS A 5 0.526 11.328 3.683 1.00 0.41 C ATOM 80 CD LYS A 5 1.451 12.136 2.783 1.00 0.53 C ATOM 81 CE LYS A 5 0.712 13.263 2.077 1.00 0.73 C ATOM 82 NZ LYS A 5 0.250 14.310 3.026 1.00 1.14 N ATOM 0 HA LYS A 5 -1.991 9.027 3.025 1.00 0.36 H new ATOM 0 HB2 LYS A 5 0.279 9.666 2.365 1.00 0.42 H new ATOM 0 HB3 LYS A 5 -0.863 10.969 2.101 1.00 0.42 H new ATOM 0 HG2 LYS A 5 -0.099 12.004 4.267 1.00 0.41 H new ATOM 0 HG3 LYS A 5 1.119 10.750 4.392 1.00 0.41 H new ATOM 0 HD2 LYS A 5 2.264 12.552 3.378 1.00 0.53 H new ATOM 0 HD3 LYS A 5 1.903 11.477 2.041 1.00 0.53 H new ATOM 0 HE2 LYS A 5 1.367 13.714 1.331 1.00 0.73 H new ATOM 0 HE3 LYS A 5 -0.146 12.855 1.543 1.00 0.73 H new ATOM 0 HZ1 LYS A 5 0.016 15.176 2.500 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 -0.595 13.973 3.531 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 1.005 14.514 3.712 1.00 1.14 H new ATOM 96 N GLU A 6 -0.686 9.194 5.965 1.00 0.30 N ATOM 97 CA GLU A 6 -0.175 8.401 7.073 1.00 0.36 C ATOM 98 C GLU A 6 -1.108 7.227 7.367 1.00 0.38 C ATOM 99 O GLU A 6 -0.658 6.105 7.608 1.00 0.41 O ATOM 100 CB GLU A 6 -0.027 9.290 8.310 1.00 0.49 C ATOM 101 CG GLU A 6 0.412 8.550 9.560 1.00 0.99 C ATOM 102 CD GLU A 6 0.504 9.463 10.763 1.00 1.46 C ATOM 103 OE1 GLU A 6 -0.545 9.962 11.219 1.00 2.11 O ATOM 104 OE2 GLU A 6 1.628 9.693 11.257 1.00 2.00 O ATOM 0 H GLU A 6 -0.993 10.130 6.230 1.00 0.30 H new ATOM 0 HA GLU A 6 0.801 7.998 6.803 1.00 0.36 H new ATOM 0 HB2 GLU A 6 0.697 10.076 8.094 1.00 0.49 H new ATOM 0 HB3 GLU A 6 -0.980 9.780 8.508 1.00 0.49 H new ATOM 0 HG2 GLU A 6 -0.293 7.745 9.770 1.00 0.99 H new ATOM 0 HG3 GLU A 6 1.382 8.086 9.383 1.00 0.99 H new ATOM 111 N GLU A 7 -2.411 7.490 7.316 1.00 0.41 N ATOM 112 CA GLU A 7 -3.415 6.476 7.623 1.00 0.48 C ATOM 113 C GLU A 7 -3.422 5.383 6.559 1.00 0.40 C ATOM 114 O GLU A 7 -3.516 4.193 6.871 1.00 0.40 O ATOM 115 CB GLU A 7 -4.797 7.126 7.736 1.00 0.61 C ATOM 116 CG GLU A 7 -4.849 8.237 8.774 1.00 0.75 C ATOM 117 CD GLU A 7 -6.191 8.935 8.841 1.00 0.95 C ATOM 118 OE1 GLU A 7 -6.553 9.640 7.873 1.00 1.68 O ATOM 119 OE2 GLU A 7 -6.883 8.804 9.875 1.00 1.25 O ATOM 0 H GLU A 7 -2.797 8.400 7.064 1.00 0.41 H new ATOM 0 HA GLU A 7 -3.164 6.015 8.578 1.00 0.48 H new ATOM 0 HB2 GLU A 7 -5.083 7.530 6.765 1.00 0.61 H new ATOM 0 HB3 GLU A 7 -5.532 6.362 7.992 1.00 0.61 H new ATOM 0 HG2 GLU A 7 -4.615 7.820 9.754 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -4.076 8.972 8.548 1.00 0.75 H new ATOM 126 N ILE A 8 -3.307 5.789 5.303 1.00 0.37 N ATOM 127 CA ILE A 8 -3.250 4.837 4.204 1.00 0.36 C ATOM 128 C ILE A 8 -1.941 4.053 4.246 1.00 0.27 C ATOM 129 O ILE A 8 -1.934 2.836 4.065 1.00 0.25 O ATOM 130 CB ILE A 8 -3.415 5.534 2.836 1.00 0.40 C ATOM 131 CG1 ILE A 8 -4.786 6.220 2.768 1.00 0.54 C ATOM 132 CG2 ILE A 8 -3.257 4.531 1.695 1.00 0.42 C ATOM 133 CD1 ILE A 8 -5.055 6.935 1.462 1.00 0.96 C ATOM 0 H ILE A 8 -3.252 6.767 5.020 1.00 0.37 H new ATOM 0 HA ILE A 8 -4.083 4.144 4.325 1.00 0.36 H new ATOM 0 HB ILE A 8 -2.636 6.288 2.728 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.563 5.472 2.927 1.00 0.54 H new ATOM 0 HG13 ILE A 8 -4.862 6.937 3.585 1.00 0.54 H new ATOM 0 HG21 ILE A 8 -3.377 5.044 0.741 1.00 0.42 H new ATOM 0 HG22 ILE A 8 -2.266 4.079 1.742 1.00 0.42 H new ATOM 0 HG23 ILE A 8 -4.015 3.753 1.787 1.00 0.42 H new ATOM 0 HD11 ILE A 8 -6.044 7.393 1.495 1.00 0.96 H new ATOM 0 HD12 ILE A 8 -4.302 7.708 1.309 1.00 0.96 H new ATOM 0 HD13 ILE A 8 -5.013 6.220 0.640 1.00 0.96 H new ATOM 145 N ALA A 9 -0.836 4.754 4.505 1.00 0.25 N ATOM 146 CA ALA A 9 0.465 4.108 4.663 1.00 0.20 C ATOM 147 C ALA A 9 0.414 3.041 5.750 1.00 0.19 C ATOM 148 O ALA A 9 1.051 1.992 5.631 1.00 0.16 O ATOM 149 CB ALA A 9 1.536 5.138 4.986 1.00 0.21 C ATOM 0 H ALA A 9 -0.817 5.768 4.609 1.00 0.25 H new ATOM 0 HA ALA A 9 0.718 3.624 3.720 1.00 0.20 H new ATOM 0 HB1 ALA A 9 2.498 4.639 5.100 1.00 0.21 H new ATOM 0 HB2 ALA A 9 1.598 5.865 4.176 1.00 0.21 H new ATOM 0 HB3 ALA A 9 1.280 5.650 5.914 1.00 0.21 H new ATOM 155 N ALA A 10 -0.350 3.315 6.803 1.00 0.24 N ATOM 156 CA ALA A 10 -0.551 2.353 7.875 1.00 0.25 C ATOM 157 C ALA A 10 -1.163 1.065 7.333 1.00 0.24 C ATOM 158 O ALA A 10 -0.664 -0.024 7.606 1.00 0.22 O ATOM 159 CB ALA A 10 -1.424 2.948 8.970 1.00 0.33 C ATOM 0 H ALA A 10 -0.841 4.200 6.935 1.00 0.24 H new ATOM 0 HA ALA A 10 0.420 2.111 8.308 1.00 0.25 H new ATOM 0 HB1 ALA A 10 -1.563 2.214 9.763 1.00 0.33 H new ATOM 0 HB2 ALA A 10 -0.941 3.836 9.378 1.00 0.33 H new ATOM 0 HB3 ALA A 10 -2.394 3.221 8.554 1.00 0.33 H new ATOM 165 N LEU A 11 -2.232 1.193 6.547 1.00 0.27 N ATOM 166 CA LEU A 11 -2.855 0.031 5.911 1.00 0.30 C ATOM 167 C LEU A 11 -1.855 -0.703 5.027 1.00 0.26 C ATOM 168 O LEU A 11 -1.818 -1.933 4.991 1.00 0.29 O ATOM 169 CB LEU A 11 -4.051 0.449 5.049 1.00 0.38 C ATOM 170 CG LEU A 11 -5.310 0.879 5.799 1.00 0.75 C ATOM 171 CD1 LEU A 11 -6.349 1.403 4.820 1.00 1.56 C ATOM 172 CD2 LEU A 11 -5.879 -0.285 6.594 1.00 0.63 C ATOM 0 H LEU A 11 -2.683 2.083 6.336 1.00 0.27 H new ATOM 0 HA LEU A 11 -3.195 -0.628 6.710 1.00 0.30 H new ATOM 0 HB2 LEU A 11 -3.738 1.272 4.406 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -4.310 -0.385 4.396 1.00 0.38 H new ATOM 0 HG LEU A 11 -5.045 1.676 6.493 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -7.242 1.707 5.366 1.00 1.56 H new ATOM 0 HD12 LEU A 11 -5.943 2.260 4.283 1.00 1.56 H new ATOM 0 HD13 LEU A 11 -6.607 0.618 4.109 1.00 1.56 H new ATOM 0 HD21 LEU A 11 -6.776 0.039 7.122 1.00 0.63 H new ATOM 0 HD22 LEU A 11 -6.132 -1.100 5.916 1.00 0.63 H new ATOM 0 HD23 LEU A 11 -5.138 -0.630 7.315 1.00 0.63 H new ATOM 184 N ILE A 12 -1.049 0.073 4.323 1.00 0.21 N ATOM 185 CA ILE A 12 -0.081 -0.456 3.376 1.00 0.20 C ATOM 186 C ILE A 12 0.975 -1.323 4.062 1.00 0.18 C ATOM 187 O ILE A 12 1.190 -2.472 3.670 1.00 0.20 O ATOM 188 CB ILE A 12 0.588 0.698 2.603 1.00 0.19 C ATOM 189 CG1 ILE A 12 -0.451 1.368 1.696 1.00 0.22 C ATOM 190 CG2 ILE A 12 1.779 0.197 1.801 1.00 0.20 C ATOM 191 CD1 ILE A 12 0.038 2.625 1.013 1.00 0.25 C ATOM 0 H ILE A 12 -1.047 1.091 4.392 1.00 0.21 H new ATOM 0 HA ILE A 12 -0.618 -1.095 2.675 1.00 0.20 H new ATOM 0 HB ILE A 12 0.965 1.434 3.312 1.00 0.19 H new ATOM 0 HG12 ILE A 12 -0.766 0.654 0.935 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -1.332 1.610 2.290 1.00 0.22 H new ATOM 0 HG21 ILE A 12 2.233 1.030 1.265 1.00 0.20 H new ATOM 0 HG22 ILE A 12 2.513 -0.243 2.476 1.00 0.20 H new ATOM 0 HG23 ILE A 12 1.446 -0.556 1.086 1.00 0.20 H new ATOM 0 HD11 ILE A 12 -0.758 3.035 0.391 1.00 0.25 H new ATOM 0 HD12 ILE A 12 0.325 3.360 1.765 1.00 0.25 H new ATOM 0 HD13 ILE A 12 0.900 2.388 0.389 1.00 0.25 H new ATOM 203 N VAL A 13 1.624 -0.788 5.087 1.00 0.16 N ATOM 204 CA VAL A 13 2.649 -1.547 5.794 1.00 0.16 C ATOM 205 C VAL A 13 2.016 -2.678 6.604 1.00 0.16 C ATOM 206 O VAL A 13 2.621 -3.732 6.791 1.00 0.18 O ATOM 207 CB VAL A 13 3.516 -0.654 6.708 1.00 0.15 C ATOM 208 CG1 VAL A 13 4.243 0.401 5.887 1.00 0.16 C ATOM 209 CG2 VAL A 13 2.683 -0.001 7.798 1.00 0.14 C ATOM 0 H VAL A 13 1.464 0.154 5.444 1.00 0.16 H new ATOM 0 HA VAL A 13 3.308 -1.973 5.038 1.00 0.16 H new ATOM 0 HB VAL A 13 4.256 -1.292 7.192 1.00 0.15 H new ATOM 0 HG11 VAL A 13 4.849 1.022 6.547 1.00 0.16 H new ATOM 0 HG12 VAL A 13 4.887 -0.087 5.155 1.00 0.16 H new ATOM 0 HG13 VAL A 13 3.514 1.025 5.370 1.00 0.16 H new ATOM 0 HG21 VAL A 13 3.324 0.620 8.423 1.00 0.14 H new ATOM 0 HG22 VAL A 13 1.910 0.618 7.343 1.00 0.14 H new ATOM 0 HG23 VAL A 13 2.217 -0.772 8.411 1.00 0.14 H new ATOM 219 N ASN A 14 0.790 -2.449 7.070 1.00 0.18 N ATOM 220 CA ASN A 14 0.012 -3.483 7.752 1.00 0.21 C ATOM 221 C ASN A 14 -0.195 -4.678 6.829 1.00 0.19 C ATOM 222 O ASN A 14 -0.099 -5.832 7.248 1.00 0.20 O ATOM 223 CB ASN A 14 -1.346 -2.919 8.186 1.00 0.30 C ATOM 224 CG ASN A 14 -2.206 -3.928 8.925 1.00 0.42 C ATOM 225 OD1 ASN A 14 -1.704 -4.792 9.639 1.00 0.45 O ATOM 226 ND2 ASN A 14 -3.516 -3.825 8.752 1.00 0.57 N ATOM 0 H ASN A 14 0.311 -1.552 6.987 1.00 0.18 H new ATOM 0 HA ASN A 14 0.561 -3.809 8.636 1.00 0.21 H new ATOM 0 HB2 ASN A 14 -1.184 -2.052 8.826 1.00 0.30 H new ATOM 0 HB3 ASN A 14 -1.884 -2.569 7.305 1.00 0.30 H new ATOM 0 HD21 ASN A 14 -4.145 -4.477 9.220 1.00 0.57 H new ATOM 0 HD22 ASN A 14 -3.895 -3.093 8.151 1.00 0.57 H new ATOM 233 N TYR A 15 -0.457 -4.383 5.562 1.00 0.22 N ATOM 234 CA TYR A 15 -0.671 -5.417 4.564 1.00 0.24 C ATOM 235 C TYR A 15 0.564 -6.291 4.416 1.00 0.22 C ATOM 236 O TYR A 15 0.490 -7.511 4.561 1.00 0.23 O ATOM 237 CB TYR A 15 -1.029 -4.806 3.209 1.00 0.30 C ATOM 238 CG TYR A 15 -1.292 -5.846 2.144 1.00 0.39 C ATOM 239 CD1 TYR A 15 -2.309 -6.779 2.299 1.00 1.30 C ATOM 240 CD2 TYR A 15 -0.516 -5.907 0.993 1.00 1.19 C ATOM 241 CE1 TYR A 15 -2.549 -7.738 1.339 1.00 1.40 C ATOM 242 CE2 TYR A 15 -0.749 -6.866 0.027 1.00 1.21 C ATOM 243 CZ TYR A 15 -1.767 -7.779 0.207 1.00 0.65 C ATOM 244 OH TYR A 15 -2.004 -8.739 -0.748 1.00 0.80 O ATOM 0 H TYR A 15 -0.526 -3.431 5.203 1.00 0.22 H new ATOM 0 HA TYR A 15 -1.504 -6.033 4.905 1.00 0.24 H new ATOM 0 HB2 TYR A 15 -1.913 -4.178 3.322 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -0.216 -4.157 2.883 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -2.922 -6.752 3.187 1.00 1.30 H new ATOM 0 HD2 TYR A 15 0.282 -5.193 0.852 1.00 1.19 H new ATOM 0 HE1 TYR A 15 -3.346 -8.454 1.474 1.00 1.40 H new ATOM 0 HE2 TYR A 15 -0.138 -6.901 -0.863 1.00 1.21 H new ATOM 0 HH TYR A 15 -2.754 -9.303 -0.466 1.00 0.80 H new ATOM 254 N PHE A 16 1.701 -5.664 4.139 1.00 0.20 N ATOM 255 CA PHE A 16 2.938 -6.403 3.925 1.00 0.21 C ATOM 256 C PHE A 16 3.358 -7.143 5.189 1.00 0.20 C ATOM 257 O PHE A 16 3.897 -8.245 5.112 1.00 0.20 O ATOM 258 CB PHE A 16 4.059 -5.476 3.453 1.00 0.20 C ATOM 259 CG PHE A 16 3.797 -4.833 2.116 1.00 0.20 C ATOM 260 CD1 PHE A 16 3.412 -5.601 1.025 1.00 0.91 C ATOM 261 CD2 PHE A 16 3.946 -3.467 1.946 1.00 1.04 C ATOM 262 CE1 PHE A 16 3.179 -5.016 -0.203 1.00 0.91 C ATOM 263 CE2 PHE A 16 3.713 -2.878 0.719 1.00 1.05 C ATOM 264 CZ PHE A 16 3.331 -3.654 -0.357 1.00 0.23 C ATOM 0 H PHE A 16 1.792 -4.651 4.058 1.00 0.20 H new ATOM 0 HA PHE A 16 2.751 -7.139 3.143 1.00 0.21 H new ATOM 0 HB2 PHE A 16 4.209 -4.694 4.198 1.00 0.20 H new ATOM 0 HB3 PHE A 16 4.987 -6.044 3.396 1.00 0.20 H new ATOM 0 HD1 PHE A 16 3.294 -6.668 1.139 1.00 0.91 H new ATOM 0 HD2 PHE A 16 4.248 -2.855 2.783 1.00 1.04 H new ATOM 0 HE1 PHE A 16 2.878 -5.624 -1.043 1.00 0.91 H new ATOM 0 HE2 PHE A 16 3.830 -1.811 0.601 1.00 1.05 H new ATOM 0 HZ PHE A 16 3.151 -3.195 -1.318 1.00 0.23 H new ATOM 274 N SER A 17 3.093 -6.547 6.348 1.00 0.19 N ATOM 275 CA SER A 17 3.382 -7.199 7.619 1.00 0.20 C ATOM 276 C SER A 17 2.577 -8.491 7.748 1.00 0.21 C ATOM 277 O SER A 17 3.099 -9.517 8.179 1.00 0.24 O ATOM 278 CB SER A 17 3.075 -6.263 8.791 1.00 0.21 C ATOM 279 OG SER A 17 3.912 -5.117 8.768 1.00 0.90 O ATOM 0 H SER A 17 2.681 -5.618 6.432 1.00 0.19 H new ATOM 0 HA SER A 17 4.444 -7.443 7.644 1.00 0.20 H new ATOM 0 HB2 SER A 17 2.031 -5.954 8.749 1.00 0.21 H new ATOM 0 HB3 SER A 17 3.212 -6.797 9.731 1.00 0.21 H new ATOM 0 HG SER A 17 3.551 -4.461 8.135 1.00 0.90 H new ATOM 285 N SER A 18 1.312 -8.436 7.347 1.00 0.24 N ATOM 286 CA SER A 18 0.452 -9.609 7.364 1.00 0.25 C ATOM 287 C SER A 18 0.940 -10.641 6.344 1.00 0.25 C ATOM 288 O SER A 18 0.992 -11.839 6.629 1.00 0.29 O ATOM 289 CB SER A 18 -0.997 -9.198 7.063 1.00 0.26 C ATOM 290 OG SER A 18 -1.891 -10.296 7.177 1.00 0.84 O ATOM 0 H SER A 18 0.860 -7.588 7.005 1.00 0.24 H new ATOM 0 HA SER A 18 0.490 -10.062 8.355 1.00 0.25 H new ATOM 0 HB2 SER A 18 -1.301 -8.409 7.750 1.00 0.26 H new ATOM 0 HB3 SER A 18 -1.056 -8.784 6.056 1.00 0.26 H new ATOM 0 HG SER A 18 -2.803 -9.997 6.980 1.00 0.84 H new ATOM 296 N ILE A 19 1.324 -10.160 5.163 1.00 0.23 N ATOM 297 CA ILE A 19 1.799 -11.028 4.088 1.00 0.24 C ATOM 298 C ILE A 19 3.047 -11.801 4.506 1.00 0.25 C ATOM 299 O ILE A 19 3.122 -13.014 4.315 1.00 0.28 O ATOM 300 CB ILE A 19 2.098 -10.223 2.796 1.00 0.24 C ATOM 301 CG1 ILE A 19 0.807 -9.622 2.232 1.00 0.25 C ATOM 302 CG2 ILE A 19 2.783 -11.093 1.744 1.00 0.27 C ATOM 303 CD1 ILE A 19 -0.245 -10.653 1.867 1.00 0.28 C ATOM 0 H ILE A 19 1.315 -9.168 4.926 1.00 0.23 H new ATOM 0 HA ILE A 19 0.998 -11.737 3.881 1.00 0.24 H new ATOM 0 HB ILE A 19 2.780 -9.414 3.057 1.00 0.24 H new ATOM 0 HG12 ILE A 19 0.388 -8.934 2.966 1.00 0.25 H new ATOM 0 HG13 ILE A 19 1.048 -9.035 1.346 1.00 0.25 H new ATOM 0 HG21 ILE A 19 2.978 -10.499 0.851 1.00 0.27 H new ATOM 0 HG22 ILE A 19 3.725 -11.471 2.142 1.00 0.27 H new ATOM 0 HG23 ILE A 19 2.135 -11.931 1.487 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -1.128 -10.149 1.475 1.00 0.28 H new ATOM 0 HD12 ILE A 19 0.154 -11.327 1.109 1.00 0.28 H new ATOM 0 HD13 ILE A 19 -0.517 -11.225 2.754 1.00 0.28 H new ATOM 315 N VAL A 20 4.019 -11.106 5.086 1.00 0.25 N ATOM 316 CA VAL A 20 5.269 -11.742 5.475 1.00 0.28 C ATOM 317 C VAL A 20 5.092 -12.601 6.728 1.00 0.33 C ATOM 318 O VAL A 20 5.761 -13.623 6.883 1.00 0.34 O ATOM 319 CB VAL A 20 6.399 -10.709 5.693 1.00 0.29 C ATOM 320 CG1 VAL A 20 6.660 -9.927 4.413 1.00 0.26 C ATOM 321 CG2 VAL A 20 6.077 -9.763 6.840 1.00 0.30 C ATOM 0 H VAL A 20 3.965 -10.109 5.295 1.00 0.25 H new ATOM 0 HA VAL A 20 5.560 -12.390 4.648 1.00 0.28 H new ATOM 0 HB VAL A 20 7.303 -11.257 5.960 1.00 0.29 H new ATOM 0 HG11 VAL A 20 7.458 -9.205 4.584 1.00 0.26 H new ATOM 0 HG12 VAL A 20 6.957 -10.614 3.621 1.00 0.26 H new ATOM 0 HG13 VAL A 20 5.752 -9.401 4.116 1.00 0.26 H new ATOM 0 HG21 VAL A 20 6.893 -9.051 6.964 1.00 0.30 H new ATOM 0 HG22 VAL A 20 5.156 -9.224 6.619 1.00 0.30 H new ATOM 0 HG23 VAL A 20 5.951 -10.335 7.759 1.00 0.30 H new ATOM 331 N GLU A 21 4.194 -12.185 7.618 1.00 0.39 N ATOM 332 CA GLU A 21 3.880 -12.962 8.813 1.00 0.49 C ATOM 333 C GLU A 21 3.312 -14.332 8.436 1.00 0.48 C ATOM 334 O GLU A 21 3.708 -15.359 8.992 1.00 0.51 O ATOM 335 CB GLU A 21 2.880 -12.202 9.688 1.00 0.59 C ATOM 336 CG GLU A 21 2.667 -12.827 11.055 1.00 1.23 C ATOM 337 CD GLU A 21 3.930 -12.835 11.887 1.00 1.83 C ATOM 338 OE1 GLU A 21 4.222 -11.815 12.544 1.00 2.49 O ATOM 339 OE2 GLU A 21 4.641 -13.861 11.890 1.00 2.39 O ATOM 0 H GLU A 21 3.671 -11.313 7.533 1.00 0.39 H new ATOM 0 HA GLU A 21 4.802 -13.114 9.375 1.00 0.49 H new ATOM 0 HB2 GLU A 21 3.229 -11.177 9.817 1.00 0.59 H new ATOM 0 HB3 GLU A 21 1.923 -12.150 9.169 1.00 0.59 H new ATOM 0 HG2 GLU A 21 1.889 -12.278 11.585 1.00 1.23 H new ATOM 0 HG3 GLU A 21 2.309 -13.849 10.933 1.00 1.23 H new ATOM 346 N LYS A 22 2.400 -14.339 7.471 1.00 0.46 N ATOM 347 CA LYS A 22 1.787 -15.580 7.004 1.00 0.49 C ATOM 348 C LYS A 22 2.679 -16.258 5.968 1.00 0.42 C ATOM 349 O LYS A 22 2.410 -17.377 5.530 1.00 0.44 O ATOM 350 CB LYS A 22 0.415 -15.306 6.388 1.00 0.57 C ATOM 351 CG LYS A 22 -0.550 -14.584 7.312 1.00 0.67 C ATOM 352 CD LYS A 22 -1.877 -14.317 6.619 1.00 0.80 C ATOM 353 CE LYS A 22 -2.749 -13.378 7.436 1.00 0.72 C ATOM 354 NZ LYS A 22 -4.081 -13.160 6.812 1.00 1.42 N ATOM 0 H LYS A 22 2.068 -13.500 6.996 1.00 0.46 H new ATOM 0 HA LYS A 22 1.667 -16.239 7.864 1.00 0.49 H new ATOM 0 HB2 LYS A 22 0.547 -14.712 5.484 1.00 0.57 H new ATOM 0 HB3 LYS A 22 -0.030 -16.254 6.085 1.00 0.57 H new ATOM 0 HG2 LYS A 22 -0.718 -15.183 8.207 1.00 0.67 H new ATOM 0 HG3 LYS A 22 -0.110 -13.641 7.637 1.00 0.67 H new ATOM 0 HD2 LYS A 22 -1.695 -13.884 5.635 1.00 0.80 H new ATOM 0 HD3 LYS A 22 -2.403 -15.259 6.460 1.00 0.80 H new ATOM 0 HE2 LYS A 22 -2.882 -13.788 8.437 1.00 0.72 H new ATOM 0 HE3 LYS A 22 -2.242 -12.420 7.548 1.00 0.72 H new ATOM 0 HZ1 LYS A 22 -4.640 -12.513 7.404 1.00 1.42 H new ATOM 0 HZ2 LYS A 22 -3.958 -12.744 5.867 1.00 1.42 H new ATOM 0 HZ3 LYS A 22 -4.578 -14.070 6.728 1.00 1.42 H new ATOM 368 N LYS A 23 3.745 -15.550 5.595 1.00 0.36 N ATOM 369 CA LYS A 23 4.684 -15.987 4.565 1.00 0.32 C ATOM 370 C LYS A 23 3.967 -16.287 3.254 1.00 0.36 C ATOM 371 O LYS A 23 4.269 -17.267 2.576 1.00 0.41 O ATOM 372 CB LYS A 23 5.498 -17.201 5.022 1.00 0.36 C ATOM 373 CG LYS A 23 6.366 -16.923 6.239 1.00 0.42 C ATOM 374 CD LYS A 23 7.488 -17.941 6.374 1.00 0.57 C ATOM 375 CE LYS A 23 8.522 -17.773 5.269 1.00 1.21 C ATOM 376 NZ LYS A 23 9.662 -18.714 5.417 1.00 1.79 N ATOM 0 H LYS A 23 3.982 -14.647 6.005 1.00 0.36 H new ATOM 0 HA LYS A 23 5.378 -15.164 4.394 1.00 0.32 H new ATOM 0 HB2 LYS A 23 4.817 -18.021 5.250 1.00 0.36 H new ATOM 0 HB3 LYS A 23 6.133 -17.534 4.201 1.00 0.36 H new ATOM 0 HG2 LYS A 23 6.790 -15.922 6.162 1.00 0.42 H new ATOM 0 HG3 LYS A 23 5.749 -16.940 7.138 1.00 0.42 H new ATOM 0 HD2 LYS A 23 7.969 -17.829 7.346 1.00 0.57 H new ATOM 0 HD3 LYS A 23 7.074 -18.949 6.338 1.00 0.57 H new ATOM 0 HE2 LYS A 23 8.046 -17.932 4.301 1.00 1.21 H new ATOM 0 HE3 LYS A 23 8.895 -16.749 5.276 1.00 1.21 H new ATOM 0 HZ1 LYS A 23 10.538 -18.250 5.102 1.00 1.79 H new ATOM 0 HZ2 LYS A 23 9.756 -18.991 6.415 1.00 1.79 H new ATOM 0 HZ3 LYS A 23 9.491 -19.561 4.838 1.00 1.79 H new ATOM 390 N GLU A 24 3.029 -15.415 2.897 1.00 0.37 N ATOM 391 CA GLU A 24 2.268 -15.555 1.660 1.00 0.46 C ATOM 392 C GLU A 24 3.149 -15.266 0.449 1.00 0.40 C ATOM 393 O GLU A 24 2.754 -15.495 -0.693 1.00 0.43 O ATOM 394 CB GLU A 24 1.070 -14.605 1.669 1.00 0.57 C ATOM 395 CG GLU A 24 0.023 -14.948 2.714 1.00 0.84 C ATOM 396 CD GLU A 24 -0.706 -16.239 2.405 1.00 1.08 C ATOM 397 OE1 GLU A 24 -0.234 -17.309 2.822 1.00 1.83 O ATOM 398 OE2 GLU A 24 -1.757 -16.189 1.732 1.00 1.65 O ATOM 0 H GLU A 24 2.776 -14.597 3.452 1.00 0.37 H new ATOM 0 HA GLU A 24 1.910 -16.582 1.592 1.00 0.46 H new ATOM 0 HB2 GLU A 24 1.425 -13.589 1.844 1.00 0.57 H new ATOM 0 HB3 GLU A 24 0.603 -14.614 0.684 1.00 0.57 H new ATOM 0 HG2 GLU A 24 0.502 -15.030 3.690 1.00 0.84 H new ATOM 0 HG3 GLU A 24 -0.699 -14.134 2.781 1.00 0.84 H new ATOM 405 N ILE A 25 4.344 -14.764 0.710 1.00 0.36 N ATOM 406 CA ILE A 25 5.289 -14.442 -0.342 1.00 0.33 C ATOM 407 C ILE A 25 6.609 -15.168 -0.075 1.00 0.33 C ATOM 408 O ILE A 25 6.940 -15.450 1.080 1.00 0.34 O ATOM 409 CB ILE A 25 5.516 -12.914 -0.433 1.00 0.29 C ATOM 410 CG1 ILE A 25 6.347 -12.565 -1.674 1.00 0.30 C ATOM 411 CG2 ILE A 25 6.191 -12.397 0.830 1.00 0.27 C ATOM 412 CD1 ILE A 25 6.518 -11.079 -1.898 1.00 0.28 C ATOM 0 H ILE A 25 4.684 -14.570 1.652 1.00 0.36 H new ATOM 0 HA ILE A 25 4.882 -14.773 -1.298 1.00 0.33 H new ATOM 0 HB ILE A 25 4.545 -12.427 -0.525 1.00 0.29 H new ATOM 0 HG12 ILE A 25 7.331 -13.024 -1.581 1.00 0.30 H new ATOM 0 HG13 ILE A 25 5.872 -13.003 -2.552 1.00 0.30 H new ATOM 0 HG21 ILE A 25 6.342 -11.321 0.747 1.00 0.27 H new ATOM 0 HG22 ILE A 25 5.560 -12.609 1.693 1.00 0.27 H new ATOM 0 HG23 ILE A 25 7.155 -12.890 0.955 1.00 0.27 H new ATOM 0 HD11 ILE A 25 7.117 -10.913 -2.794 1.00 0.28 H new ATOM 0 HD12 ILE A 25 5.540 -10.615 -2.024 1.00 0.28 H new ATOM 0 HD13 ILE A 25 7.021 -10.637 -1.038 1.00 0.28 H new ATOM 424 N SER A 26 7.329 -15.505 -1.142 1.00 0.35 N ATOM 425 CA SER A 26 8.585 -16.240 -1.031 1.00 0.38 C ATOM 426 C SER A 26 9.626 -15.466 -0.215 1.00 0.34 C ATOM 427 O SER A 26 9.506 -14.251 -0.033 1.00 0.31 O ATOM 428 CB SER A 26 9.130 -16.557 -2.426 1.00 0.46 C ATOM 429 OG SER A 26 10.197 -17.489 -2.363 1.00 1.45 O ATOM 0 H SER A 26 7.061 -15.279 -2.100 1.00 0.35 H new ATOM 0 HA SER A 26 8.382 -17.171 -0.502 1.00 0.38 H new ATOM 0 HB2 SER A 26 8.330 -16.958 -3.049 1.00 0.46 H new ATOM 0 HB3 SER A 26 9.474 -15.639 -2.902 1.00 0.46 H new ATOM 0 HG SER A 26 10.524 -17.674 -3.268 1.00 1.45 H new ATOM 435 N GLU A 27 10.647 -16.184 0.251 1.00 0.40 N ATOM 436 CA GLU A 27 11.646 -15.651 1.182 1.00 0.45 C ATOM 437 C GLU A 27 12.220 -14.313 0.717 1.00 0.40 C ATOM 438 O GLU A 27 12.198 -13.326 1.461 1.00 0.44 O ATOM 439 CB GLU A 27 12.793 -16.652 1.350 1.00 0.69 C ATOM 440 CG GLU A 27 12.339 -18.078 1.618 1.00 0.75 C ATOM 441 CD GLU A 27 11.413 -18.191 2.810 1.00 1.21 C ATOM 442 OE1 GLU A 27 11.866 -17.969 3.952 1.00 1.71 O ATOM 443 OE2 GLU A 27 10.223 -18.509 2.615 1.00 1.87 O ATOM 0 H GLU A 27 10.807 -17.158 -0.007 1.00 0.40 H new ATOM 0 HA GLU A 27 11.138 -15.489 2.133 1.00 0.45 H new ATOM 0 HB2 GLU A 27 13.406 -16.641 0.449 1.00 0.69 H new ATOM 0 HB3 GLU A 27 13.429 -16.324 2.172 1.00 0.69 H new ATOM 0 HG2 GLU A 27 11.832 -18.464 0.734 1.00 0.75 H new ATOM 0 HG3 GLU A 27 13.214 -18.707 1.784 1.00 0.75 H new ATOM 450 N ASP A 28 12.732 -14.289 -0.510 1.00 0.39 N ATOM 451 CA ASP A 28 13.361 -13.090 -1.060 1.00 0.39 C ATOM 452 C ASP A 28 12.367 -11.942 -1.142 1.00 0.35 C ATOM 453 O ASP A 28 12.686 -10.803 -0.790 1.00 0.38 O ATOM 454 CB ASP A 28 13.944 -13.376 -2.446 1.00 0.46 C ATOM 455 CG ASP A 28 14.610 -12.159 -3.057 1.00 1.01 C ATOM 456 OD1 ASP A 28 15.757 -11.844 -2.672 1.00 1.63 O ATOM 457 OD2 ASP A 28 13.988 -11.510 -3.925 1.00 1.85 O ATOM 0 H ASP A 28 12.724 -15.088 -1.144 1.00 0.39 H new ATOM 0 HA ASP A 28 14.170 -12.800 -0.389 1.00 0.39 H new ATOM 0 HB2 ASP A 28 14.671 -14.185 -2.371 1.00 0.46 H new ATOM 0 HB3 ASP A 28 13.149 -13.722 -3.107 1.00 0.46 H new ATOM 462 N GLY A 29 11.159 -12.254 -1.594 1.00 0.31 N ATOM 463 CA GLY A 29 10.118 -11.256 -1.681 1.00 0.30 C ATOM 464 C GLY A 29 9.756 -10.696 -0.324 1.00 0.26 C ATOM 465 O GLY A 29 9.605 -9.484 -0.169 1.00 0.24 O ATOM 0 H GLY A 29 10.884 -13.186 -1.903 1.00 0.31 H new ATOM 0 HA2 GLY A 29 10.446 -10.446 -2.332 1.00 0.30 H new ATOM 0 HA3 GLY A 29 9.232 -11.695 -2.140 1.00 0.30 H new ATOM 469 N ALA A 30 9.624 -11.579 0.661 1.00 0.24 N ATOM 470 CA ALA A 30 9.310 -11.176 2.026 1.00 0.23 C ATOM 471 C ALA A 30 10.318 -10.166 2.552 1.00 0.22 C ATOM 472 O ALA A 30 9.943 -9.131 3.101 1.00 0.21 O ATOM 473 CB ALA A 30 9.260 -12.393 2.940 1.00 0.24 C ATOM 0 H ALA A 30 9.731 -12.586 0.537 1.00 0.24 H new ATOM 0 HA ALA A 30 8.330 -10.699 2.015 1.00 0.23 H new ATOM 0 HB1 ALA A 30 9.024 -12.076 3.956 1.00 0.24 H new ATOM 0 HB2 ALA A 30 8.492 -13.081 2.588 1.00 0.24 H new ATOM 0 HB3 ALA A 30 10.228 -12.894 2.932 1.00 0.24 H new ATOM 479 N ASP A 31 11.599 -10.460 2.376 1.00 0.24 N ATOM 480 CA ASP A 31 12.651 -9.566 2.847 1.00 0.25 C ATOM 481 C ASP A 31 12.595 -8.234 2.110 1.00 0.23 C ATOM 482 O ASP A 31 12.788 -7.172 2.706 1.00 0.22 O ATOM 483 CB ASP A 31 14.029 -10.197 2.670 1.00 0.30 C ATOM 484 CG ASP A 31 15.120 -9.359 3.303 1.00 0.77 C ATOM 485 OD1 ASP A 31 15.256 -9.404 4.545 1.00 1.46 O ATOM 486 OD2 ASP A 31 15.839 -8.651 2.570 1.00 1.34 O ATOM 0 H ASP A 31 11.935 -11.305 1.914 1.00 0.24 H new ATOM 0 HA ASP A 31 12.484 -9.391 3.910 1.00 0.25 H new ATOM 0 HB2 ASP A 31 14.032 -11.192 3.114 1.00 0.30 H new ATOM 0 HB3 ASP A 31 14.237 -10.321 1.607 1.00 0.30 H new ATOM 491 N SER A 32 12.300 -8.297 0.818 1.00 0.24 N ATOM 492 CA SER A 32 12.196 -7.099 -0.001 1.00 0.23 C ATOM 493 C SER A 32 11.014 -6.242 0.461 1.00 0.20 C ATOM 494 O SER A 32 11.045 -5.016 0.362 1.00 0.22 O ATOM 495 CB SER A 32 12.049 -7.481 -1.477 1.00 0.25 C ATOM 496 OG SER A 32 12.299 -6.373 -2.326 1.00 0.92 O ATOM 0 H SER A 32 12.128 -9.168 0.315 1.00 0.24 H new ATOM 0 HA SER A 32 13.107 -6.512 0.112 1.00 0.23 H new ATOM 0 HB2 SER A 32 12.742 -8.288 -1.716 1.00 0.25 H new ATOM 0 HB3 SER A 32 11.043 -7.860 -1.658 1.00 0.25 H new ATOM 0 HG SER A 32 11.462 -6.092 -2.752 1.00 0.92 H new ATOM 502 N LEU A 33 9.976 -6.892 0.979 1.00 0.17 N ATOM 503 CA LEU A 33 8.837 -6.176 1.543 1.00 0.15 C ATOM 504 C LEU A 33 9.200 -5.577 2.894 1.00 0.14 C ATOM 505 O LEU A 33 8.759 -4.480 3.236 1.00 0.13 O ATOM 506 CB LEU A 33 7.631 -7.104 1.702 1.00 0.16 C ATOM 507 CG LEU A 33 7.054 -7.663 0.403 1.00 0.18 C ATOM 508 CD1 LEU A 33 5.897 -8.601 0.704 1.00 0.21 C ATOM 509 CD2 LEU A 33 6.606 -6.532 -0.514 1.00 0.19 C ATOM 0 H LEU A 33 9.900 -7.908 1.020 1.00 0.17 H new ATOM 0 HA LEU A 33 8.574 -5.374 0.853 1.00 0.15 H new ATOM 0 HB2 LEU A 33 7.919 -7.939 2.340 1.00 0.16 H new ATOM 0 HB3 LEU A 33 6.844 -6.561 2.225 1.00 0.16 H new ATOM 0 HG LEU A 33 7.833 -8.227 -0.110 1.00 0.18 H new ATOM 0 HD11 LEU A 33 5.494 -8.993 -0.230 1.00 0.21 H new ATOM 0 HD12 LEU A 33 6.249 -9.427 1.322 1.00 0.21 H new ATOM 0 HD13 LEU A 33 5.116 -8.057 1.236 1.00 0.21 H new ATOM 0 HD21 LEU A 33 6.198 -6.950 -1.434 1.00 0.19 H new ATOM 0 HD22 LEU A 33 5.840 -5.939 -0.014 1.00 0.19 H new ATOM 0 HD23 LEU A 33 7.459 -5.896 -0.751 1.00 0.19 H new ATOM 521 N ASN A 34 10.008 -6.304 3.656 1.00 0.15 N ATOM 522 CA ASN A 34 10.460 -5.840 4.963 1.00 0.16 C ATOM 523 C ASN A 34 11.214 -4.526 4.841 1.00 0.16 C ATOM 524 O ASN A 34 10.902 -3.557 5.535 1.00 0.16 O ATOM 525 CB ASN A 34 11.344 -6.886 5.644 1.00 0.18 C ATOM 526 CG ASN A 34 10.547 -7.885 6.462 1.00 0.18 C ATOM 527 OD1 ASN A 34 10.299 -7.670 7.649 1.00 0.19 O ATOM 528 ND2 ASN A 34 10.137 -8.977 5.842 1.00 0.21 N ATOM 0 H ASN A 34 10.365 -7.222 3.390 1.00 0.15 H new ATOM 0 HA ASN A 34 9.574 -5.681 5.578 1.00 0.16 H new ATOM 0 HB2 ASN A 34 11.918 -7.419 4.886 1.00 0.18 H new ATOM 0 HB3 ASN A 34 12.062 -6.383 6.292 1.00 0.18 H new ATOM 0 HD21 ASN A 34 9.595 -9.678 6.348 1.00 0.21 H new ATOM 0 HD22 ASN A 34 10.362 -9.120 4.857 1.00 0.21 H new ATOM 535 N VAL A 35 12.186 -4.482 3.938 1.00 0.17 N ATOM 536 CA VAL A 35 12.976 -3.277 3.744 1.00 0.19 C ATOM 537 C VAL A 35 12.118 -2.169 3.135 1.00 0.18 C ATOM 538 O VAL A 35 12.316 -0.990 3.426 1.00 0.20 O ATOM 539 CB VAL A 35 14.220 -3.535 2.860 1.00 0.22 C ATOM 540 CG1 VAL A 35 15.116 -4.584 3.496 1.00 0.25 C ATOM 541 CG2 VAL A 35 13.826 -3.956 1.453 1.00 0.22 C ATOM 0 H VAL A 35 12.443 -5.262 3.333 1.00 0.17 H new ATOM 0 HA VAL A 35 13.329 -2.960 4.725 1.00 0.19 H new ATOM 0 HB VAL A 35 14.773 -2.599 2.785 1.00 0.22 H new ATOM 0 HG11 VAL A 35 15.986 -4.753 2.861 1.00 0.25 H new ATOM 0 HG12 VAL A 35 15.444 -4.237 4.476 1.00 0.25 H new ATOM 0 HG13 VAL A 35 14.562 -5.516 3.608 1.00 0.25 H new ATOM 0 HG21 VAL A 35 14.724 -4.129 0.860 1.00 0.22 H new ATOM 0 HG22 VAL A 35 13.239 -4.873 1.499 1.00 0.22 H new ATOM 0 HG23 VAL A 35 13.232 -3.168 0.990 1.00 0.22 H new ATOM 551 N ALA A 36 11.146 -2.561 2.315 1.00 0.16 N ATOM 552 CA ALA A 36 10.223 -1.610 1.711 1.00 0.16 C ATOM 553 C ALA A 36 9.400 -0.909 2.783 1.00 0.15 C ATOM 554 O ALA A 36 9.282 0.317 2.784 1.00 0.15 O ATOM 555 CB ALA A 36 9.308 -2.308 0.716 1.00 0.18 C ATOM 0 H ALA A 36 10.979 -3.533 2.055 1.00 0.16 H new ATOM 0 HA ALA A 36 10.807 -0.861 1.177 1.00 0.16 H new ATOM 0 HB1 ALA A 36 8.626 -1.580 0.276 1.00 0.18 H new ATOM 0 HB2 ALA A 36 9.908 -2.765 -0.071 1.00 0.18 H new ATOM 0 HB3 ALA A 36 8.734 -3.079 1.229 1.00 0.18 H new ATOM 561 N MET A 37 8.839 -1.693 3.700 1.00 0.14 N ATOM 562 CA MET A 37 8.034 -1.153 4.789 1.00 0.14 C ATOM 563 C MET A 37 8.809 -0.144 5.620 1.00 0.15 C ATOM 564 O MET A 37 8.279 0.910 5.974 1.00 0.18 O ATOM 565 CB MET A 37 7.534 -2.270 5.701 1.00 0.16 C ATOM 566 CG MET A 37 6.411 -3.098 5.100 1.00 0.16 C ATOM 567 SD MET A 37 5.767 -4.331 6.247 1.00 0.21 S ATOM 568 CE MET A 37 7.194 -5.391 6.462 1.00 0.19 C ATOM 0 H MET A 37 8.929 -2.709 3.709 1.00 0.14 H new ATOM 0 HA MET A 37 7.185 -0.647 4.330 1.00 0.14 H new ATOM 0 HB2 MET A 37 8.368 -2.928 5.944 1.00 0.16 H new ATOM 0 HB3 MET A 37 7.189 -1.834 6.638 1.00 0.16 H new ATOM 0 HG2 MET A 37 5.602 -2.436 4.792 1.00 0.16 H new ATOM 0 HG3 MET A 37 6.774 -3.597 4.202 1.00 0.16 H new ATOM 0 HE1 MET A 37 6.912 -6.267 7.046 1.00 0.19 H new ATOM 0 HE2 MET A 37 7.562 -5.709 5.486 1.00 0.19 H new ATOM 0 HE3 MET A 37 7.978 -4.844 6.985 1.00 0.19 H new ATOM 578 N ASP A 38 10.060 -0.461 5.936 1.00 0.17 N ATOM 579 CA ASP A 38 10.868 0.423 6.766 1.00 0.23 C ATOM 580 C ASP A 38 11.176 1.722 6.031 1.00 0.19 C ATOM 581 O ASP A 38 11.309 2.774 6.647 1.00 0.22 O ATOM 582 CB ASP A 38 12.162 -0.256 7.210 1.00 0.33 C ATOM 583 CG ASP A 38 12.883 0.546 8.278 1.00 0.89 C ATOM 584 OD1 ASP A 38 12.374 0.619 9.417 1.00 1.68 O ATOM 585 OD2 ASP A 38 13.958 1.110 7.989 1.00 1.41 O ATOM 0 H ASP A 38 10.532 -1.313 5.634 1.00 0.17 H new ATOM 0 HA ASP A 38 10.288 0.656 7.659 1.00 0.23 H new ATOM 0 HB2 ASP A 38 11.937 -1.251 7.593 1.00 0.33 H new ATOM 0 HB3 ASP A 38 12.818 -0.387 6.349 1.00 0.33 H new ATOM 590 N CYS A 39 11.256 1.648 4.708 1.00 0.17 N ATOM 591 CA CYS A 39 11.456 2.842 3.891 1.00 0.18 C ATOM 592 C CYS A 39 10.195 3.703 3.908 1.00 0.16 C ATOM 593 O CYS A 39 10.262 4.934 3.964 1.00 0.19 O ATOM 594 CB CYS A 39 11.824 2.460 2.455 1.00 0.20 C ATOM 595 SG CYS A 39 13.365 1.526 2.313 1.00 0.26 S ATOM 0 H CYS A 39 11.186 0.779 4.179 1.00 0.17 H new ATOM 0 HA CYS A 39 12.281 3.417 4.311 1.00 0.18 H new ATOM 0 HB2 CYS A 39 11.013 1.870 2.028 1.00 0.20 H new ATOM 0 HB3 CYS A 39 11.906 3.368 1.858 1.00 0.20 H new ATOM 0 HG CYS A 39 13.161 0.295 2.678 1.00 0.26 H new ATOM 601 N ILE A 40 9.042 3.044 3.885 1.00 0.13 N ATOM 602 CA ILE A 40 7.764 3.731 4.011 1.00 0.13 C ATOM 603 C ILE A 40 7.678 4.393 5.385 1.00 0.15 C ATOM 604 O ILE A 40 7.221 5.528 5.527 1.00 0.16 O ATOM 605 CB ILE A 40 6.582 2.751 3.832 1.00 0.13 C ATOM 606 CG1 ILE A 40 6.655 2.080 2.457 1.00 0.14 C ATOM 607 CG2 ILE A 40 5.251 3.472 4.003 1.00 0.16 C ATOM 608 CD1 ILE A 40 5.619 0.994 2.249 1.00 0.16 C ATOM 0 H ILE A 40 8.967 2.032 3.780 1.00 0.13 H new ATOM 0 HA ILE A 40 7.700 4.486 3.228 1.00 0.13 H new ATOM 0 HB ILE A 40 6.653 1.982 4.601 1.00 0.13 H new ATOM 0 HG12 ILE A 40 6.531 2.840 1.686 1.00 0.14 H new ATOM 0 HG13 ILE A 40 7.648 1.651 2.325 1.00 0.14 H new ATOM 0 HG21 ILE A 40 4.434 2.763 3.873 1.00 0.16 H new ATOM 0 HG22 ILE A 40 5.198 3.907 5.001 1.00 0.16 H new ATOM 0 HG23 ILE A 40 5.167 4.263 3.258 1.00 0.16 H new ATOM 0 HD11 ILE A 40 5.735 0.567 1.253 1.00 0.16 H new ATOM 0 HD12 ILE A 40 5.756 0.213 2.997 1.00 0.16 H new ATOM 0 HD13 ILE A 40 4.621 1.420 2.347 1.00 0.16 H new ATOM 620 N SER A 41 8.164 3.674 6.389 1.00 0.21 N ATOM 621 CA SER A 41 8.197 4.176 7.752 1.00 0.28 C ATOM 622 C SER A 41 9.124 5.381 7.848 1.00 0.30 C ATOM 623 O SER A 41 8.804 6.370 8.497 1.00 0.34 O ATOM 624 CB SER A 41 8.673 3.078 8.697 1.00 0.37 C ATOM 625 OG SER A 41 7.949 1.878 8.488 1.00 1.13 O ATOM 0 H SER A 41 8.543 2.733 6.280 1.00 0.21 H new ATOM 0 HA SER A 41 7.191 4.484 8.038 1.00 0.28 H new ATOM 0 HB2 SER A 41 9.737 2.897 8.543 1.00 0.37 H new ATOM 0 HB3 SER A 41 8.552 3.405 9.730 1.00 0.37 H new ATOM 0 HG SER A 41 8.216 1.480 7.633 1.00 1.13 H new ATOM 631 N GLU A 42 10.265 5.289 7.179 1.00 0.32 N ATOM 632 CA GLU A 42 11.254 6.360 7.170 1.00 0.37 C ATOM 633 C GLU A 42 10.702 7.609 6.479 1.00 0.31 C ATOM 634 O GLU A 42 11.185 8.721 6.694 1.00 0.44 O ATOM 635 CB GLU A 42 12.522 5.883 6.457 1.00 0.46 C ATOM 636 CG GLU A 42 13.751 6.718 6.768 1.00 0.59 C ATOM 637 CD GLU A 42 14.125 6.659 8.233 1.00 1.45 C ATOM 638 OE1 GLU A 42 14.631 5.610 8.678 1.00 2.00 O ATOM 639 OE2 GLU A 42 13.913 7.662 8.950 1.00 2.23 O ATOM 0 H GLU A 42 10.531 4.473 6.628 1.00 0.32 H new ATOM 0 HA GLU A 42 11.493 6.620 8.201 1.00 0.37 H new ATOM 0 HB2 GLU A 42 12.717 4.848 6.737 1.00 0.46 H new ATOM 0 HB3 GLU A 42 12.349 5.895 5.381 1.00 0.46 H new ATOM 0 HG2 GLU A 42 14.589 6.366 6.166 1.00 0.59 H new ATOM 0 HG3 GLU A 42 13.566 7.754 6.483 1.00 0.59 H new ATOM 646 N ALA A 43 9.693 7.414 5.642 1.00 0.18 N ATOM 647 CA ALA A 43 9.076 8.518 4.923 1.00 0.16 C ATOM 648 C ALA A 43 8.075 9.277 5.794 1.00 0.17 C ATOM 649 O ALA A 43 8.028 10.506 5.765 1.00 0.25 O ATOM 650 CB ALA A 43 8.394 8.009 3.663 1.00 0.19 C ATOM 0 H ALA A 43 9.284 6.501 5.444 1.00 0.18 H new ATOM 0 HA ALA A 43 9.868 9.214 4.649 1.00 0.16 H new ATOM 0 HB1 ALA A 43 7.936 8.845 3.134 1.00 0.19 H new ATOM 0 HB2 ALA A 43 9.131 7.531 3.018 1.00 0.19 H new ATOM 0 HB3 ALA A 43 7.625 7.285 3.933 1.00 0.19 H new ATOM 656 N PHE A 44 7.276 8.551 6.571 1.00 0.19 N ATOM 657 CA PHE A 44 6.199 9.181 7.332 1.00 0.26 C ATOM 658 C PHE A 44 6.500 9.262 8.830 1.00 0.30 C ATOM 659 O PHE A 44 5.813 9.965 9.573 1.00 0.35 O ATOM 660 CB PHE A 44 4.879 8.442 7.103 1.00 0.27 C ATOM 661 CG PHE A 44 4.432 8.456 5.671 1.00 0.27 C ATOM 662 CD1 PHE A 44 3.905 9.606 5.113 1.00 1.10 C ATOM 663 CD2 PHE A 44 4.539 7.322 4.883 1.00 1.15 C ATOM 664 CE1 PHE A 44 3.494 9.626 3.797 1.00 1.13 C ATOM 665 CE2 PHE A 44 4.128 7.337 3.564 1.00 1.15 C ATOM 666 CZ PHE A 44 3.603 8.492 3.021 1.00 0.31 C ATOM 0 H PHE A 44 7.351 7.541 6.690 1.00 0.19 H new ATOM 0 HA PHE A 44 6.115 10.204 6.965 1.00 0.26 H new ATOM 0 HB2 PHE A 44 4.987 7.409 7.433 1.00 0.27 H new ATOM 0 HB3 PHE A 44 4.105 8.895 7.723 1.00 0.27 H new ATOM 0 HD1 PHE A 44 3.814 10.498 5.714 1.00 1.10 H new ATOM 0 HD2 PHE A 44 4.948 6.416 5.304 1.00 1.15 H new ATOM 0 HE1 PHE A 44 3.086 10.532 3.373 1.00 1.13 H new ATOM 0 HE2 PHE A 44 4.217 6.447 2.959 1.00 1.15 H new ATOM 0 HZ PHE A 44 3.278 8.507 1.991 1.00 0.31 H new ATOM 676 N GLY A 45 7.526 8.542 9.264 1.00 0.29 N ATOM 677 CA GLY A 45 7.920 8.559 10.662 1.00 0.35 C ATOM 678 C GLY A 45 6.946 7.814 11.556 1.00 0.37 C ATOM 679 O GLY A 45 6.410 8.383 12.506 1.00 0.43 O ATOM 0 H GLY A 45 8.097 7.942 8.669 1.00 0.29 H new ATOM 0 HA2 GLY A 45 8.910 8.114 10.761 1.00 0.35 H new ATOM 0 HA3 GLY A 45 7.999 9.592 11.000 1.00 0.35 H new ATOM 683 N PHE A 46 6.716 6.542 11.259 1.00 0.36 N ATOM 684 CA PHE A 46 5.783 5.737 12.040 1.00 0.39 C ATOM 685 C PHE A 46 6.242 4.281 12.087 1.00 0.40 C ATOM 686 O PHE A 46 7.096 3.868 11.302 1.00 0.41 O ATOM 687 CB PHE A 46 4.365 5.834 11.457 1.00 0.37 C ATOM 688 CG PHE A 46 4.168 5.092 10.160 1.00 0.30 C ATOM 689 CD1 PHE A 46 4.819 5.491 9.004 1.00 1.27 C ATOM 690 CD2 PHE A 46 3.320 3.998 10.101 1.00 1.17 C ATOM 691 CE1 PHE A 46 4.631 4.812 7.816 1.00 1.26 C ATOM 692 CE2 PHE A 46 3.129 3.316 8.917 1.00 1.18 C ATOM 693 CZ PHE A 46 3.785 3.723 7.773 1.00 0.22 C ATOM 0 H PHE A 46 7.160 6.046 10.486 1.00 0.36 H new ATOM 0 HA PHE A 46 5.763 6.127 13.058 1.00 0.39 H new ATOM 0 HB2 PHE A 46 3.657 5.450 12.191 1.00 0.37 H new ATOM 0 HB3 PHE A 46 4.122 6.885 11.300 1.00 0.37 H new ATOM 0 HD1 PHE A 46 5.482 6.343 9.032 1.00 1.27 H new ATOM 0 HD2 PHE A 46 2.802 3.675 10.992 1.00 1.17 H new ATOM 0 HE1 PHE A 46 5.145 5.133 6.922 1.00 1.26 H new ATOM 0 HE2 PHE A 46 2.466 2.464 8.885 1.00 1.18 H new ATOM 0 HZ PHE A 46 3.636 3.190 6.846 1.00 0.22 H new ATOM 703 N GLU A 47 5.674 3.516 13.008 1.00 0.42 N ATOM 704 CA GLU A 47 6.019 2.107 13.170 1.00 0.44 C ATOM 705 C GLU A 47 4.948 1.232 12.535 1.00 0.40 C ATOM 706 O GLU A 47 3.801 1.651 12.389 1.00 0.39 O ATOM 707 CB GLU A 47 6.142 1.757 14.652 1.00 0.53 C ATOM 708 CG GLU A 47 7.251 2.502 15.373 1.00 0.59 C ATOM 709 CD GLU A 47 7.329 2.138 16.840 1.00 1.14 C ATOM 710 OE1 GLU A 47 6.660 2.803 17.661 1.00 1.92 O ATOM 711 OE2 GLU A 47 8.056 1.183 17.182 1.00 1.56 O ATOM 0 H GLU A 47 4.965 3.850 13.661 1.00 0.42 H new ATOM 0 HA GLU A 47 6.975 1.928 12.679 1.00 0.44 H new ATOM 0 HB2 GLU A 47 5.194 1.972 15.145 1.00 0.53 H new ATOM 0 HB3 GLU A 47 6.316 0.685 14.748 1.00 0.53 H new ATOM 0 HG2 GLU A 47 8.205 2.280 14.895 1.00 0.59 H new ATOM 0 HG3 GLU A 47 7.088 3.575 15.276 1.00 0.59 H new ATOM 718 N ARG A 48 5.314 -0.001 12.198 1.00 0.41 N ATOM 719 CA ARG A 48 4.407 -0.914 11.513 1.00 0.40 C ATOM 720 C ARG A 48 3.441 -1.542 12.507 1.00 0.41 C ATOM 721 O ARG A 48 2.458 -2.169 12.121 1.00 0.43 O ATOM 722 CB ARG A 48 5.179 -2.019 10.775 1.00 0.44 C ATOM 723 CG ARG A 48 5.877 -1.557 9.504 1.00 0.61 C ATOM 724 CD ARG A 48 7.076 -0.669 9.793 1.00 0.91 C ATOM 725 NE ARG A 48 8.170 -1.398 10.433 1.00 1.18 N ATOM 726 CZ ARG A 48 9.435 -0.974 10.454 1.00 1.88 C ATOM 727 NH1 ARG A 48 9.759 0.186 9.900 1.00 2.57 N ATOM 728 NH2 ARG A 48 10.375 -1.704 11.036 1.00 2.20 N ATOM 0 H ARG A 48 6.237 -0.391 12.389 1.00 0.41 H new ATOM 0 HA ARG A 48 3.847 -0.336 10.778 1.00 0.40 H new ATOM 0 HB2 ARG A 48 5.923 -2.439 11.451 1.00 0.44 H new ATOM 0 HB3 ARG A 48 4.487 -2.823 10.523 1.00 0.44 H new ATOM 0 HG2 ARG A 48 6.202 -2.427 8.934 1.00 0.61 H new ATOM 0 HG3 ARG A 48 5.168 -1.014 8.880 1.00 0.61 H new ATOM 0 HD2 ARG A 48 7.432 -0.230 8.861 1.00 0.91 H new ATOM 0 HD3 ARG A 48 6.767 0.155 10.436 1.00 0.91 H new ATOM 0 HE ARG A 48 7.953 -2.283 10.891 1.00 1.18 H new ATOM 0 HH11 ARG A 48 9.040 0.757 9.456 1.00 2.57 H new ATOM 0 HH12 ARG A 48 10.727 0.507 9.918 1.00 2.57 H new ATOM 0 HH21 ARG A 48 10.133 -2.594 11.471 1.00 2.20 H new ATOM 0 HH22 ARG A 48 11.341 -1.376 11.049 1.00 2.20 H new ATOM 742 N GLU A 49 3.742 -1.387 13.787 1.00 0.42 N ATOM 743 CA GLU A 49 2.898 -1.925 14.840 1.00 0.46 C ATOM 744 C GLU A 49 1.882 -0.885 15.294 1.00 0.42 C ATOM 745 O GLU A 49 0.840 -1.221 15.853 1.00 0.46 O ATOM 746 CB GLU A 49 3.753 -2.370 16.022 1.00 0.56 C ATOM 747 CG GLU A 49 4.815 -3.390 15.649 1.00 1.14 C ATOM 748 CD GLU A 49 5.654 -3.805 16.834 1.00 1.54 C ATOM 749 OE1 GLU A 49 6.627 -3.093 17.158 1.00 2.23 O ATOM 750 OE2 GLU A 49 5.346 -4.846 17.450 1.00 2.06 O ATOM 0 H GLU A 49 4.568 -0.891 14.122 1.00 0.42 H new ATOM 0 HA GLU A 49 2.361 -2.787 14.446 1.00 0.46 H new ATOM 0 HB2 GLU A 49 4.237 -1.497 16.460 1.00 0.56 H new ATOM 0 HB3 GLU A 49 3.106 -2.795 16.789 1.00 0.56 H new ATOM 0 HG2 GLU A 49 4.335 -4.270 15.220 1.00 1.14 H new ATOM 0 HG3 GLU A 49 5.462 -2.972 14.878 1.00 1.14 H new ATOM 757 N ALA A 50 2.181 0.379 15.019 1.00 0.40 N ATOM 758 CA ALA A 50 1.320 1.480 15.433 1.00 0.42 C ATOM 759 C ALA A 50 0.135 1.633 14.487 1.00 0.37 C ATOM 760 O ALA A 50 -0.739 2.474 14.702 1.00 0.41 O ATOM 761 CB ALA A 50 2.117 2.774 15.495 1.00 0.48 C ATOM 0 H ALA A 50 3.016 0.667 14.509 1.00 0.40 H new ATOM 0 HA ALA A 50 0.932 1.255 16.427 1.00 0.42 H new ATOM 0 HB1 ALA A 50 1.463 3.589 15.805 1.00 0.48 H new ATOM 0 HB2 ALA A 50 2.930 2.667 16.214 1.00 0.48 H new ATOM 0 HB3 ALA A 50 2.530 2.995 14.511 1.00 0.48 H new ATOM 767 N VAL A 51 0.132 0.817 13.434 1.00 0.33 N ATOM 768 CA VAL A 51 -0.930 0.833 12.431 1.00 0.31 C ATOM 769 C VAL A 51 -2.326 0.843 13.051 1.00 0.36 C ATOM 770 O VAL A 51 -3.152 1.666 12.678 1.00 0.41 O ATOM 771 CB VAL A 51 -0.816 -0.353 11.445 1.00 0.29 C ATOM 772 CG1 VAL A 51 0.398 -0.185 10.549 1.00 0.27 C ATOM 773 CG2 VAL A 51 -0.748 -1.686 12.179 1.00 0.33 C ATOM 0 H VAL A 51 0.863 0.129 13.253 1.00 0.33 H new ATOM 0 HA VAL A 51 -0.793 1.764 11.882 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.714 -0.356 10.828 1.00 0.29 H new ATOM 0 HG11 VAL A 51 0.462 -1.029 9.862 1.00 0.27 H new ATOM 0 HG12 VAL A 51 0.305 0.740 9.980 1.00 0.27 H new ATOM 0 HG13 VAL A 51 1.299 -0.146 11.161 1.00 0.27 H new ATOM 0 HG21 VAL A 51 -0.668 -2.497 11.455 1.00 0.33 H new ATOM 0 HG22 VAL A 51 0.124 -1.697 12.833 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -1.651 -1.820 12.775 1.00 0.33 H new ATOM 783 N SER A 52 -2.576 -0.038 14.014 1.00 0.37 N ATOM 784 CA SER A 52 -3.905 -0.170 14.603 1.00 0.45 C ATOM 785 C SER A 52 -4.353 1.138 15.257 1.00 0.48 C ATOM 786 O SER A 52 -5.492 1.573 15.077 1.00 0.51 O ATOM 787 CB SER A 52 -3.909 -1.313 15.617 1.00 0.53 C ATOM 788 OG SER A 52 -2.816 -1.198 16.517 1.00 1.24 O ATOM 0 H SER A 52 -1.877 -0.671 14.403 1.00 0.37 H new ATOM 0 HA SER A 52 -4.615 -0.398 13.808 1.00 0.45 H new ATOM 0 HB2 SER A 52 -4.846 -1.307 16.174 1.00 0.53 H new ATOM 0 HB3 SER A 52 -3.856 -2.268 15.094 1.00 0.53 H new ATOM 0 HG SER A 52 -2.840 -1.939 17.158 1.00 1.24 H new ATOM 794 N GLY A 53 -3.444 1.755 16.006 1.00 0.51 N ATOM 795 CA GLY A 53 -3.727 3.034 16.631 1.00 0.57 C ATOM 796 C GLY A 53 -4.138 4.092 15.628 1.00 0.55 C ATOM 797 O GLY A 53 -5.078 4.850 15.862 1.00 0.59 O ATOM 0 H GLY A 53 -2.510 1.389 16.192 1.00 0.51 H new ATOM 0 HA2 GLY A 53 -4.521 2.907 17.367 1.00 0.57 H new ATOM 0 HA3 GLY A 53 -2.844 3.374 17.171 1.00 0.57 H new ATOM 801 N ILE A 54 -3.440 4.135 14.502 1.00 0.50 N ATOM 802 CA ILE A 54 -3.744 5.091 13.445 1.00 0.51 C ATOM 803 C ILE A 54 -5.038 4.707 12.724 1.00 0.50 C ATOM 804 O ILE A 54 -5.931 5.531 12.542 1.00 0.57 O ATOM 805 CB ILE A 54 -2.593 5.169 12.419 1.00 0.49 C ATOM 806 CG1 ILE A 54 -1.270 5.479 13.126 1.00 0.48 C ATOM 807 CG2 ILE A 54 -2.891 6.225 11.362 1.00 0.55 C ATOM 808 CD1 ILE A 54 -0.063 5.436 12.213 1.00 0.49 C ATOM 0 H ILE A 54 -2.656 3.516 14.296 1.00 0.50 H new ATOM 0 HA ILE A 54 -3.868 6.068 13.913 1.00 0.51 H new ATOM 0 HB ILE A 54 -2.504 4.202 11.924 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -1.335 6.468 13.580 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -1.126 4.765 13.937 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -2.069 6.266 10.647 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -3.813 5.968 10.841 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -3.004 7.197 11.841 1.00 0.55 H new ATOM 0 HD11 ILE A 54 0.835 5.666 12.786 1.00 0.49 H new ATOM 0 HD12 ILE A 54 0.029 4.441 11.778 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -0.183 6.170 11.416 1.00 0.49 H new ATOM 820 N LEU A 55 -5.117 3.443 12.322 1.00 0.47 N ATOM 821 CA LEU A 55 -6.271 2.922 11.590 1.00 0.48 C ATOM 822 C LEU A 55 -7.575 3.147 12.349 1.00 0.55 C ATOM 823 O LEU A 55 -8.568 3.563 11.762 1.00 0.65 O ATOM 824 CB LEU A 55 -6.094 1.431 11.294 1.00 0.48 C ATOM 825 CG LEU A 55 -4.878 1.084 10.433 1.00 0.46 C ATOM 826 CD1 LEU A 55 -4.823 -0.410 10.160 1.00 0.52 C ATOM 827 CD2 LEU A 55 -4.904 1.871 9.133 1.00 0.46 C ATOM 0 H LEU A 55 -4.387 2.751 12.492 1.00 0.47 H new ATOM 0 HA LEU A 55 -6.329 3.471 10.650 1.00 0.48 H new ATOM 0 HB2 LEU A 55 -6.016 0.895 12.240 1.00 0.48 H new ATOM 0 HB3 LEU A 55 -6.991 1.066 10.794 1.00 0.48 H new ATOM 0 HG LEU A 55 -3.977 1.361 10.981 1.00 0.46 H new ATOM 0 HD11 LEU A 55 -3.951 -0.636 9.546 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -4.752 -0.950 11.104 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -5.727 -0.717 9.634 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -4.032 1.612 8.533 1.00 0.46 H new ATOM 0 HD22 LEU A 55 -5.811 1.628 8.579 1.00 0.46 H new ATOM 0 HD23 LEU A 55 -4.888 2.938 9.353 1.00 0.46 H new ATOM 1167 N LYS B 5 -2.115 -10.614 -4.201 1.00 0.41 N ATOM 1168 CA LYS B 5 -1.256 -9.669 -3.508 1.00 0.36 C ATOM 1169 C LYS B 5 -0.572 -8.750 -4.510 1.00 0.27 C ATOM 1170 O LYS B 5 -0.150 -7.648 -4.169 1.00 0.25 O ATOM 1171 CB LYS B 5 -0.226 -10.412 -2.651 1.00 0.42 C ATOM 1172 CG LYS B 5 0.682 -11.343 -3.437 1.00 0.41 C ATOM 1173 CD LYS B 5 1.587 -12.144 -2.513 1.00 0.54 C ATOM 1174 CE LYS B 5 0.835 -13.274 -1.826 1.00 0.73 C ATOM 1175 NZ LYS B 5 0.400 -14.322 -2.787 1.00 1.14 N ATOM 0 HA LYS B 5 -1.867 -9.057 -2.845 1.00 0.36 H new ATOM 0 HB2 LYS B 5 0.389 -9.681 -2.126 1.00 0.42 H new ATOM 0 HB3 LYS B 5 -0.751 -10.991 -1.891 1.00 0.42 H new ATOM 0 HG2 LYS B 5 0.077 -12.023 -4.037 1.00 0.41 H new ATOM 0 HG3 LYS B 5 1.290 -10.762 -4.130 1.00 0.41 H new ATOM 0 HD2 LYS B 5 2.418 -12.556 -3.086 1.00 0.54 H new ATOM 0 HD3 LYS B 5 2.015 -11.482 -1.760 1.00 0.54 H new ATOM 0 HE2 LYS B 5 1.473 -13.723 -1.065 1.00 0.73 H new ATOM 0 HE3 LYS B 5 -0.037 -12.869 -1.313 1.00 0.73 H new ATOM 0 HZ1 LYS B 5 0.173 -15.195 -2.269 1.00 1.14 H new ATOM 0 HZ2 LYS B 5 -0.443 -13.994 -3.300 1.00 1.14 H new ATOM 0 HZ3 LYS B 5 1.166 -14.511 -3.465 1.00 1.14 H new ATOM 1189 N GLU B 6 -0.483 -9.217 -5.750 1.00 0.29 N ATOM 1190 CA GLU B 6 0.053 -8.422 -6.845 1.00 0.36 C ATOM 1191 C GLU B 6 -0.878 -7.252 -7.163 1.00 0.38 C ATOM 1192 O GLU B 6 -0.428 -6.129 -7.392 1.00 0.40 O ATOM 1193 CB GLU B 6 0.236 -9.310 -8.078 1.00 0.49 C ATOM 1194 CG GLU B 6 0.700 -8.568 -9.318 1.00 0.99 C ATOM 1195 CD GLU B 6 0.814 -9.480 -10.522 1.00 1.46 C ATOM 1196 OE1 GLU B 6 -0.224 -10.013 -10.970 1.00 2.11 O ATOM 1197 OE2 GLU B 6 1.940 -9.673 -11.026 1.00 2.00 O ATOM 0 H GLU B 6 -0.780 -10.154 -6.023 1.00 0.29 H new ATOM 0 HA GLU B 6 1.020 -8.015 -6.550 1.00 0.36 H new ATOM 0 HB2 GLU B 6 0.959 -10.092 -7.845 1.00 0.49 H new ATOM 0 HB3 GLU B 6 -0.709 -9.806 -8.298 1.00 0.49 H new ATOM 0 HG2 GLU B 6 0.001 -7.762 -9.540 1.00 0.99 H new ATOM 0 HG3 GLU B 6 1.667 -8.106 -9.122 1.00 0.99 H new ATOM 1204 N GLU B 7 -2.180 -7.520 -7.143 1.00 0.41 N ATOM 1205 CA GLU B 7 -3.180 -6.512 -7.479 1.00 0.48 C ATOM 1206 C GLU B 7 -3.223 -5.419 -6.414 1.00 0.40 C ATOM 1207 O GLU B 7 -3.317 -4.229 -6.727 1.00 0.39 O ATOM 1208 CB GLU B 7 -4.555 -7.168 -7.630 1.00 0.61 C ATOM 1209 CG GLU B 7 -4.573 -8.279 -8.669 1.00 0.74 C ATOM 1210 CD GLU B 7 -5.911 -8.980 -8.770 1.00 0.95 C ATOM 1211 OE1 GLU B 7 -6.296 -9.683 -7.810 1.00 1.68 O ATOM 1212 OE2 GLU B 7 -6.574 -8.853 -9.822 1.00 1.25 O ATOM 0 H GLU B 7 -2.568 -8.430 -6.897 1.00 0.41 H new ATOM 0 HA GLU B 7 -2.904 -6.051 -8.427 1.00 0.48 H new ATOM 0 HB2 GLU B 7 -4.866 -7.574 -6.667 1.00 0.61 H new ATOM 0 HB3 GLU B 7 -5.286 -6.408 -7.906 1.00 0.61 H new ATOM 0 HG2 GLU B 7 -4.315 -7.862 -9.642 1.00 0.74 H new ATOM 0 HG3 GLU B 7 -3.804 -9.011 -8.422 1.00 0.74 H new ATOM 1219 N ILE B 8 -3.137 -5.825 -5.155 1.00 0.37 N ATOM 1220 CA ILE B 8 -3.113 -4.872 -4.055 1.00 0.35 C ATOM 1221 C ILE B 8 -1.807 -4.082 -4.063 1.00 0.27 C ATOM 1222 O ILE B 8 -1.812 -2.865 -3.881 1.00 0.24 O ATOM 1223 CB ILE B 8 -3.310 -5.570 -2.691 1.00 0.39 C ATOM 1224 CG1 ILE B 8 -4.677 -6.263 -2.661 1.00 0.54 C ATOM 1225 CG2 ILE B 8 -3.188 -4.567 -1.547 1.00 0.42 C ATOM 1226 CD1 ILE B 8 -4.974 -6.982 -1.363 1.00 0.96 C ATOM 0 H ILE B 8 -3.083 -6.803 -4.871 1.00 0.37 H new ATOM 0 HA ILE B 8 -3.945 -4.183 -4.198 1.00 0.35 H new ATOM 0 HB ILE B 8 -2.529 -6.319 -2.561 1.00 0.39 H new ATOM 0 HG12 ILE B 8 -5.454 -5.519 -2.839 1.00 0.54 H new ATOM 0 HG13 ILE B 8 -4.728 -6.979 -3.481 1.00 0.54 H new ATOM 0 HG21 ILE B 8 -3.330 -5.081 -0.596 1.00 0.42 H new ATOM 0 HG22 ILE B 8 -2.199 -4.110 -1.568 1.00 0.42 H new ATOM 0 HG23 ILE B 8 -3.948 -3.793 -1.659 1.00 0.42 H new ATOM 0 HD11 ILE B 8 -5.959 -7.446 -1.421 1.00 0.96 H new ATOM 0 HD12 ILE B 8 -4.220 -7.751 -1.192 1.00 0.96 H new ATOM 0 HD13 ILE B 8 -4.957 -6.268 -0.540 1.00 0.96 H new ATOM 1238 N ALA B 9 -0.693 -4.776 -4.294 1.00 0.24 N ATOM 1239 CA ALA B 9 0.610 -4.125 -4.419 1.00 0.20 C ATOM 1240 C ALA B 9 0.582 -3.058 -5.506 1.00 0.19 C ATOM 1241 O ALA B 9 1.211 -2.005 -5.372 1.00 0.16 O ATOM 1242 CB ALA B 9 1.693 -5.149 -4.713 1.00 0.21 C ATOM 0 H ALA B 9 -0.667 -5.790 -4.398 1.00 0.24 H new ATOM 0 HA ALA B 9 0.837 -3.641 -3.469 1.00 0.20 H new ATOM 0 HB1 ALA B 9 2.655 -4.645 -4.803 1.00 0.21 H new ATOM 0 HB2 ALA B 9 1.738 -5.875 -3.901 1.00 0.21 H new ATOM 0 HB3 ALA B 9 1.464 -5.663 -5.647 1.00 0.21 H new ATOM 1248 N ALA B 10 -0.154 -3.335 -6.579 1.00 0.23 N ATOM 1249 CA ALA B 10 -0.334 -2.374 -7.656 1.00 0.25 C ATOM 1250 C ALA B 10 -0.966 -1.088 -7.131 1.00 0.23 C ATOM 1251 O ALA B 10 -0.467 0.003 -7.390 1.00 0.22 O ATOM 1252 CB ALA B 10 -1.176 -2.973 -8.774 1.00 0.33 C ATOM 0 H ALA B 10 -0.636 -4.222 -6.723 1.00 0.23 H new ATOM 0 HA ALA B 10 0.647 -2.128 -8.063 1.00 0.25 H new ATOM 0 HB1 ALA B 10 -1.299 -2.239 -9.570 1.00 0.33 H new ATOM 0 HB2 ALA B 10 -0.678 -3.858 -9.170 1.00 0.33 H new ATOM 0 HB3 ALA B 10 -2.155 -3.252 -8.383 1.00 0.33 H new ATOM 1258 N LEU B 11 -2.053 -1.221 -6.373 1.00 0.27 N ATOM 1259 CA LEU B 11 -2.700 -0.063 -5.751 1.00 0.29 C ATOM 1260 C LEU B 11 -1.726 0.676 -4.841 1.00 0.26 C ATOM 1261 O LEU B 11 -1.698 1.905 -4.803 1.00 0.29 O ATOM 1262 CB LEU B 11 -3.914 -0.490 -4.919 1.00 0.38 C ATOM 1263 CG LEU B 11 -5.152 -0.925 -5.702 1.00 0.75 C ATOM 1264 CD1 LEU B 11 -6.213 -1.454 -4.751 1.00 1.56 C ATOM 1265 CD2 LEU B 11 -5.706 0.236 -6.511 1.00 0.63 C ATOM 0 H LEU B 11 -2.504 -2.114 -6.174 1.00 0.27 H new ATOM 0 HA LEU B 11 -3.025 0.595 -6.557 1.00 0.29 H new ATOM 0 HB2 LEU B 11 -3.612 -1.313 -4.271 1.00 0.38 H new ATOM 0 HB3 LEU B 11 -4.194 0.340 -4.271 1.00 0.38 H new ATOM 0 HG LEU B 11 -4.865 -1.721 -6.390 1.00 0.75 H new ATOM 0 HD11 LEU B 11 -7.091 -1.761 -5.320 1.00 1.56 H new ATOM 0 HD12 LEU B 11 -5.817 -2.310 -4.204 1.00 1.56 H new ATOM 0 HD13 LEU B 11 -6.493 -0.671 -4.046 1.00 1.56 H new ATOM 0 HD21 LEU B 11 -6.587 -0.092 -7.062 1.00 0.63 H new ATOM 0 HD22 LEU B 11 -5.980 1.049 -5.839 1.00 0.63 H new ATOM 0 HD23 LEU B 11 -4.948 0.585 -7.213 1.00 0.63 H new ATOM 1277 N ILE B 12 -0.934 -0.096 -4.117 1.00 0.21 N ATOM 1278 CA ILE B 12 0.007 0.438 -3.146 1.00 0.20 C ATOM 1279 C ILE B 12 1.076 1.310 -3.804 1.00 0.18 C ATOM 1280 O ILE B 12 1.274 2.460 -3.407 1.00 0.20 O ATOM 1281 CB ILE B 12 0.662 -0.713 -2.356 1.00 0.18 C ATOM 1282 CG1 ILE B 12 -0.397 -1.389 -1.478 1.00 0.22 C ATOM 1283 CG2 ILE B 12 1.829 -0.207 -1.524 1.00 0.20 C ATOM 1284 CD1 ILE B 12 0.079 -2.644 -0.783 1.00 0.24 C ATOM 0 H ILE B 12 -0.925 -1.114 -4.186 1.00 0.21 H new ATOM 0 HA ILE B 12 -0.552 1.074 -2.459 1.00 0.20 H new ATOM 0 HB ILE B 12 1.062 -1.447 -3.055 1.00 0.18 H new ATOM 0 HG12 ILE B 12 -0.736 -0.677 -0.725 1.00 0.22 H new ATOM 0 HG13 ILE B 12 -1.261 -1.635 -2.096 1.00 0.22 H new ATOM 0 HG21 ILE B 12 2.273 -1.038 -0.977 1.00 0.20 H new ATOM 0 HG22 ILE B 12 2.578 0.237 -2.180 1.00 0.20 H new ATOM 0 HG23 ILE B 12 1.474 0.544 -0.818 1.00 0.20 H new ATOM 0 HD11 ILE B 12 -0.732 -3.058 -0.183 1.00 0.24 H new ATOM 0 HD12 ILE B 12 0.390 -3.377 -1.528 1.00 0.24 H new ATOM 0 HD13 ILE B 12 0.923 -2.404 -0.136 1.00 0.24 H new ATOM 1296 N VAL B 13 1.756 0.779 -4.813 1.00 0.16 N ATOM 1297 CA VAL B 13 2.794 1.543 -5.493 1.00 0.16 C ATOM 1298 C VAL B 13 2.178 2.670 -6.321 1.00 0.16 C ATOM 1299 O VAL B 13 2.782 3.728 -6.492 1.00 0.18 O ATOM 1300 CB VAL B 13 3.688 0.653 -6.385 1.00 0.15 C ATOM 1301 CG1 VAL B 13 4.399 -0.400 -5.547 1.00 0.16 C ATOM 1302 CG2 VAL B 13 2.886 -0.002 -7.495 1.00 0.14 C ATOM 0 H VAL B 13 1.611 -0.164 -5.174 1.00 0.16 H new ATOM 0 HA VAL B 13 3.430 1.973 -4.719 1.00 0.16 H new ATOM 0 HB VAL B 13 4.437 1.294 -6.850 1.00 0.15 H new ATOM 0 HG11 VAL B 13 5.024 -1.017 -6.192 1.00 0.16 H new ATOM 0 HG12 VAL B 13 5.022 0.090 -4.799 1.00 0.16 H new ATOM 0 HG13 VAL B 13 3.660 -1.028 -5.049 1.00 0.16 H new ATOM 0 HG21 VAL B 13 3.545 -0.621 -8.104 1.00 0.14 H new ATOM 0 HG22 VAL B 13 2.104 -0.624 -7.060 1.00 0.14 H new ATOM 0 HG23 VAL B 13 2.433 0.768 -8.119 1.00 0.14 H new ATOM 1312 N ASN B 14 0.963 2.436 -6.817 1.00 0.18 N ATOM 1313 CA ASN B 14 0.198 3.464 -7.521 1.00 0.21 C ATOM 1314 C ASN B 14 -0.038 4.660 -6.603 1.00 0.19 C ATOM 1315 O ASN B 14 0.065 5.814 -7.020 1.00 0.20 O ATOM 1316 CB ASN B 14 -1.146 2.895 -7.990 1.00 0.30 C ATOM 1317 CG ASN B 14 -1.991 3.899 -8.754 1.00 0.42 C ATOM 1318 OD1 ASN B 14 -1.472 4.756 -9.467 1.00 0.45 O ATOM 1319 ND2 ASN B 14 -3.303 3.795 -8.610 1.00 0.57 N ATOM 0 H ASN B 14 0.486 1.538 -6.743 1.00 0.18 H new ATOM 0 HA ASN B 14 0.767 3.790 -8.392 1.00 0.21 H new ATOM 0 HB2 ASN B 14 -0.964 2.027 -8.624 1.00 0.30 H new ATOM 0 HB3 ASN B 14 -1.706 2.544 -7.123 1.00 0.30 H new ATOM 0 HD21 ASN B 14 -3.923 4.440 -9.100 1.00 0.57 H new ATOM 0 HD22 ASN B 14 -3.694 3.070 -8.009 1.00 0.57 H new ATOM 1326 N TYR B 15 -0.331 4.362 -5.342 1.00 0.22 N ATOM 1327 CA TYR B 15 -0.579 5.395 -4.350 1.00 0.24 C ATOM 1328 C TYR B 15 0.647 6.278 -4.170 1.00 0.21 C ATOM 1329 O TYR B 15 0.570 7.496 -4.318 1.00 0.23 O ATOM 1330 CB TYR B 15 -0.969 4.781 -3.004 1.00 0.29 C ATOM 1331 CG TYR B 15 -1.264 5.821 -1.945 1.00 0.38 C ATOM 1332 CD1 TYR B 15 -2.281 6.750 -2.128 1.00 1.30 C ATOM 1333 CD2 TYR B 15 -0.518 5.885 -0.774 1.00 1.19 C ATOM 1334 CE1 TYR B 15 -2.549 7.708 -1.174 1.00 1.39 C ATOM 1335 CE2 TYR B 15 -0.782 6.844 0.185 1.00 1.21 C ATOM 1336 CZ TYR B 15 -1.799 7.752 -0.023 1.00 0.64 C ATOM 1337 OH TYR B 15 -2.065 8.711 0.923 1.00 0.79 O ATOM 0 H TYR B 15 -0.402 3.409 -4.984 1.00 0.22 H new ATOM 0 HA TYR B 15 -1.407 6.005 -4.712 1.00 0.24 H new ATOM 0 HB2 TYR B 15 -1.847 4.149 -3.140 1.00 0.29 H new ATOM 0 HB3 TYR B 15 -0.162 4.136 -2.657 1.00 0.29 H new ATOM 0 HD1 TYR B 15 -2.871 6.721 -3.032 1.00 1.30 H new ATOM 0 HD2 TYR B 15 0.279 5.175 -0.611 1.00 1.19 H new ATOM 0 HE1 TYR B 15 -3.345 8.421 -1.330 1.00 1.39 H new ATOM 0 HE2 TYR B 15 -0.196 6.882 1.091 1.00 1.21 H new ATOM 0 HH TYR B 15 -2.809 9.272 0.620 1.00 0.79 H new ATOM 1347 N PHE B 16 1.780 5.656 -3.863 1.00 0.20 N ATOM 1348 CA PHE B 16 3.008 6.400 -3.619 1.00 0.20 C ATOM 1349 C PHE B 16 3.456 7.142 -4.872 1.00 0.19 C ATOM 1350 O PHE B 16 3.987 8.248 -4.781 1.00 0.20 O ATOM 1351 CB PHE B 16 4.122 5.478 -3.118 1.00 0.20 C ATOM 1352 CG PHE B 16 3.828 4.834 -1.788 1.00 0.20 C ATOM 1353 CD1 PHE B 16 3.410 5.599 -0.708 1.00 0.91 C ATOM 1354 CD2 PHE B 16 3.979 3.468 -1.613 1.00 1.04 C ATOM 1355 CE1 PHE B 16 3.148 5.015 0.514 1.00 0.91 C ATOM 1356 CE2 PHE B 16 3.718 2.879 -0.392 1.00 1.04 C ATOM 1357 CZ PHE B 16 3.302 3.652 0.673 1.00 0.22 C ATOM 0 H PHE B 16 1.873 4.644 -3.778 1.00 0.20 H new ATOM 0 HA PHE B 16 2.798 7.135 -2.842 1.00 0.20 H new ATOM 0 HB2 PHE B 16 4.295 4.697 -3.859 1.00 0.20 H new ATOM 0 HB3 PHE B 16 5.046 6.051 -3.037 1.00 0.20 H new ATOM 0 HD1 PHE B 16 3.288 6.666 -0.826 1.00 0.91 H new ATOM 0 HD2 PHE B 16 4.305 2.857 -2.442 1.00 1.04 H new ATOM 0 HE1 PHE B 16 2.823 5.623 1.345 1.00 0.91 H new ATOM 0 HE2 PHE B 16 3.839 1.813 -0.270 1.00 1.04 H new ATOM 0 HZ PHE B 16 3.097 3.192 1.628 1.00 0.22 H new ATOM 1367 N SER B 17 3.225 6.544 -6.038 1.00 0.19 N ATOM 1368 CA SER B 17 3.544 7.197 -7.300 1.00 0.20 C ATOM 1369 C SER B 17 2.734 8.482 -7.452 1.00 0.20 C ATOM 1370 O SER B 17 3.257 9.510 -7.881 1.00 0.24 O ATOM 1371 CB SER B 17 3.275 6.255 -8.477 1.00 0.21 C ATOM 1372 OG SER B 17 4.118 5.115 -8.420 1.00 0.90 O ATOM 0 H SER B 17 2.820 5.613 -6.133 1.00 0.19 H new ATOM 0 HA SER B 17 4.604 7.451 -7.298 1.00 0.20 H new ATOM 0 HB2 SER B 17 2.231 5.941 -8.464 1.00 0.21 H new ATOM 0 HB3 SER B 17 3.437 6.785 -9.416 1.00 0.21 H new ATOM 0 HG SER B 17 3.701 4.427 -7.860 1.00 0.90 H new ATOM 1378 N SER B 18 1.462 8.423 -7.078 1.00 0.24 N ATOM 1379 CA SER B 18 0.598 9.592 -7.119 1.00 0.25 C ATOM 1380 C SER B 18 1.054 10.626 -6.086 1.00 0.25 C ATOM 1381 O SER B 18 1.106 11.825 -6.371 1.00 0.29 O ATOM 1382 CB SER B 18 -0.858 9.179 -6.861 1.00 0.26 C ATOM 1383 OG SER B 18 -1.746 10.272 -7.021 1.00 0.84 O ATOM 0 H SER B 18 1.006 7.574 -6.742 1.00 0.24 H new ATOM 0 HA SER B 18 0.662 10.044 -8.109 1.00 0.25 H new ATOM 0 HB2 SER B 18 -1.137 8.379 -7.547 1.00 0.26 H new ATOM 0 HB3 SER B 18 -0.950 8.779 -5.851 1.00 0.26 H new ATOM 0 HG SER B 18 -1.885 10.443 -7.976 1.00 0.84 H new ATOM 1389 N ILE B 19 1.409 10.148 -4.895 1.00 0.23 N ATOM 1390 CA ILE B 19 1.849 11.021 -3.809 1.00 0.24 C ATOM 1391 C ILE B 19 3.103 11.801 -4.194 1.00 0.25 C ATOM 1392 O ILE B 19 3.167 13.016 -4.001 1.00 0.28 O ATOM 1393 CB ILE B 19 2.118 10.217 -2.512 1.00 0.24 C ATOM 1394 CG1 ILE B 19 0.816 9.608 -1.982 1.00 0.25 C ATOM 1395 CG2 ILE B 19 2.770 11.091 -1.442 1.00 0.27 C ATOM 1396 CD1 ILE B 19 -0.250 10.633 -1.646 1.00 0.27 C ATOM 0 H ILE B 19 1.400 9.156 -4.657 1.00 0.23 H new ATOM 0 HA ILE B 19 1.039 11.727 -3.624 1.00 0.24 H new ATOM 0 HB ILE B 19 2.811 9.412 -2.755 1.00 0.24 H new ATOM 0 HG12 ILE B 19 0.420 8.917 -2.726 1.00 0.25 H new ATOM 0 HG13 ILE B 19 1.037 9.022 -1.090 1.00 0.25 H new ATOM 0 HG21 ILE B 19 2.946 10.498 -0.545 1.00 0.27 H new ATOM 0 HG22 ILE B 19 3.720 11.475 -1.815 1.00 0.27 H new ATOM 0 HG23 ILE B 19 2.111 11.925 -1.202 1.00 0.27 H new ATOM 0 HD11 ILE B 19 -1.141 10.124 -1.278 1.00 0.27 H new ATOM 0 HD12 ILE B 19 0.125 11.310 -0.878 1.00 0.27 H new ATOM 0 HD13 ILE B 19 -0.502 11.203 -2.540 1.00 0.27 H new ATOM 1408 N VAL B 20 4.094 11.111 -4.749 1.00 0.25 N ATOM 1409 CA VAL B 20 5.351 11.751 -5.106 1.00 0.28 C ATOM 1410 C VAL B 20 5.202 12.610 -6.363 1.00 0.33 C ATOM 1411 O VAL B 20 5.866 13.635 -6.497 1.00 0.34 O ATOM 1412 CB VAL B 20 6.492 10.723 -5.295 1.00 0.28 C ATOM 1413 CG1 VAL B 20 6.723 9.942 -4.011 1.00 0.26 C ATOM 1414 CG2 VAL B 20 6.206 9.778 -6.453 1.00 0.30 C ATOM 0 H VAL B 20 4.050 10.114 -4.960 1.00 0.25 H new ATOM 0 HA VAL B 20 5.619 12.399 -4.272 1.00 0.28 H new ATOM 0 HB VAL B 20 7.400 11.275 -5.536 1.00 0.28 H new ATOM 0 HG11 VAL B 20 7.529 9.224 -4.162 1.00 0.26 H new ATOM 0 HG12 VAL B 20 6.996 10.630 -3.211 1.00 0.26 H new ATOM 0 HG13 VAL B 20 5.811 9.412 -3.739 1.00 0.26 H new ATOM 0 HG21 VAL B 20 7.028 9.070 -6.556 1.00 0.30 H new ATOM 0 HG22 VAL B 20 5.281 9.234 -6.259 1.00 0.30 H new ATOM 0 HG23 VAL B 20 6.103 10.352 -7.374 1.00 0.30 H new ATOM 1424 N GLU B 21 4.329 12.189 -7.277 1.00 0.39 N ATOM 1425 CA GLU B 21 4.041 12.963 -8.480 1.00 0.49 C ATOM 1426 C GLU B 21 3.453 14.328 -8.118 1.00 0.49 C ATOM 1427 O GLU B 21 3.842 15.354 -8.673 1.00 0.53 O ATOM 1428 CB GLU B 21 3.071 12.198 -9.381 1.00 0.60 C ATOM 1429 CG GLU B 21 2.891 12.818 -10.756 1.00 1.24 C ATOM 1430 CD GLU B 21 4.179 12.838 -11.553 1.00 1.84 C ATOM 1431 OE1 GLU B 21 4.514 11.807 -12.170 1.00 2.49 O ATOM 1432 OE2 GLU B 21 4.863 13.880 -11.564 1.00 2.40 O ATOM 0 H GLU B 21 3.809 11.314 -7.206 1.00 0.39 H new ATOM 0 HA GLU B 21 4.976 13.121 -9.017 1.00 0.49 H new ATOM 0 HB2 GLU B 21 3.429 11.175 -9.498 1.00 0.60 H new ATOM 0 HB3 GLU B 21 2.100 12.142 -8.888 1.00 0.60 H new ATOM 0 HG2 GLU B 21 2.134 12.260 -11.307 1.00 1.24 H new ATOM 0 HG3 GLU B 21 2.519 13.837 -10.646 1.00 1.24 H new ATOM 1439 N LYS B 22 2.520 14.331 -7.173 1.00 0.47 N ATOM 1440 CA LYS B 22 1.891 15.570 -6.726 1.00 0.50 C ATOM 1441 C LYS B 22 2.752 16.257 -5.671 1.00 0.43 C ATOM 1442 O LYS B 22 2.472 17.380 -5.248 1.00 0.44 O ATOM 1443 CB LYS B 22 0.504 15.291 -6.148 1.00 0.58 C ATOM 1444 CG LYS B 22 -0.432 14.564 -7.097 1.00 0.68 C ATOM 1445 CD LYS B 22 -1.774 14.291 -6.439 1.00 0.81 C ATOM 1446 CE LYS B 22 -2.622 13.348 -7.274 1.00 0.72 C ATOM 1447 NZ LYS B 22 -3.968 13.134 -6.682 1.00 1.41 N ATOM 0 H LYS B 22 2.182 13.492 -6.702 1.00 0.47 H new ATOM 0 HA LYS B 22 1.792 16.227 -7.590 1.00 0.50 H new ATOM 0 HB2 LYS B 22 0.614 14.699 -5.240 1.00 0.58 H new ATOM 0 HB3 LYS B 22 0.047 16.237 -5.858 1.00 0.58 H new ATOM 0 HG2 LYS B 22 -0.579 15.162 -7.996 1.00 0.68 H new ATOM 0 HG3 LYS B 22 0.021 13.623 -7.410 1.00 0.68 H new ATOM 0 HD2 LYS B 22 -1.615 13.860 -5.451 1.00 0.81 H new ATOM 0 HD3 LYS B 22 -2.307 15.231 -6.295 1.00 0.81 H new ATOM 0 HE2 LYS B 22 -2.729 13.753 -8.280 1.00 0.72 H new ATOM 0 HE3 LYS B 22 -2.111 12.390 -7.369 1.00 0.72 H new ATOM 0 HZ1 LYS B 22 -4.513 12.484 -7.284 1.00 1.41 H new ATOM 0 HZ2 LYS B 22 -3.868 12.724 -5.732 1.00 1.41 H new ATOM 0 HZ3 LYS B 22 -4.467 14.044 -6.615 1.00 1.41 H new ATOM 1461 N LYS B 23 3.810 15.552 -5.267 1.00 0.37 N ATOM 1462 CA LYS B 23 4.721 15.994 -4.213 1.00 0.32 C ATOM 1463 C LYS B 23 3.970 16.291 -2.922 1.00 0.36 C ATOM 1464 O LYS B 23 4.255 17.267 -2.233 1.00 0.41 O ATOM 1465 CB LYS B 23 5.539 17.213 -4.650 1.00 0.36 C ATOM 1466 CG LYS B 23 6.439 16.941 -5.845 1.00 0.42 C ATOM 1467 CD LYS B 23 7.561 17.963 -5.951 1.00 0.57 C ATOM 1468 CE LYS B 23 8.568 17.796 -4.823 1.00 1.21 C ATOM 1469 NZ LYS B 23 9.705 18.745 -4.938 1.00 1.79 N ATOM 0 H LYS B 23 4.060 14.648 -5.668 1.00 0.37 H new ATOM 0 HA LYS B 23 5.414 15.174 -4.024 1.00 0.32 H new ATOM 0 HB2 LYS B 23 4.859 18.028 -4.895 1.00 0.36 H new ATOM 0 HB3 LYS B 23 6.151 17.549 -3.813 1.00 0.36 H new ATOM 0 HG2 LYS B 23 6.865 15.941 -5.759 1.00 0.42 H new ATOM 0 HG3 LYS B 23 5.845 16.957 -6.759 1.00 0.42 H new ATOM 0 HD2 LYS B 23 8.066 17.854 -6.911 1.00 0.57 H new ATOM 0 HD3 LYS B 23 7.143 18.969 -5.923 1.00 0.57 H new ATOM 0 HE2 LYS B 23 8.067 17.946 -3.867 1.00 1.21 H new ATOM 0 HE3 LYS B 23 8.948 16.774 -4.827 1.00 1.21 H new ATOM 0 HZ1 LYS B 23 10.585 18.269 -4.652 1.00 1.79 H new ATOM 0 HZ2 LYS B 23 9.790 19.067 -5.923 1.00 1.79 H new ATOM 0 HZ3 LYS B 23 9.538 19.564 -4.319 1.00 1.79 H new ATOM 1483 N GLU B 24 3.027 15.416 -2.588 1.00 0.38 N ATOM 1484 CA GLU B 24 2.233 15.553 -1.372 1.00 0.46 C ATOM 1485 C GLU B 24 3.083 15.266 -0.138 1.00 0.40 C ATOM 1486 O GLU B 24 2.657 15.491 0.993 1.00 0.44 O ATOM 1487 CB GLU B 24 1.041 14.595 -1.414 1.00 0.57 C ATOM 1488 CG GLU B 24 0.023 14.923 -2.493 1.00 0.85 C ATOM 1489 CD GLU B 24 -0.741 16.198 -2.208 1.00 1.09 C ATOM 1490 OE1 GLU B 24 -0.276 17.284 -2.607 1.00 1.84 O ATOM 1491 OE2 GLU B 24 -1.819 16.116 -1.585 1.00 1.66 O ATOM 0 H GLU B 24 2.793 14.597 -3.149 1.00 0.38 H new ATOM 0 HA GLU B 24 1.869 16.579 -1.313 1.00 0.46 H new ATOM 0 HB2 GLU B 24 1.408 13.581 -1.571 1.00 0.57 H new ATOM 0 HB3 GLU B 24 0.544 14.607 -0.444 1.00 0.57 H new ATOM 0 HG2 GLU B 24 0.533 15.017 -3.452 1.00 0.85 H new ATOM 0 HG3 GLU B 24 -0.681 14.096 -2.586 1.00 0.85 H new ATOM 1498 N ILE B 25 4.286 14.767 -0.368 1.00 0.36 N ATOM 1499 CA ILE B 25 5.205 14.451 0.709 1.00 0.33 C ATOM 1500 C ILE B 25 6.528 15.187 0.479 1.00 0.33 C ATOM 1501 O ILE B 25 6.884 15.479 -0.665 1.00 0.34 O ATOM 1502 CB ILE B 25 5.440 12.924 0.806 1.00 0.29 C ATOM 1503 CG1 ILE B 25 6.240 12.580 2.066 1.00 0.29 C ATOM 1504 CG2 ILE B 25 6.148 12.411 -0.439 1.00 0.26 C ATOM 1505 CD1 ILE B 25 6.415 11.093 2.294 1.00 0.28 C ATOM 0 H ILE B 25 4.650 14.571 -1.300 1.00 0.36 H new ATOM 0 HA ILE B 25 4.770 14.779 1.653 1.00 0.33 H new ATOM 0 HB ILE B 25 4.470 12.431 0.874 1.00 0.29 H new ATOM 0 HG12 ILE B 25 7.223 13.046 1.999 1.00 0.29 H new ATOM 0 HG13 ILE B 25 5.740 13.014 2.932 1.00 0.29 H new ATOM 0 HG21 ILE B 25 6.304 11.336 -0.352 1.00 0.26 H new ATOM 0 HG22 ILE B 25 5.536 12.619 -1.317 1.00 0.26 H new ATOM 0 HG23 ILE B 25 7.111 12.910 -0.541 1.00 0.26 H new ATOM 0 HD11 ILE B 25 6.991 10.930 3.205 1.00 0.28 H new ATOM 0 HD12 ILE B 25 5.437 10.623 2.395 1.00 0.28 H new ATOM 0 HD13 ILE B 25 6.943 10.655 1.447 1.00 0.28 H new ATOM 1517 N SER B 26 7.220 15.523 1.564 1.00 0.35 N ATOM 1518 CA SER B 26 8.474 16.264 1.485 1.00 0.38 C ATOM 1519 C SER B 26 9.539 15.493 0.694 1.00 0.34 C ATOM 1520 O SER B 26 9.431 14.279 0.510 1.00 0.31 O ATOM 1521 CB SER B 26 8.983 16.585 2.893 1.00 0.46 C ATOM 1522 OG SER B 26 10.052 17.516 2.856 1.00 1.47 O ATOM 0 H SER B 26 6.930 15.292 2.514 1.00 0.35 H new ATOM 0 HA SER B 26 8.280 17.195 0.952 1.00 0.38 H new ATOM 0 HB2 SER B 26 8.168 16.988 3.493 1.00 0.46 H new ATOM 0 HB3 SER B 26 9.314 15.668 3.380 1.00 0.46 H new ATOM 0 HG SER B 26 10.355 17.703 3.769 1.00 1.47 H new ATOM 1528 N GLU B 27 10.567 16.218 0.253 1.00 0.40 N ATOM 1529 CA GLU B 27 11.594 15.691 -0.652 1.00 0.45 C ATOM 1530 C GLU B 27 12.161 14.355 -0.172 1.00 0.40 C ATOM 1531 O GLU B 27 12.154 13.366 -0.910 1.00 0.44 O ATOM 1532 CB GLU B 27 12.738 16.698 -0.789 1.00 0.69 C ATOM 1533 CG GLU B 27 12.285 18.123 -1.066 1.00 0.75 C ATOM 1534 CD GLU B 27 11.391 18.239 -2.280 1.00 1.21 C ATOM 1535 OE1 GLU B 27 11.878 18.041 -3.411 1.00 1.70 O ATOM 1536 OE2 GLU B 27 10.193 18.544 -2.116 1.00 1.87 O ATOM 0 H GLU B 27 10.713 17.193 0.514 1.00 0.40 H new ATOM 0 HA GLU B 27 11.114 15.527 -1.617 1.00 0.45 H new ATOM 0 HB2 GLU B 27 13.328 16.688 0.128 1.00 0.69 H new ATOM 0 HB3 GLU B 27 13.397 16.375 -1.595 1.00 0.69 H new ATOM 0 HG2 GLU B 27 11.754 18.504 -0.194 1.00 0.75 H new ATOM 0 HG3 GLU B 27 13.162 18.755 -1.207 1.00 0.75 H new ATOM 1543 N ASP B 28 12.647 14.334 1.066 1.00 0.38 N ATOM 1544 CA ASP B 28 13.271 13.139 1.631 1.00 0.39 C ATOM 1545 C ASP B 28 12.280 11.986 1.684 1.00 0.34 C ATOM 1546 O ASP B 28 12.608 10.850 1.336 1.00 0.38 O ATOM 1547 CB ASP B 28 13.811 13.426 3.034 1.00 0.46 C ATOM 1548 CG ASP B 28 14.480 12.216 3.661 1.00 1.00 C ATOM 1549 OD1 ASP B 28 15.640 11.917 3.299 1.00 1.64 O ATOM 1550 OD2 ASP B 28 13.852 11.556 4.519 1.00 1.84 O ATOM 0 H ASP B 28 12.621 15.133 1.700 1.00 0.38 H new ATOM 0 HA ASP B 28 14.101 12.856 0.984 1.00 0.39 H new ATOM 0 HB2 ASP B 28 14.527 14.246 2.983 1.00 0.46 H new ATOM 0 HB3 ASP B 28 12.993 13.756 3.674 1.00 0.46 H new ATOM 1555 N GLY B 29 11.063 12.292 2.113 1.00 0.30 N ATOM 1556 CA GLY B 29 10.021 11.291 2.174 1.00 0.30 C ATOM 1557 C GLY B 29 9.693 10.727 0.809 1.00 0.26 C ATOM 1558 O GLY B 29 9.545 9.516 0.653 1.00 0.24 O ATOM 0 H GLY B 29 10.779 13.222 2.421 1.00 0.30 H new ATOM 0 HA2 GLY B 29 10.334 10.482 2.834 1.00 0.30 H new ATOM 0 HA3 GLY B 29 9.123 11.729 2.610 1.00 0.30 H new ATOM 1562 N ALA B 30 9.584 11.608 -0.183 1.00 0.24 N ATOM 1563 CA ALA B 30 9.303 11.203 -1.553 1.00 0.23 C ATOM 1564 C ALA B 30 10.330 10.197 -2.053 1.00 0.22 C ATOM 1565 O ALA B 30 9.973 9.157 -2.609 1.00 0.21 O ATOM 1566 CB ALA B 30 9.271 12.420 -2.468 1.00 0.24 C ATOM 0 H ALA B 30 9.688 12.615 -0.059 1.00 0.24 H new ATOM 0 HA ALA B 30 8.325 10.722 -1.566 1.00 0.23 H new ATOM 0 HB1 ALA B 30 9.060 12.102 -3.489 1.00 0.24 H new ATOM 0 HB2 ALA B 30 8.493 13.106 -2.133 1.00 0.24 H new ATOM 0 HB3 ALA B 30 10.237 12.924 -2.437 1.00 0.24 H new ATOM 1572 N ASP B 31 11.605 10.501 -1.848 1.00 0.24 N ATOM 1573 CA ASP B 31 12.674 9.613 -2.291 1.00 0.25 C ATOM 1574 C ASP B 31 12.605 8.281 -1.554 1.00 0.24 C ATOM 1575 O ASP B 31 12.818 7.220 -2.144 1.00 0.23 O ATOM 1576 CB ASP B 31 14.043 10.254 -2.079 1.00 0.31 C ATOM 1577 CG ASP B 31 15.156 9.421 -2.682 1.00 0.77 C ATOM 1578 OD1 ASP B 31 15.324 9.460 -3.920 1.00 1.47 O ATOM 1579 OD2 ASP B 31 15.862 8.721 -1.922 1.00 1.34 O ATOM 0 H ASP B 31 11.924 11.350 -1.381 1.00 0.24 H new ATOM 0 HA ASP B 31 12.537 9.435 -3.358 1.00 0.25 H new ATOM 0 HB2 ASP B 31 14.051 11.249 -2.525 1.00 0.31 H new ATOM 0 HB3 ASP B 31 14.223 10.382 -1.012 1.00 0.31 H new ATOM 1584 N SER B 32 12.279 8.344 -0.269 1.00 0.24 N ATOM 1585 CA SER B 32 12.156 7.147 0.548 1.00 0.24 C ATOM 1586 C SER B 32 10.992 6.282 0.055 1.00 0.20 C ATOM 1587 O SER B 32 11.026 5.057 0.156 1.00 0.23 O ATOM 1588 CB SER B 32 11.967 7.532 2.020 1.00 0.26 C ATOM 1589 OG SER B 32 12.202 6.428 2.880 1.00 0.92 O ATOM 0 H SER B 32 12.095 9.215 0.229 1.00 0.24 H new ATOM 0 HA SER B 32 13.072 6.563 0.460 1.00 0.24 H new ATOM 0 HB2 SER B 32 12.647 8.345 2.275 1.00 0.26 H new ATOM 0 HB3 SER B 32 10.954 7.905 2.173 1.00 0.26 H new ATOM 0 HG SER B 32 11.345 6.047 3.165 1.00 0.92 H new ATOM 1595 N LEU B 33 9.963 6.926 -0.492 1.00 0.17 N ATOM 1596 CA LEU B 33 8.843 6.205 -1.086 1.00 0.15 C ATOM 1597 C LEU B 33 9.245 5.608 -2.428 1.00 0.14 C ATOM 1598 O LEU B 33 8.820 4.509 -2.782 1.00 0.13 O ATOM 1599 CB LEU B 33 7.638 7.127 -1.276 1.00 0.16 C ATOM 1600 CG LEU B 33 7.023 7.681 0.009 1.00 0.18 C ATOM 1601 CD1 LEU B 33 5.870 8.614 -0.321 1.00 0.21 C ATOM 1602 CD2 LEU B 33 6.557 6.547 0.914 1.00 0.19 C ATOM 0 H LEU B 33 9.883 7.942 -0.535 1.00 0.17 H new ATOM 0 HA LEU B 33 8.565 5.401 -0.404 1.00 0.15 H new ATOM 0 HB2 LEU B 33 7.940 7.965 -1.904 1.00 0.16 H new ATOM 0 HB3 LEU B 33 6.868 6.581 -1.821 1.00 0.16 H new ATOM 0 HG LEU B 33 7.785 8.248 0.543 1.00 0.18 H new ATOM 0 HD11 LEU B 33 5.440 9.002 0.602 1.00 0.21 H new ATOM 0 HD12 LEU B 33 6.235 9.443 -0.928 1.00 0.21 H new ATOM 0 HD13 LEU B 33 5.107 8.067 -0.875 1.00 0.21 H new ATOM 0 HD21 LEU B 33 6.122 6.962 1.823 1.00 0.19 H new ATOM 0 HD22 LEU B 33 5.808 5.950 0.393 1.00 0.19 H new ATOM 0 HD23 LEU B 33 7.407 5.916 1.174 1.00 0.19 H new ATOM 1614 N ASN B 34 10.069 6.341 -3.167 1.00 0.15 N ATOM 1615 CA ASN B 34 10.558 5.879 -4.461 1.00 0.16 C ATOM 1616 C ASN B 34 11.316 4.569 -4.320 1.00 0.16 C ATOM 1617 O ASN B 34 11.026 3.600 -5.024 1.00 0.17 O ATOM 1618 CB ASN B 34 11.454 6.931 -5.118 1.00 0.18 C ATOM 1619 CG ASN B 34 10.676 7.926 -5.958 1.00 0.18 C ATOM 1620 OD1 ASN B 34 10.469 7.715 -7.154 1.00 0.18 O ATOM 1621 ND2 ASN B 34 10.237 9.013 -5.345 1.00 0.21 N ATOM 0 H ASN B 34 10.414 7.261 -2.891 1.00 0.15 H new ATOM 0 HA ASN B 34 9.690 5.714 -5.099 1.00 0.16 H new ATOM 0 HB2 ASN B 34 12.004 7.467 -4.344 1.00 0.18 H new ATOM 0 HB3 ASN B 34 12.192 6.432 -5.746 1.00 0.18 H new ATOM 0 HD21 ASN B 34 9.707 9.712 -5.864 1.00 0.21 H new ATOM 0 HD22 ASN B 34 10.429 9.152 -4.353 1.00 0.21 H new ATOM 1628 N VAL B 35 12.264 4.529 -3.392 1.00 0.18 N ATOM 1629 CA VAL B 35 13.054 3.326 -3.176 1.00 0.20 C ATOM 1630 C VAL B 35 12.188 2.213 -2.590 1.00 0.18 C ATOM 1631 O VAL B 35 12.402 1.035 -2.872 1.00 0.21 O ATOM 1632 CB VAL B 35 14.273 3.590 -2.259 1.00 0.23 C ATOM 1633 CG1 VAL B 35 15.183 4.643 -2.869 1.00 0.26 C ATOM 1634 CG2 VAL B 35 13.842 4.009 -0.861 1.00 0.23 C ATOM 0 H VAL B 35 12.503 5.310 -2.781 1.00 0.18 H new ATOM 0 HA VAL B 35 13.433 3.011 -4.148 1.00 0.20 H new ATOM 0 HB VAL B 35 14.826 2.655 -2.171 1.00 0.23 H new ATOM 0 HG11 VAL B 35 16.034 4.815 -2.210 1.00 0.26 H new ATOM 0 HG12 VAL B 35 15.540 4.298 -3.839 1.00 0.26 H new ATOM 0 HG13 VAL B 35 14.629 5.573 -2.996 1.00 0.26 H new ATOM 0 HG21 VAL B 35 14.724 4.186 -0.246 1.00 0.23 H new ATOM 0 HG22 VAL B 35 13.252 4.924 -0.921 1.00 0.23 H new ATOM 0 HG23 VAL B 35 13.240 3.218 -0.413 1.00 0.23 H new ATOM 1644 N ALA B 36 11.192 2.599 -1.796 1.00 0.17 N ATOM 1645 CA ALA B 36 10.259 1.643 -1.216 1.00 0.17 C ATOM 1646 C ALA B 36 9.468 0.938 -2.309 1.00 0.15 C ATOM 1647 O ALA B 36 9.357 -0.288 -2.315 1.00 0.16 O ATOM 1648 CB ALA B 36 9.316 2.339 -0.244 1.00 0.18 C ATOM 0 H ALA B 36 11.012 3.570 -1.541 1.00 0.17 H new ATOM 0 HA ALA B 36 10.832 0.896 -0.667 1.00 0.17 H new ATOM 0 HB1 ALA B 36 8.626 1.609 0.179 1.00 0.18 H new ATOM 0 HB2 ALA B 36 9.894 2.799 0.557 1.00 0.18 H new ATOM 0 HB3 ALA B 36 8.752 3.108 -0.772 1.00 0.18 H new ATOM 1654 N MET B 37 8.928 1.721 -3.241 1.00 0.14 N ATOM 1655 CA MET B 37 8.154 1.178 -4.352 1.00 0.15 C ATOM 1656 C MET B 37 8.954 0.172 -5.161 1.00 0.15 C ATOM 1657 O MET B 37 8.439 -0.886 -5.523 1.00 0.18 O ATOM 1658 CB MET B 37 7.670 2.294 -5.276 1.00 0.16 C ATOM 1659 CG MET B 37 6.529 3.114 -4.703 1.00 0.16 C ATOM 1660 SD MET B 37 5.906 4.345 -5.864 1.00 0.21 S ATOM 1661 CE MET B 37 7.332 5.414 -6.044 1.00 0.19 C ATOM 0 H MET B 37 9.014 2.737 -3.247 1.00 0.14 H new ATOM 0 HA MET B 37 7.295 0.667 -3.916 1.00 0.15 H new ATOM 0 HB2 MET B 37 8.506 2.957 -5.497 1.00 0.16 H new ATOM 0 HB3 MET B 37 7.351 1.857 -6.222 1.00 0.16 H new ATOM 0 HG2 MET B 37 5.716 2.447 -4.416 1.00 0.16 H new ATOM 0 HG3 MET B 37 6.867 3.614 -3.795 1.00 0.16 H new ATOM 0 HE1 MET B 37 7.068 6.271 -6.664 1.00 0.19 H new ATOM 0 HE2 MET B 37 7.653 5.761 -5.062 1.00 0.19 H new ATOM 0 HE3 MET B 37 8.144 4.861 -6.516 1.00 0.19 H new ATOM 1671 N ASP B 38 10.211 0.494 -5.444 1.00 0.18 N ATOM 1672 CA ASP B 38 11.044 -0.386 -6.256 1.00 0.23 C ATOM 1673 C ASP B 38 11.342 -1.683 -5.510 1.00 0.19 C ATOM 1674 O ASP B 38 11.501 -2.734 -6.122 1.00 0.23 O ATOM 1675 CB ASP B 38 12.348 0.301 -6.666 1.00 0.34 C ATOM 1676 CG ASP B 38 13.108 -0.492 -7.713 1.00 0.90 C ATOM 1677 OD1 ASP B 38 12.618 -0.603 -8.859 1.00 1.68 O ATOM 1678 OD2 ASP B 38 14.196 -1.016 -7.399 1.00 1.42 O ATOM 0 H ASP B 38 10.672 1.347 -5.128 1.00 0.18 H new ATOM 0 HA ASP B 38 10.488 -0.622 -7.163 1.00 0.23 H new ATOM 0 HB2 ASP B 38 12.127 1.295 -7.055 1.00 0.34 H new ATOM 0 HB3 ASP B 38 12.978 0.436 -5.787 1.00 0.34 H new ATOM 1683 N CYS B 39 11.385 -1.608 -4.185 1.00 0.18 N ATOM 1684 CA CYS B 39 11.570 -2.800 -3.363 1.00 0.18 C ATOM 1685 C CYS B 39 10.315 -3.669 -3.415 1.00 0.16 C ATOM 1686 O CYS B 39 10.391 -4.899 -3.473 1.00 0.19 O ATOM 1687 CB CYS B 39 11.895 -2.416 -1.918 1.00 0.21 C ATOM 1688 SG CYS B 39 13.423 -1.468 -1.736 1.00 0.27 S ATOM 0 H CYS B 39 11.295 -0.739 -3.658 1.00 0.18 H new ATOM 0 HA CYS B 39 12.411 -3.369 -3.760 1.00 0.18 H new ATOM 0 HB2 CYS B 39 11.068 -1.834 -1.513 1.00 0.21 H new ATOM 0 HB3 CYS B 39 11.969 -3.324 -1.319 1.00 0.21 H new ATOM 0 HG CYS B 39 13.197 -0.221 -2.027 1.00 0.27 H new ATOM 1694 N ILE B 40 9.159 -3.016 -3.419 1.00 0.14 N ATOM 1695 CA ILE B 40 7.888 -3.711 -3.580 1.00 0.14 C ATOM 1696 C ILE B 40 7.842 -4.369 -4.956 1.00 0.16 C ATOM 1697 O ILE B 40 7.393 -5.507 -5.110 1.00 0.16 O ATOM 1698 CB ILE B 40 6.696 -2.736 -3.430 1.00 0.13 C ATOM 1699 CG1 ILE B 40 6.731 -2.063 -2.053 1.00 0.14 C ATOM 1700 CG2 ILE B 40 5.373 -3.464 -3.634 1.00 0.16 C ATOM 1701 CD1 ILE B 40 5.682 -0.985 -1.870 1.00 0.16 C ATOM 0 H ILE B 40 9.076 -2.005 -3.312 1.00 0.14 H new ATOM 0 HA ILE B 40 7.808 -4.469 -2.801 1.00 0.14 H new ATOM 0 HB ILE B 40 6.782 -1.967 -4.197 1.00 0.13 H new ATOM 0 HG12 ILE B 40 6.594 -2.823 -1.284 1.00 0.14 H new ATOM 0 HG13 ILE B 40 7.718 -1.626 -1.898 1.00 0.14 H new ATOM 0 HG21 ILE B 40 4.549 -2.759 -3.524 1.00 0.16 H new ATOM 0 HG22 ILE B 40 5.347 -3.899 -4.633 1.00 0.16 H new ATOM 0 HG23 ILE B 40 5.275 -4.256 -2.891 1.00 0.16 H new ATOM 0 HD11 ILE B 40 5.771 -0.557 -0.872 1.00 0.16 H new ATOM 0 HD12 ILE B 40 5.830 -0.203 -2.615 1.00 0.16 H new ATOM 0 HD13 ILE B 40 4.689 -1.419 -1.992 1.00 0.16 H new ATOM 1713 N SER B 41 8.348 -3.648 -5.947 1.00 0.21 N ATOM 1714 CA SER B 41 8.419 -4.151 -7.308 1.00 0.28 C ATOM 1715 C SER B 41 9.355 -5.352 -7.378 1.00 0.30 C ATOM 1716 O SER B 41 9.055 -6.344 -8.030 1.00 0.34 O ATOM 1717 CB SER B 41 8.915 -3.050 -8.241 1.00 0.37 C ATOM 1718 OG SER B 41 8.185 -1.851 -8.043 1.00 1.13 O ATOM 0 H SER B 41 8.718 -2.705 -5.830 1.00 0.21 H new ATOM 0 HA SER B 41 7.423 -4.464 -7.621 1.00 0.28 H new ATOM 0 HB2 SER B 41 9.975 -2.868 -8.064 1.00 0.37 H new ATOM 0 HB3 SER B 41 8.816 -3.374 -9.277 1.00 0.37 H new ATOM 0 HG SER B 41 8.394 -1.483 -7.159 1.00 1.13 H new ATOM 1724 N GLU B 42 10.478 -5.254 -6.679 1.00 0.32 N ATOM 1725 CA GLU B 42 11.471 -6.322 -6.643 1.00 0.38 C ATOM 1726 C GLU B 42 10.904 -7.575 -5.971 1.00 0.32 C ATOM 1727 O GLU B 42 11.387 -8.688 -6.186 1.00 0.44 O ATOM 1728 CB GLU B 42 12.716 -5.840 -5.893 1.00 0.46 C ATOM 1729 CG GLU B 42 13.959 -6.668 -6.167 1.00 0.60 C ATOM 1730 CD GLU B 42 14.374 -6.610 -7.620 1.00 1.45 C ATOM 1731 OE1 GLU B 42 14.886 -5.557 -8.054 1.00 2.00 O ATOM 1732 OE2 GLU B 42 14.191 -7.614 -8.336 1.00 2.23 O ATOM 0 H GLU B 42 10.727 -4.436 -6.123 1.00 0.32 H new ATOM 0 HA GLU B 42 11.741 -6.581 -7.667 1.00 0.38 H new ATOM 0 HB2 GLU B 42 12.914 -4.804 -6.167 1.00 0.46 H new ATOM 0 HB3 GLU B 42 12.511 -5.854 -4.823 1.00 0.46 H new ATOM 0 HG2 GLU B 42 14.777 -6.310 -5.542 1.00 0.60 H new ATOM 0 HG3 GLU B 42 13.773 -7.704 -5.885 1.00 0.60 H new ATOM 1739 N ALA B 43 9.875 -7.384 -5.156 1.00 0.19 N ATOM 1740 CA ALA B 43 9.246 -8.490 -4.453 1.00 0.17 C ATOM 1741 C ALA B 43 8.274 -9.254 -5.351 1.00 0.17 C ATOM 1742 O ALA B 43 8.236 -10.484 -5.329 1.00 0.25 O ATOM 1743 CB ALA B 43 8.528 -7.984 -3.212 1.00 0.20 C ATOM 0 H ALA B 43 9.459 -6.472 -4.966 1.00 0.19 H new ATOM 0 HA ALA B 43 10.034 -9.182 -4.156 1.00 0.17 H new ATOM 0 HB1 ALA B 43 8.061 -8.822 -2.695 1.00 0.20 H new ATOM 0 HB2 ALA B 43 9.245 -7.502 -2.548 1.00 0.20 H new ATOM 0 HB3 ALA B 43 7.762 -7.265 -3.503 1.00 0.20 H new ATOM 1749 N PHE B 44 7.492 -8.531 -6.148 1.00 0.19 N ATOM 1750 CA PHE B 44 6.438 -9.166 -6.938 1.00 0.25 C ATOM 1751 C PHE B 44 6.778 -9.240 -8.427 1.00 0.30 C ATOM 1752 O PHE B 44 6.112 -9.939 -9.189 1.00 0.35 O ATOM 1753 CB PHE B 44 5.108 -8.437 -6.742 1.00 0.27 C ATOM 1754 CG PHE B 44 4.623 -8.451 -5.322 1.00 0.26 C ATOM 1755 CD1 PHE B 44 4.089 -9.602 -4.776 1.00 1.10 C ATOM 1756 CD2 PHE B 44 4.704 -7.315 -4.533 1.00 1.15 C ATOM 1757 CE1 PHE B 44 3.642 -9.624 -3.472 1.00 1.12 C ATOM 1758 CE2 PHE B 44 4.258 -7.331 -3.226 1.00 1.15 C ATOM 1759 CZ PHE B 44 3.726 -8.489 -2.695 1.00 0.31 C ATOM 0 H PHE B 44 7.565 -7.520 -6.264 1.00 0.19 H new ATOM 0 HA PHE B 44 6.351 -10.190 -6.575 1.00 0.25 H new ATOM 0 HB2 PHE B 44 5.217 -7.403 -7.070 1.00 0.27 H new ATOM 0 HB3 PHE B 44 4.353 -8.896 -7.380 1.00 0.27 H new ATOM 0 HD1 PHE B 44 4.021 -10.496 -5.378 1.00 1.10 H new ATOM 0 HD2 PHE B 44 5.120 -6.407 -4.944 1.00 1.15 H new ATOM 0 HE1 PHE B 44 3.226 -10.531 -3.059 1.00 1.12 H new ATOM 0 HE2 PHE B 44 4.325 -6.439 -2.620 1.00 1.15 H new ATOM 0 HZ PHE B 44 3.377 -8.505 -1.673 1.00 0.31 H new ATOM 1769 N GLY B 45 7.812 -8.517 -8.832 1.00 0.29 N ATOM 1770 CA GLY B 45 8.245 -8.532 -10.217 1.00 0.35 C ATOM 1771 C GLY B 45 7.295 -7.791 -11.139 1.00 0.37 C ATOM 1772 O GLY B 45 6.796 -8.365 -12.107 1.00 0.43 O ATOM 0 H GLY B 45 8.364 -7.915 -8.221 1.00 0.29 H new ATOM 0 HA2 GLY B 45 9.236 -8.084 -10.288 1.00 0.35 H new ATOM 0 HA3 GLY B 45 8.338 -9.565 -10.553 1.00 0.35 H new ATOM 1776 N PHE B 46 7.045 -6.521 -10.848 1.00 0.36 N ATOM 1777 CA PHE B 46 6.128 -5.723 -11.654 1.00 0.39 C ATOM 1778 C PHE B 46 6.578 -4.265 -11.687 1.00 0.39 C ATOM 1779 O PHE B 46 7.398 -3.844 -10.872 1.00 0.40 O ATOM 1780 CB PHE B 46 4.696 -5.829 -11.109 1.00 0.36 C ATOM 1781 CG PHE B 46 4.461 -5.089 -9.819 1.00 0.30 C ATOM 1782 CD1 PHE B 46 5.084 -5.484 -8.647 1.00 1.27 C ATOM 1783 CD2 PHE B 46 3.606 -3.999 -9.783 1.00 1.17 C ATOM 1784 CE1 PHE B 46 4.860 -4.806 -7.465 1.00 1.26 C ATOM 1785 CE2 PHE B 46 3.379 -3.318 -8.604 1.00 1.17 C ATOM 1786 CZ PHE B 46 4.007 -3.721 -7.443 1.00 0.21 C ATOM 0 H PHE B 46 7.462 -6.022 -10.063 1.00 0.36 H new ATOM 0 HA PHE B 46 6.138 -6.113 -12.672 1.00 0.39 H new ATOM 0 HB2 PHE B 46 4.005 -5.449 -11.862 1.00 0.36 H new ATOM 0 HB3 PHE B 46 4.455 -6.881 -10.958 1.00 0.36 H new ATOM 0 HD1 PHE B 46 5.753 -6.332 -8.658 1.00 1.27 H new ATOM 0 HD2 PHE B 46 3.111 -3.679 -10.688 1.00 1.17 H new ATOM 0 HE1 PHE B 46 5.352 -5.125 -6.558 1.00 1.26 H new ATOM 0 HE2 PHE B 46 2.710 -2.470 -8.590 1.00 1.17 H new ATOM 0 HZ PHE B 46 3.832 -3.189 -6.520 1.00 0.21 H new ATOM 1796 N GLU B 47 6.033 -3.503 -12.627 1.00 0.41 N ATOM 1797 CA GLU B 47 6.374 -2.093 -12.779 1.00 0.44 C ATOM 1798 C GLU B 47 5.280 -1.224 -12.172 1.00 0.40 C ATOM 1799 O GLU B 47 4.130 -1.648 -12.061 1.00 0.39 O ATOM 1800 CB GLU B 47 6.529 -1.743 -14.258 1.00 0.53 C ATOM 1801 CG GLU B 47 7.657 -2.482 -14.953 1.00 0.59 C ATOM 1802 CD GLU B 47 7.758 -2.122 -16.420 1.00 1.14 C ATOM 1803 OE1 GLU B 47 8.448 -1.138 -16.754 1.00 1.55 O ATOM 1804 OE2 GLU B 47 7.130 -2.817 -17.249 1.00 1.92 O ATOM 0 H GLU B 47 5.347 -3.841 -13.302 1.00 0.41 H new ATOM 0 HA GLU B 47 7.316 -1.908 -12.263 1.00 0.44 H new ATOM 0 HB2 GLU B 47 5.594 -1.963 -14.773 1.00 0.53 H new ATOM 0 HB3 GLU B 47 6.700 -0.670 -14.351 1.00 0.53 H new ATOM 0 HG2 GLU B 47 8.600 -2.250 -14.458 1.00 0.59 H new ATOM 0 HG3 GLU B 47 7.501 -3.556 -14.854 1.00 0.59 H new ATOM 1811 N ARG B 48 5.630 0.011 -11.823 1.00 0.41 N ATOM 1812 CA ARG B 48 4.700 0.920 -11.164 1.00 0.40 C ATOM 1813 C ARG B 48 3.759 1.546 -12.182 1.00 0.41 C ATOM 1814 O ARG B 48 2.771 2.180 -11.825 1.00 0.43 O ATOM 1815 CB ARG B 48 5.446 2.027 -10.407 1.00 0.44 C ATOM 1816 CG ARG B 48 6.114 1.569 -9.118 1.00 0.61 C ATOM 1817 CD ARG B 48 7.325 0.689 -9.375 1.00 0.91 C ATOM 1818 NE ARG B 48 8.429 1.425 -9.989 1.00 1.19 N ATOM 1819 CZ ARG B 48 9.694 1.005 -9.982 1.00 1.88 C ATOM 1820 NH1 ARG B 48 10.007 -0.156 -9.422 1.00 2.57 N ATOM 1821 NH2 ARG B 48 10.644 1.740 -10.543 1.00 2.20 N ATOM 0 H ARG B 48 6.556 0.406 -11.987 1.00 0.41 H new ATOM 0 HA ARG B 48 4.122 0.338 -10.446 1.00 0.40 H new ATOM 0 HB2 ARG B 48 6.205 2.451 -11.064 1.00 0.44 H new ATOM 0 HB3 ARG B 48 4.744 2.827 -10.173 1.00 0.44 H new ATOM 0 HG2 ARG B 48 6.418 2.441 -8.540 1.00 0.61 H new ATOM 0 HG3 ARG B 48 5.392 1.021 -8.512 1.00 0.61 H new ATOM 0 HD2 ARG B 48 7.661 0.254 -8.434 1.00 0.91 H new ATOM 0 HD3 ARG B 48 7.038 -0.138 -10.024 1.00 0.91 H new ATOM 0 HE ARG B 48 8.219 2.311 -10.449 1.00 1.19 H new ATOM 0 HH11 ARG B 48 9.279 -0.729 -8.996 1.00 2.57 H new ATOM 0 HH12 ARG B 48 10.976 -0.475 -9.418 1.00 2.57 H new ATOM 0 HH21 ARG B 48 10.408 2.630 -10.982 1.00 2.20 H new ATOM 0 HH22 ARG B 48 11.611 1.416 -10.536 1.00 2.20 H new ATOM 1835 N GLU B 49 4.093 1.387 -13.454 1.00 0.42 N ATOM 1836 CA GLU B 49 3.272 1.921 -14.529 1.00 0.46 C ATOM 1837 C GLU B 49 2.276 0.874 -15.010 1.00 0.43 C ATOM 1838 O GLU B 49 1.250 1.199 -15.605 1.00 0.46 O ATOM 1839 CB GLU B 49 4.156 2.372 -15.689 1.00 0.57 C ATOM 1840 CG GLU B 49 5.203 3.397 -15.290 1.00 1.14 C ATOM 1841 CD GLU B 49 6.064 3.821 -16.457 1.00 1.54 C ATOM 1842 OE1 GLU B 49 6.986 3.064 -16.823 1.00 2.24 O ATOM 1843 OE2 GLU B 49 5.820 4.908 -17.017 1.00 2.04 O ATOM 0 H GLU B 49 4.928 0.892 -13.767 1.00 0.42 H new ATOM 0 HA GLU B 49 2.718 2.779 -14.149 1.00 0.46 H new ATOM 0 HB2 GLU B 49 4.655 1.502 -16.115 1.00 0.57 H new ATOM 0 HB3 GLU B 49 3.526 2.794 -16.473 1.00 0.57 H new ATOM 0 HG2 GLU B 49 4.709 4.273 -14.869 1.00 1.14 H new ATOM 0 HG3 GLU B 49 5.836 2.980 -14.507 1.00 1.14 H new ATOM 1850 N ALA B 50 2.574 -0.388 -14.724 1.00 0.41 N ATOM 1851 CA ALA B 50 1.729 -1.493 -15.161 1.00 0.42 C ATOM 1852 C ALA B 50 0.522 -1.651 -14.246 1.00 0.37 C ATOM 1853 O ALA B 50 -0.342 -2.496 -14.482 1.00 0.41 O ATOM 1854 CB ALA B 50 2.534 -2.783 -15.206 1.00 0.48 C ATOM 0 H ALA B 50 3.396 -0.672 -14.191 1.00 0.41 H new ATOM 0 HA ALA B 50 1.365 -1.270 -16.164 1.00 0.42 H new ATOM 0 HB1 ALA B 50 1.892 -3.601 -15.534 1.00 0.48 H new ATOM 0 HB2 ALA B 50 3.363 -2.670 -15.904 1.00 0.48 H new ATOM 0 HB3 ALA B 50 2.924 -3.003 -14.212 1.00 0.48 H new ATOM 1860 N VAL B 51 0.487 -0.834 -13.194 1.00 0.33 N ATOM 1861 CA VAL B 51 -0.600 -0.856 -12.220 1.00 0.31 C ATOM 1862 C VAL B 51 -1.979 -0.873 -12.876 1.00 0.36 C ATOM 1863 O VAL B 51 -2.811 -1.698 -12.521 1.00 0.41 O ATOM 1864 CB VAL B 51 -0.518 0.332 -11.232 1.00 0.29 C ATOM 1865 CG1 VAL B 51 0.672 0.169 -10.305 1.00 0.26 C ATOM 1866 CG2 VAL B 51 -0.438 1.664 -11.966 1.00 0.33 C ATOM 0 H VAL B 51 1.209 -0.141 -12.995 1.00 0.33 H new ATOM 0 HA VAL B 51 -0.473 -1.787 -11.667 1.00 0.31 H new ATOM 0 HB VAL B 51 -1.432 0.333 -10.638 1.00 0.29 H new ATOM 0 HG11 VAL B 51 0.715 1.013 -9.617 1.00 0.26 H new ATOM 0 HG12 VAL B 51 0.568 -0.756 -9.739 1.00 0.26 H new ATOM 0 HG13 VAL B 51 1.589 0.133 -10.893 1.00 0.26 H new ATOM 0 HG21 VAL B 51 -0.382 2.476 -11.241 1.00 0.33 H new ATOM 0 HG22 VAL B 51 0.450 1.679 -12.597 1.00 0.33 H new ATOM 0 HG23 VAL B 51 -1.326 1.792 -12.586 1.00 0.33 H new ATOM 1876 N SER B 52 -2.209 0.006 -13.847 1.00 0.37 N ATOM 1877 CA SER B 52 -3.523 0.131 -14.467 1.00 0.45 C ATOM 1878 C SER B 52 -3.948 -1.178 -15.135 1.00 0.47 C ATOM 1879 O SER B 52 -5.088 -1.620 -14.983 1.00 0.50 O ATOM 1880 CB SER B 52 -3.510 1.278 -15.478 1.00 0.53 C ATOM 1881 OG SER B 52 -2.386 1.187 -16.340 1.00 1.25 O ATOM 0 H SER B 52 -1.504 0.641 -14.221 1.00 0.37 H new ATOM 0 HA SER B 52 -4.254 0.352 -13.689 1.00 0.45 H new ATOM 0 HB2 SER B 52 -4.427 1.258 -16.067 1.00 0.53 H new ATOM 0 HB3 SER B 52 -3.491 2.232 -14.950 1.00 0.53 H new ATOM 0 HG SER B 52 -2.402 1.931 -16.978 1.00 1.25 H new ATOM 1887 N GLY B 53 -3.019 -1.788 -15.865 1.00 0.50 N ATOM 1888 CA GLY B 53 -3.281 -3.069 -16.498 1.00 0.57 C ATOM 1889 C GLY B 53 -3.709 -4.132 -15.506 1.00 0.54 C ATOM 1890 O GLY B 53 -4.636 -4.901 -15.772 1.00 0.59 O ATOM 0 H GLY B 53 -2.084 -1.416 -16.030 1.00 0.50 H new ATOM 0 HA2 GLY B 53 -4.059 -2.946 -17.251 1.00 0.57 H new ATOM 0 HA3 GLY B 53 -2.384 -3.403 -17.019 1.00 0.57 H new ATOM 1894 N ILE B 54 -3.041 -4.170 -14.362 1.00 0.50 N ATOM 1895 CA ILE B 54 -3.366 -5.129 -13.312 1.00 0.51 C ATOM 1896 C ILE B 54 -4.677 -4.750 -12.621 1.00 0.50 C ATOM 1897 O ILE B 54 -5.570 -5.579 -12.460 1.00 0.57 O ATOM 1898 CB ILE B 54 -2.240 -5.202 -12.257 1.00 0.49 C ATOM 1899 CG1 ILE B 54 -0.898 -5.506 -12.930 1.00 0.48 C ATOM 1900 CG2 ILE B 54 -2.560 -6.257 -11.206 1.00 0.55 C ATOM 1901 CD1 ILE B 54 0.284 -5.459 -11.984 1.00 0.48 C ATOM 0 H ILE B 54 -2.267 -3.546 -14.135 1.00 0.50 H new ATOM 0 HA ILE B 54 -3.474 -6.105 -13.784 1.00 0.51 H new ATOM 0 HB ILE B 54 -2.168 -4.234 -11.761 1.00 0.49 H new ATOM 0 HG12 ILE B 54 -0.947 -6.494 -13.387 1.00 0.48 H new ATOM 0 HG13 ILE B 54 -0.736 -4.790 -13.736 1.00 0.48 H new ATOM 0 HG21 ILE B 54 -1.756 -6.294 -10.471 1.00 0.55 H new ATOM 0 HG22 ILE B 54 -3.495 -6.002 -10.708 1.00 0.55 H new ATOM 0 HG23 ILE B 54 -2.658 -7.231 -11.686 1.00 0.55 H new ATOM 0 HD11 ILE B 54 1.198 -5.685 -12.533 1.00 0.48 H new ATOM 0 HD12 ILE B 54 0.360 -4.464 -11.546 1.00 0.48 H new ATOM 0 HD13 ILE B 54 0.145 -6.195 -11.192 1.00 0.48 H new ATOM 1913 N LEU B 55 -4.772 -3.486 -12.220 1.00 0.46 N ATOM 1914 CA LEU B 55 -5.948 -2.973 -11.517 1.00 0.48 C ATOM 1915 C LEU B 55 -7.231 -3.207 -12.307 1.00 0.55 C ATOM 1916 O LEU B 55 -8.233 -3.632 -11.745 1.00 0.65 O ATOM 1917 CB LEU B 55 -5.787 -1.482 -11.217 1.00 0.48 C ATOM 1918 CG LEU B 55 -4.598 -1.127 -10.324 1.00 0.46 C ATOM 1919 CD1 LEU B 55 -4.558 0.367 -10.050 1.00 0.51 C ATOM 1920 CD2 LEU B 55 -4.653 -1.914 -9.024 1.00 0.45 C ATOM 0 H LEU B 55 -4.042 -2.790 -12.371 1.00 0.46 H new ATOM 0 HA LEU B 55 -6.027 -3.523 -10.579 1.00 0.48 H new ATOM 0 HB2 LEU B 55 -5.686 -0.946 -12.161 1.00 0.48 H new ATOM 0 HB3 LEU B 55 -6.699 -1.122 -10.742 1.00 0.48 H new ATOM 0 HG LEU B 55 -3.682 -1.399 -10.849 1.00 0.46 H new ATOM 0 HD11 LEU B 55 -3.704 0.597 -9.413 1.00 0.51 H new ATOM 0 HD12 LEU B 55 -4.464 0.907 -10.992 1.00 0.51 H new ATOM 0 HD13 LEU B 55 -5.477 0.670 -9.548 1.00 0.51 H new ATOM 0 HD21 LEU B 55 -3.799 -1.648 -8.401 1.00 0.45 H new ATOM 0 HD22 LEU B 55 -5.576 -1.678 -8.494 1.00 0.45 H new ATOM 0 HD23 LEU B 55 -4.624 -2.981 -9.243 1.00 0.45 H new