USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 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 14 MET CE :methyl 174:sc= -0.363 (180deg=-0.452) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -25:sc= 0.136 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.97! C(o=-3!,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ 133:sc= -0.0343 (180deg=-0.72) USER MOD Single : A 33 THR OG1 : rot 161:sc= 0.113 USER MOD Single : A 35 GLN : amide:sc= -3.77 K(o=-3.8,f=-5.9!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -42:sc= 0.00331 USER MOD Single : A 61 THR OG1 : rot 72:sc= 0.544 USER MOD Single : A 63 ASN : amide:sc= -1.83! X(o=-1.8!,f=-2.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -5.54! C(o=-5.5!,f=-6.4!) USER MOD Single : A 67 LYS NZ :NH3+ -153:sc= -0.147 (180deg=-0.68) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 11 4.173 -11.545 -0.316 1.00 0.00 N ATOM 119 CA LEU A 11 3.491 -10.617 0.579 1.00 0.00 C ATOM 120 C LEU A 11 4.317 -10.369 1.837 1.00 0.00 C ATOM 121 O LEU A 11 4.491 -9.226 2.261 1.00 0.00 O ATOM 122 CB LEU A 11 2.114 -11.164 0.960 1.00 0.00 C ATOM 123 CG LEU A 11 1.021 -11.028 -0.101 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.206 -11.836 0.290 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.656 -9.565 -0.306 1.00 0.00 C ATOM 0 HA LEU A 11 3.367 -9.670 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.221 -12.220 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.780 -10.655 1.864 1.00 0.00 H new ATOM 0 HG LEU A 11 1.404 -11.421 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.973 -11.727 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.066 -12.887 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.592 -11.474 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.123 -9.487 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.292 -9.146 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.537 -9.013 -0.633 1.00 0.00 H new ATOM 137 N GLU A 12 4.826 -11.446 2.428 1.00 0.00 N ATOM 138 CA GLU A 12 5.636 -11.343 3.636 1.00 0.00 C ATOM 139 C GLU A 12 6.683 -10.242 3.497 1.00 0.00 C ATOM 140 O GLU A 12 6.736 -9.315 4.306 1.00 0.00 O ATOM 141 CB GLU A 12 6.320 -12.679 3.933 1.00 0.00 C ATOM 142 CG GLU A 12 5.350 -13.798 4.270 1.00 0.00 C ATOM 143 CD GLU A 12 4.872 -13.743 5.708 1.00 0.00 C ATOM 144 OE1 GLU A 12 4.220 -12.744 6.078 1.00 0.00 O ATOM 145 OE2 GLU A 12 5.150 -14.698 6.463 1.00 0.00 O ATOM 0 H GLU A 12 4.692 -12.399 2.090 1.00 0.00 H new ATOM 0 HA GLU A 12 4.976 -11.089 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.915 -12.973 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.012 -12.546 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.490 -13.741 3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.832 -14.759 4.088 1.00 0.00 H new ATOM 152 N ASP A 13 7.515 -10.351 2.467 1.00 0.00 N ATOM 153 CA ASP A 13 8.561 -9.365 2.221 1.00 0.00 C ATOM 154 C ASP A 13 7.961 -7.979 2.005 1.00 0.00 C ATOM 155 O ASP A 13 8.311 -7.026 2.701 1.00 0.00 O ATOM 156 CB ASP A 13 9.396 -9.769 1.005 1.00 0.00 C ATOM 157 CG ASP A 13 10.256 -8.632 0.490 1.00 0.00 C ATOM 158 OD1 ASP A 13 11.218 -8.251 1.191 1.00 0.00 O ATOM 159 OD2 ASP A 13 9.969 -8.123 -0.613 1.00 0.00 O ATOM 0 H ASP A 13 7.485 -11.112 1.789 1.00 0.00 H new ATOM 0 HA ASP A 13 9.206 -9.329 3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.034 -10.612 1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.733 -10.109 0.209 1.00 0.00 H new ATOM 164 N MET A 14 7.058 -7.875 1.036 1.00 0.00 N ATOM 165 CA MET A 14 6.410 -6.605 0.728 1.00 0.00 C ATOM 166 C MET A 14 6.002 -5.880 2.006 1.00 0.00 C ATOM 167 O MET A 14 6.467 -4.773 2.280 1.00 0.00 O ATOM 168 CB MET A 14 5.183 -6.835 -0.156 1.00 0.00 C ATOM 169 CG MET A 14 4.316 -5.598 -0.327 1.00 0.00 C ATOM 170 SD MET A 14 2.754 -5.953 -1.154 1.00 0.00 S ATOM 171 CE MET A 14 1.712 -6.350 0.248 1.00 0.00 C ATOM 0 H MET A 14 6.758 -8.654 0.450 1.00 0.00 H new ATOM 0 HA MET A 14 7.124 -5.982 0.190 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.512 -7.177 -1.138 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.580 -7.634 0.275 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.114 -5.163 0.652 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.865 -4.851 -0.901 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.685 -6.489 -0.090 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.067 -7.268 0.717 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.749 -5.535 0.971 1.00 0.00 H new ATOM 181 N LYS A 15 5.129 -6.510 2.786 1.00 0.00 N ATOM 182 CA LYS A 15 4.659 -5.925 4.036 1.00 0.00 C ATOM 183 C LYS A 15 5.772 -5.142 4.724 1.00 0.00 C ATOM 184 O LYS A 15 5.742 -3.912 4.772 1.00 0.00 O ATOM 185 CB LYS A 15 4.138 -7.020 4.970 1.00 0.00 C ATOM 186 CG LYS A 15 2.884 -7.709 4.461 1.00 0.00 C ATOM 187 CD LYS A 15 2.809 -9.151 4.933 1.00 0.00 C ATOM 188 CE LYS A 15 1.369 -9.611 5.094 1.00 0.00 C ATOM 189 NZ LYS A 15 1.269 -10.840 5.929 1.00 0.00 N ATOM 0 H LYS A 15 4.733 -7.426 2.574 1.00 0.00 H new ATOM 0 HA LYS A 15 3.847 -5.237 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.920 -7.766 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.931 -6.584 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.004 -7.166 4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.869 -7.681 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.320 -9.796 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.332 -9.251 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.782 -8.814 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.937 -9.803 4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.271 -11.121 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.808 -11.609 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.658 -10.650 6.875 1.00 0.00 H new ATOM 203 N LYS A 16 6.755 -5.862 5.254 1.00 0.00 N ATOM 204 CA LYS A 16 7.881 -5.235 5.937 1.00 0.00 C ATOM 205 C LYS A 16 8.325 -3.971 5.206 1.00 0.00 C ATOM 206 O LYS A 16 8.215 -2.865 5.736 1.00 0.00 O ATOM 207 CB LYS A 16 9.051 -6.215 6.040 1.00 0.00 C ATOM 208 CG LYS A 16 9.968 -5.945 7.221 1.00 0.00 C ATOM 209 CD LYS A 16 11.374 -6.462 6.965 1.00 0.00 C ATOM 210 CE LYS A 16 12.377 -5.848 7.928 1.00 0.00 C ATOM 211 NZ LYS A 16 13.564 -6.725 8.127 1.00 0.00 N ATOM 0 H LYS A 16 6.795 -6.881 5.224 1.00 0.00 H new ATOM 0 HA LYS A 16 7.557 -4.959 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.659 -7.229 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.634 -6.170 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.004 -4.873 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.562 -6.420 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.388 -7.547 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.666 -6.234 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.701 -4.880 7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.894 -5.667 8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.224 -6.271 8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.258 -7.640 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.040 -6.877 7.215 1.00 0.00 H new ATOM 225 N TYR A 17 8.825 -4.143 3.988 1.00 0.00 N ATOM 226 CA TYR A 17 9.287 -3.017 3.185 1.00 0.00 C ATOM 227 C TYR A 17 8.255 -1.892 3.180 1.00 0.00 C ATOM 228 O TYR A 17 8.482 -0.825 3.749 1.00 0.00 O ATOM 229 CB TYR A 17 9.572 -3.467 1.752 1.00 0.00 C ATOM 230 CG TYR A 17 9.758 -2.322 0.782 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.994 -1.703 0.637 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.698 -1.858 0.013 1.00 0.00 C ATOM 233 CE1 TYR A 17 11.168 -0.656 -0.247 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.864 -0.813 -0.874 1.00 0.00 C ATOM 235 CZ TYR A 17 10.101 -0.215 -1.001 1.00 0.00 C ATOM 236 OH TYR A 17 10.269 0.828 -1.883 1.00 0.00 O ATOM 0 H TYR A 17 8.921 -5.052 3.535 1.00 0.00 H new ATOM 0 HA TYR A 17 10.208 -2.641 3.630 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.469 -4.086 1.746 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.750 -4.094 1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.832 -2.046 1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.728 -2.323 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.135 -0.185 -0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.030 -0.465 -1.465 1.00 0.00 H new ATOM 0 HH TYR A 17 9.420 1.014 -2.336 1.00 0.00 H new ATOM 246 N ALA A 18 7.121 -2.141 2.534 1.00 0.00 N ATOM 247 CA ALA A 18 6.053 -1.153 2.457 1.00 0.00 C ATOM 248 C ALA A 18 5.851 -0.456 3.798 1.00 0.00 C ATOM 249 O ALA A 18 5.534 0.732 3.849 1.00 0.00 O ATOM 250 CB ALA A 18 4.758 -1.809 2.001 1.00 0.00 C ATOM 0 H ALA A 18 6.918 -3.019 2.056 1.00 0.00 H new ATOM 0 HA ALA A 18 6.343 -0.399 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.969 -1.059 1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.902 -2.254 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.474 -2.585 2.711 1.00 0.00 H new ATOM 256 N GLU A 19 6.036 -1.204 4.882 1.00 0.00 N ATOM 257 CA GLU A 19 5.872 -0.657 6.223 1.00 0.00 C ATOM 258 C GLU A 19 6.983 0.338 6.545 1.00 0.00 C ATOM 259 O GLU A 19 6.751 1.545 6.619 1.00 0.00 O ATOM 260 CB GLU A 19 5.865 -1.783 7.260 1.00 0.00 C ATOM 261 CG GLU A 19 5.415 -1.336 8.641 1.00 0.00 C ATOM 262 CD GLU A 19 5.652 -2.393 9.702 1.00 0.00 C ATOM 263 OE1 GLU A 19 6.611 -3.179 9.551 1.00 0.00 O ATOM 264 OE2 GLU A 19 4.880 -2.434 10.682 1.00 0.00 O ATOM 0 H GLU A 19 6.299 -2.189 4.857 1.00 0.00 H new ATOM 0 HA GLU A 19 4.917 -0.133 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.208 -2.581 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.867 -2.205 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.947 -0.425 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.354 -1.088 8.611 1.00 0.00 H new ATOM 271 N THR A 20 8.194 -0.177 6.736 1.00 0.00 N ATOM 272 CA THR A 20 9.342 0.664 7.051 1.00 0.00 C ATOM 273 C THR A 20 9.547 1.735 5.986 1.00 0.00 C ATOM 274 O THR A 20 10.294 2.692 6.190 1.00 0.00 O ATOM 275 CB THR A 20 10.630 -0.170 7.180 1.00 0.00 C ATOM 276 OG1 THR A 20 11.684 0.637 7.717 1.00 0.00 O ATOM 277 CG2 THR A 20 11.051 -0.729 5.829 1.00 0.00 C ATOM 0 H THR A 20 8.405 -1.173 6.678 1.00 0.00 H new ATOM 0 HA THR A 20 9.131 1.143 8.007 1.00 0.00 H new ATOM 0 HB THR A 20 10.431 -1.003 7.854 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.505 1.581 7.522 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.963 -1.314 5.946 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.259 -1.366 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.233 0.092 5.136 1.00 0.00 H new ATOM 285 N PHE A 21 8.880 1.568 4.849 1.00 0.00 N ATOM 286 CA PHE A 21 8.990 2.521 3.751 1.00 0.00 C ATOM 287 C PHE A 21 7.883 3.569 3.828 1.00 0.00 C ATOM 288 O PHE A 21 8.107 4.747 3.546 1.00 0.00 O ATOM 289 CB PHE A 21 8.927 1.793 2.407 1.00 0.00 C ATOM 290 CG PHE A 21 8.501 2.674 1.268 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.201 3.832 0.971 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.401 2.344 0.493 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.810 4.645 -0.077 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.006 3.152 -0.557 1.00 0.00 C ATOM 295 CZ PHE A 21 7.713 4.304 -0.842 1.00 0.00 C ATOM 0 H PHE A 21 8.257 0.781 4.664 1.00 0.00 H new ATOM 0 HA PHE A 21 9.952 3.027 3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.908 1.373 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.233 0.956 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.062 4.103 1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.845 1.444 0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.363 5.546 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.147 2.883 -1.153 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.408 4.937 -1.662 1.00 0.00 H new ATOM 305 N LEU A 22 6.688 3.131 4.209 1.00 0.00 N ATOM 306 CA LEU A 22 5.544 4.030 4.322 1.00 0.00 C ATOM 307 C LEU A 22 5.448 4.614 5.728 1.00 0.00 C ATOM 308 O LEU A 22 4.582 5.442 6.008 1.00 0.00 O ATOM 309 CB LEU A 22 4.252 3.288 3.977 1.00 0.00 C ATOM 310 CG LEU A 22 4.055 2.934 2.502 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.865 2.003 2.332 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.872 4.195 1.671 1.00 0.00 C ATOM 0 H LEU A 22 6.486 2.159 4.445 1.00 0.00 H new ATOM 0 HA LEU A 22 5.685 4.849 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.219 2.367 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.409 3.899 4.299 1.00 0.00 H new ATOM 0 HG LEU A 22 4.948 2.417 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.740 1.762 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.037 1.086 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.964 2.493 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.733 3.924 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.996 4.740 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.755 4.826 1.768 1.00 0.00 H new ATOM 324 N GLU A 23 6.346 4.179 6.607 1.00 0.00 N ATOM 325 CA GLU A 23 6.362 4.662 7.983 1.00 0.00 C ATOM 326 C GLU A 23 6.188 6.177 8.031 1.00 0.00 C ATOM 327 O GLU A 23 5.265 6.702 8.654 1.00 0.00 O ATOM 328 CB GLU A 23 7.671 4.265 8.670 1.00 0.00 C ATOM 329 CG GLU A 23 7.583 2.957 9.438 1.00 0.00 C ATOM 330 CD GLU A 23 8.740 2.767 10.400 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.850 3.252 10.097 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.535 2.132 11.456 1.00 0.00 O ATOM 0 H GLU A 23 7.071 3.494 6.391 1.00 0.00 H new ATOM 0 HA GLU A 23 5.528 4.202 8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.456 4.183 7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.968 5.059 9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.645 2.928 9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.562 2.126 8.733 1.00 0.00 H new ATOM 339 N PRO A 24 7.097 6.898 7.358 1.00 0.00 N ATOM 340 CA PRO A 24 7.067 8.362 7.308 1.00 0.00 C ATOM 341 C PRO A 24 5.896 8.890 6.486 1.00 0.00 C ATOM 342 O PRO A 24 5.649 10.095 6.443 1.00 0.00 O ATOM 343 CB PRO A 24 8.395 8.722 6.638 1.00 0.00 C ATOM 344 CG PRO A 24 8.749 7.523 5.829 1.00 0.00 C ATOM 345 CD PRO A 24 8.225 6.338 6.593 1.00 0.00 C ATOM 0 HA PRO A 24 6.941 8.801 8.298 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.294 9.607 6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.165 8.942 7.378 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.302 7.576 4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.828 7.451 5.689 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.901 5.540 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.985 5.915 7.249 1.00 0.00 H new ATOM 353 N TRP A 25 5.179 7.981 5.835 1.00 0.00 N ATOM 354 CA TRP A 25 4.033 8.356 5.015 1.00 0.00 C ATOM 355 C TRP A 25 2.724 8.000 5.712 1.00 0.00 C ATOM 356 O TRP A 25 1.668 8.542 5.385 1.00 0.00 O ATOM 357 CB TRP A 25 4.105 7.661 3.654 1.00 0.00 C ATOM 358 CG TRP A 25 4.844 8.456 2.620 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.344 9.468 1.852 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.216 8.302 2.241 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.322 9.953 1.018 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.480 9.255 1.237 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.248 7.454 2.652 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.732 9.380 0.641 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.490 7.579 2.059 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.724 8.537 1.063 1.00 0.00 C ATOM 0 H TRP A 25 5.371 6.980 5.859 1.00 0.00 H new ATOM 0 HA TRP A 25 4.062 9.435 4.867 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.591 6.693 3.774 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.093 7.468 3.299 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.329 9.834 1.894 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.205 10.710 0.345 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.078 6.714 3.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.914 10.117 -0.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.294 6.927 2.368 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.706 8.611 0.620 1.00 0.00 H new ATOM 377 N PHE A 26 2.800 7.086 6.674 1.00 0.00 N ATOM 378 CA PHE A 26 1.621 6.658 7.417 1.00 0.00 C ATOM 379 C PHE A 26 1.906 6.619 8.915 1.00 0.00 C ATOM 380 O PHE A 26 1.085 7.046 9.727 1.00 0.00 O ATOM 381 CB PHE A 26 1.164 5.279 6.937 1.00 0.00 C ATOM 382 CG PHE A 26 0.535 5.296 5.573 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.375 6.281 5.228 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.855 4.326 4.637 1.00 0.00 C ATOM 385 CE1 PHE A 26 -0.955 6.300 3.973 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.279 4.340 3.380 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.628 5.328 3.049 1.00 0.00 C ATOM 0 H PHE A 26 3.666 6.628 6.957 1.00 0.00 H new ATOM 0 HA PHE A 26 0.826 7.381 7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.021 4.605 6.925 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.449 4.873 7.653 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.635 7.043 5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.562 3.550 4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.663 7.074 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.538 3.580 2.658 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.081 5.340 2.069 1.00 0.00 H new ATOM 397 N LYS A 27 3.077 6.104 9.275 1.00 0.00 N ATOM 398 CA LYS A 27 3.474 6.009 10.675 1.00 0.00 C ATOM 399 C LYS A 27 3.905 7.370 11.212 1.00 0.00 C ATOM 400 O LYS A 27 4.644 8.102 10.554 1.00 0.00 O ATOM 401 CB LYS A 27 4.613 5.001 10.836 1.00 0.00 C ATOM 402 CG LYS A 27 4.793 4.508 12.262 1.00 0.00 C ATOM 403 CD LYS A 27 6.028 3.634 12.399 1.00 0.00 C ATOM 404 CE LYS A 27 6.592 3.683 13.810 1.00 0.00 C ATOM 405 NZ LYS A 27 7.584 4.782 13.973 1.00 0.00 N ATOM 0 H LYS A 27 3.768 5.746 8.616 1.00 0.00 H new ATOM 0 HA LYS A 27 2.612 5.668 11.249 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.425 4.146 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.543 5.459 10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.874 5.361 12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.912 3.944 12.567 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.777 2.605 12.142 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.788 3.963 11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.778 3.820 14.522 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.064 2.729 14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.945 4.782 14.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.373 4.638 13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.127 5.695 13.773 1.00 0.00 H new ATOM 419 N ALA A 28 3.440 7.702 12.412 1.00 0.00 N ATOM 420 CA ALA A 28 3.781 8.974 13.038 1.00 0.00 C ATOM 421 C ALA A 28 5.255 9.308 12.835 1.00 0.00 C ATOM 422 O ALA A 28 6.086 8.434 12.589 1.00 0.00 O ATOM 423 CB ALA A 28 3.445 8.938 14.521 1.00 0.00 C ATOM 0 H ALA A 28 2.826 7.108 12.970 1.00 0.00 H new ATOM 0 HA ALA A 28 3.190 9.756 12.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.705 9.894 14.976 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.378 8.753 14.648 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.011 8.141 15.003 1.00 0.00 H new ATOM 429 N PRO A 29 5.588 10.603 12.940 1.00 0.00 N ATOM 430 CA PRO A 29 4.607 11.652 13.231 1.00 0.00 C ATOM 431 C PRO A 29 3.651 11.891 12.068 1.00 0.00 C ATOM 432 O PRO A 29 2.693 12.654 12.187 1.00 0.00 O ATOM 433 CB PRO A 29 5.474 12.890 13.474 1.00 0.00 C ATOM 434 CG PRO A 29 6.730 12.628 12.717 1.00 0.00 C ATOM 435 CD PRO A 29 6.949 11.142 12.780 1.00 0.00 C ATOM 0 HA PRO A 29 3.968 11.390 14.074 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.980 13.795 13.120 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.674 13.031 14.536 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.641 12.966 11.685 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.570 13.165 13.157 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.426 10.767 11.874 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.592 10.866 13.616 1.00 0.00 H new ATOM 443 N ASN A 30 3.918 11.234 10.944 1.00 0.00 N ATOM 444 CA ASN A 30 3.080 11.376 9.759 1.00 0.00 C ATOM 445 C ASN A 30 1.782 10.589 9.912 1.00 0.00 C ATOM 446 O ASN A 30 1.736 9.576 10.611 1.00 0.00 O ATOM 447 CB ASN A 30 3.834 10.900 8.516 1.00 0.00 C ATOM 448 CG ASN A 30 4.815 11.937 8.002 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.587 12.563 6.967 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.913 12.122 8.725 1.00 0.00 N ATOM 0 H ASN A 30 4.707 10.598 10.829 1.00 0.00 H new ATOM 0 HA ASN A 30 2.833 12.431 9.644 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.371 9.981 8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.118 10.660 7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.609 12.806 8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.060 11.580 9.577 1.00 0.00 H new ATOM 457 N LYS A 31 0.729 11.061 9.254 1.00 0.00 N ATOM 458 CA LYS A 31 -0.570 10.401 9.315 1.00 0.00 C ATOM 459 C LYS A 31 -1.566 11.074 8.376 1.00 0.00 C ATOM 460 O LYS A 31 -1.345 12.196 7.921 1.00 0.00 O ATOM 461 CB LYS A 31 -1.109 10.422 10.747 1.00 0.00 C ATOM 462 CG LYS A 31 -1.003 11.780 11.417 1.00 0.00 C ATOM 463 CD LYS A 31 -2.049 11.948 12.506 1.00 0.00 C ATOM 464 CE LYS A 31 -3.373 12.435 11.937 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.353 12.759 13.011 1.00 0.00 N ATOM 0 H LYS A 31 0.749 11.898 8.672 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.440 9.366 8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.154 10.112 10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.564 9.689 11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.008 11.898 11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.124 12.565 10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.199 10.997 13.017 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.689 12.657 13.251 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.201 13.319 11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.791 11.670 11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.791 13.682 12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.090 12.026 13.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.864 12.796 13.928 1.00 0.00 H new ATOM 479 N GLY A 32 -2.665 10.381 8.090 1.00 0.00 N ATOM 480 CA GLY A 32 -3.679 10.929 7.208 1.00 0.00 C ATOM 481 C GLY A 32 -4.418 9.853 6.437 1.00 0.00 C ATOM 482 O GLY A 32 -4.453 8.694 6.851 1.00 0.00 O ATOM 0 H GLY A 32 -2.871 9.450 8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.393 11.507 7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.211 11.619 6.506 1.00 0.00 H new ATOM 486 N THR A 33 -5.015 10.237 5.313 1.00 0.00 N ATOM 487 CA THR A 33 -5.760 9.299 4.484 1.00 0.00 C ATOM 488 C THR A 33 -4.959 8.897 3.252 1.00 0.00 C ATOM 489 O THR A 33 -3.907 9.471 2.968 1.00 0.00 O ATOM 490 CB THR A 33 -7.108 9.894 4.034 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.892 11.133 3.350 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.025 10.121 5.227 1.00 0.00 C ATOM 0 H THR A 33 -4.997 11.192 4.956 1.00 0.00 H new ATOM 0 HA THR A 33 -5.947 8.417 5.096 1.00 0.00 H new ATOM 0 HB THR A 33 -7.586 9.184 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.680 11.349 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.970 10.542 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.211 9.171 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.551 10.813 5.923 1.00 0.00 H new ATOM 500 N PHE A 34 -5.461 7.906 2.521 1.00 0.00 N ATOM 501 CA PHE A 34 -4.791 7.427 1.318 1.00 0.00 C ATOM 502 C PHE A 34 -5.691 6.475 0.537 1.00 0.00 C ATOM 503 O PHE A 34 -6.732 6.042 1.032 1.00 0.00 O ATOM 504 CB PHE A 34 -3.482 6.725 1.684 1.00 0.00 C ATOM 505 CG PHE A 34 -3.660 5.591 2.653 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.134 5.826 3.934 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.354 4.291 2.284 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.299 4.785 4.829 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.518 3.247 3.174 1.00 0.00 C ATOM 510 CZ PHE A 34 -3.990 3.494 4.448 1.00 0.00 C ATOM 0 H PHE A 34 -6.330 7.419 2.741 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.570 8.288 0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.016 6.345 0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.795 7.455 2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.377 6.834 4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.983 4.092 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.669 4.981 5.825 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.277 2.238 2.873 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.117 2.679 5.145 1.00 0.00 H new ATOM 520 N GLN A 35 -5.283 6.154 -0.687 1.00 0.00 N ATOM 521 CA GLN A 35 -6.053 5.254 -1.537 1.00 0.00 C ATOM 522 C GLN A 35 -5.138 4.265 -2.252 1.00 0.00 C ATOM 523 O GLN A 35 -4.327 4.652 -3.094 1.00 0.00 O ATOM 524 CB GLN A 35 -6.860 6.053 -2.562 1.00 0.00 C ATOM 525 CG GLN A 35 -6.032 7.074 -3.327 1.00 0.00 C ATOM 526 CD GLN A 35 -6.813 7.740 -4.442 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.825 8.966 -4.560 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.471 6.935 -5.268 1.00 0.00 N ATOM 0 H GLN A 35 -4.424 6.504 -1.112 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.739 4.693 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.316 5.362 -3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.674 6.567 -2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.672 7.836 -2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.154 6.583 -3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.433 5.925 -5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.014 7.327 -6.037 1.00 0.00 H new ATOM 537 N ILE A 36 -5.275 2.988 -1.912 1.00 0.00 N ATOM 538 CA ILE A 36 -4.461 1.944 -2.522 1.00 0.00 C ATOM 539 C ILE A 36 -5.061 1.484 -3.847 1.00 0.00 C ATOM 540 O ILE A 36 -6.281 1.430 -4.003 1.00 0.00 O ATOM 541 CB ILE A 36 -4.313 0.728 -1.589 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.557 1.122 -0.318 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.598 -0.407 -2.307 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.700 0.120 0.805 1.00 0.00 C ATOM 0 H ILE A 36 -5.942 2.651 -1.217 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.476 2.376 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.307 0.383 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.500 1.241 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.918 2.092 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.501 -1.259 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.173 -0.701 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.607 -0.075 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.138 0.464 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.752 0.019 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.313 -0.846 0.482 1.00 0.00 H new ATOM 556 N VAL A 37 -4.194 1.152 -4.798 1.00 0.00 N ATOM 557 CA VAL A 37 -4.637 0.693 -6.110 1.00 0.00 C ATOM 558 C VAL A 37 -3.686 -0.356 -6.675 1.00 0.00 C ATOM 559 O VAL A 37 -2.494 -0.099 -6.848 1.00 0.00 O ATOM 560 CB VAL A 37 -4.746 1.862 -7.106 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.160 1.356 -8.480 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.726 2.907 -6.596 1.00 0.00 C ATOM 0 H VAL A 37 -3.181 1.192 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.623 0.249 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.766 2.331 -7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.232 2.196 -9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.417 0.648 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.128 0.861 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.790 3.726 -7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.710 2.454 -6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.381 3.291 -5.636 1.00 0.00 H new ATOM 572 N TYR A 38 -4.220 -1.538 -6.961 1.00 0.00 N ATOM 573 CA TYR A 38 -3.418 -2.627 -7.506 1.00 0.00 C ATOM 574 C TYR A 38 -3.386 -2.570 -9.030 1.00 0.00 C ATOM 575 O TYR A 38 -4.381 -2.860 -9.696 1.00 0.00 O ATOM 576 CB TYR A 38 -3.973 -3.976 -7.046 1.00 0.00 C ATOM 577 CG TYR A 38 -3.107 -5.152 -7.436 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.046 -5.555 -6.635 1.00 0.00 C ATOM 579 CD2 TYR A 38 -3.350 -5.861 -8.607 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.252 -6.629 -6.988 1.00 0.00 C ATOM 581 CE2 TYR A 38 -2.561 -6.937 -8.967 1.00 0.00 C ATOM 582 CZ TYR A 38 -1.513 -7.316 -8.155 1.00 0.00 C ATOM 583 OH TYR A 38 -0.725 -8.387 -8.509 1.00 0.00 O ATOM 0 H TYR A 38 -5.205 -1.767 -6.825 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.399 -2.515 -7.135 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.086 -3.962 -5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.969 -4.113 -7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.838 -5.019 -5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.169 -5.566 -9.246 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.431 -6.929 -6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.764 -7.478 -9.879 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.043 -8.761 -9.357 1.00 0.00 H new ATOM 593 N LYS A 39 -2.235 -2.196 -9.578 1.00 0.00 N ATOM 594 CA LYS A 39 -2.069 -2.103 -11.023 1.00 0.00 C ATOM 595 C LYS A 39 -1.259 -3.281 -11.556 1.00 0.00 C ATOM 596 O LYS A 39 -0.342 -3.766 -10.893 1.00 0.00 O ATOM 597 CB LYS A 39 -1.380 -0.788 -11.394 1.00 0.00 C ATOM 598 CG LYS A 39 -2.287 0.426 -11.286 1.00 0.00 C ATOM 599 CD LYS A 39 -1.487 1.715 -11.210 1.00 0.00 C ATOM 600 CE LYS A 39 -2.396 2.930 -11.107 1.00 0.00 C ATOM 601 NZ LYS A 39 -1.706 4.178 -11.537 1.00 0.00 N ATOM 0 H LYS A 39 -1.402 -1.952 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.059 -2.130 -11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.516 -0.644 -10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.004 -0.860 -12.414 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.954 0.461 -12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.915 0.334 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.823 1.682 -10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.856 1.805 -12.094 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.282 2.774 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.739 3.041 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.359 4.983 -11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.875 4.341 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.401 4.083 -12.527 1.00 0.00 H new ATOM 760 N GLU A 49 -6.732 -8.774 -4.599 1.00 0.00 N ATOM 761 CA GLU A 49 -7.431 -8.179 -3.466 1.00 0.00 C ATOM 762 C GLU A 49 -6.574 -8.242 -2.205 1.00 0.00 C ATOM 763 O GLU A 49 -6.355 -7.229 -1.541 1.00 0.00 O ATOM 764 CB GLU A 49 -8.762 -8.894 -3.228 1.00 0.00 C ATOM 765 CG GLU A 49 -8.624 -10.396 -3.048 1.00 0.00 C ATOM 766 CD GLU A 49 -9.941 -11.128 -3.214 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.693 -10.793 -4.153 1.00 0.00 O ATOM 768 OE2 GLU A 49 -10.221 -12.036 -2.404 1.00 0.00 O ATOM 0 HA GLU A 49 -7.626 -7.132 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.237 -8.473 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.426 -8.697 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.906 -10.780 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.220 -10.604 -2.057 1.00 0.00 H new ATOM 775 N GLU A 50 -6.094 -9.438 -1.882 1.00 0.00 N ATOM 776 CA GLU A 50 -5.263 -9.633 -0.699 1.00 0.00 C ATOM 777 C GLU A 50 -4.210 -8.534 -0.587 1.00 0.00 C ATOM 778 O GLU A 50 -4.156 -7.809 0.406 1.00 0.00 O ATOM 779 CB GLU A 50 -4.583 -11.003 -0.746 1.00 0.00 C ATOM 780 CG GLU A 50 -5.421 -12.119 -0.144 1.00 0.00 C ATOM 781 CD GLU A 50 -6.864 -12.081 -0.608 1.00 0.00 C ATOM 782 OE1 GLU A 50 -7.643 -11.276 -0.056 1.00 0.00 O ATOM 783 OE2 GLU A 50 -7.214 -12.855 -1.523 1.00 0.00 O ATOM 0 H GLU A 50 -6.266 -10.286 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.908 -9.586 0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.354 -11.250 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.633 -10.946 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.983 -13.081 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.391 -12.045 0.943 1.00 0.00 H new ATOM 790 N VAL A 51 -3.373 -8.418 -1.614 1.00 0.00 N ATOM 791 CA VAL A 51 -2.322 -7.408 -1.632 1.00 0.00 C ATOM 792 C VAL A 51 -2.861 -6.045 -1.213 1.00 0.00 C ATOM 793 O VAL A 51 -2.222 -5.321 -0.449 1.00 0.00 O ATOM 794 CB VAL A 51 -1.683 -7.288 -3.029 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.756 -6.084 -3.091 1.00 0.00 C ATOM 796 CG2 VAL A 51 -0.936 -8.565 -3.384 1.00 0.00 C ATOM 0 H VAL A 51 -3.403 -9.011 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.563 -7.729 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.477 -7.143 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.314 -6.016 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.323 -5.177 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.035 -6.195 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.491 -8.463 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.151 -8.743 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.631 -9.405 -3.383 1.00 0.00 H new ATOM 806 N ILE A 52 -4.041 -5.701 -1.718 1.00 0.00 N ATOM 807 CA ILE A 52 -4.668 -4.425 -1.395 1.00 0.00 C ATOM 808 C ILE A 52 -5.176 -4.412 0.042 1.00 0.00 C ATOM 809 O ILE A 52 -4.671 -3.668 0.884 1.00 0.00 O ATOM 810 CB ILE A 52 -5.839 -4.117 -2.346 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.340 -4.011 -3.788 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.538 -2.832 -1.926 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.453 -3.997 -4.813 1.00 0.00 C ATOM 0 H ILE A 52 -4.582 -6.288 -2.353 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.904 -3.657 -1.514 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.558 -4.934 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.749 -3.102 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.675 -4.849 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.364 -2.627 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.923 -2.942 -0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.829 -2.005 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.026 -3.920 -5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.031 -4.918 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.105 -3.143 -4.630 1.00 0.00 H new ATOM 825 N ARG A 53 -6.179 -5.239 0.317 1.00 0.00 N ATOM 826 CA ARG A 53 -6.756 -5.323 1.654 1.00 0.00 C ATOM 827 C ARG A 53 -5.663 -5.415 2.714 1.00 0.00 C ATOM 828 O ARG A 53 -5.839 -4.958 3.842 1.00 0.00 O ATOM 829 CB ARG A 53 -7.685 -6.534 1.756 1.00 0.00 C ATOM 830 CG ARG A 53 -9.072 -6.289 1.185 1.00 0.00 C ATOM 831 CD ARG A 53 -9.662 -7.558 0.591 1.00 0.00 C ATOM 832 NE ARG A 53 -11.119 -7.585 0.694 1.00 0.00 N ATOM 833 CZ ARG A 53 -11.881 -8.495 0.098 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.327 -9.449 -0.639 1.00 0.00 N ATOM 835 NH2 ARG A 53 -13.199 -8.454 0.240 1.00 0.00 N ATOM 0 H ARG A 53 -6.609 -5.861 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.333 -4.415 1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.230 -7.375 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.778 -6.822 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.729 -5.914 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.019 -5.517 0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.371 -7.637 -0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.246 -8.425 1.104 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.576 -6.866 1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.314 -9.485 -0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.915 -10.147 -1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.628 -7.723 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.783 -9.153 -0.218 1.00 0.00 H new ATOM 849 N GLU A 54 -4.534 -6.011 2.341 1.00 0.00 N ATOM 850 CA GLU A 54 -3.413 -6.164 3.261 1.00 0.00 C ATOM 851 C GLU A 54 -2.637 -4.857 3.397 1.00 0.00 C ATOM 852 O GLU A 54 -2.502 -4.313 4.494 1.00 0.00 O ATOM 853 CB GLU A 54 -2.478 -7.276 2.780 1.00 0.00 C ATOM 854 CG GLU A 54 -1.668 -7.915 3.895 1.00 0.00 C ATOM 855 CD GLU A 54 -0.375 -7.174 4.176 1.00 0.00 C ATOM 856 OE1 GLU A 54 0.440 -7.028 3.242 1.00 0.00 O ATOM 857 OE2 GLU A 54 -0.180 -6.741 5.331 1.00 0.00 O ATOM 0 H GLU A 54 -4.372 -6.395 1.410 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.814 -6.432 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.068 -8.046 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.795 -6.868 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.269 -7.946 4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.440 -8.947 3.628 1.00 0.00 H new ATOM 864 N LEU A 55 -2.130 -4.357 2.275 1.00 0.00 N ATOM 865 CA LEU A 55 -1.368 -3.114 2.267 1.00 0.00 C ATOM 866 C LEU A 55 -2.039 -2.058 3.139 1.00 0.00 C ATOM 867 O LEU A 55 -1.368 -1.247 3.778 1.00 0.00 O ATOM 868 CB LEU A 55 -1.220 -2.592 0.837 1.00 0.00 C ATOM 869 CG LEU A 55 -0.018 -3.117 0.051 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.229 -2.921 -1.442 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.260 -2.427 0.506 1.00 0.00 C ATOM 0 H LEU A 55 -2.233 -4.794 1.359 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.379 -3.321 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.126 -2.841 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.158 -1.504 0.873 1.00 0.00 H new ATOM 0 HG LEU A 55 0.080 -4.185 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.637 -3.301 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.121 -3.462 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.354 -1.859 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.105 -2.813 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.172 -1.353 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.420 -2.620 1.567 1.00 0.00 H new ATOM 883 N ALA A 56 -3.368 -2.075 3.163 1.00 0.00 N ATOM 884 CA ALA A 56 -4.130 -1.122 3.960 1.00 0.00 C ATOM 885 C ALA A 56 -4.123 -1.510 5.434 1.00 0.00 C ATOM 886 O ALA A 56 -3.943 -0.663 6.308 1.00 0.00 O ATOM 887 CB ALA A 56 -5.558 -1.026 3.444 1.00 0.00 C ATOM 0 H ALA A 56 -3.939 -2.739 2.639 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.655 -0.145 3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.116 -0.311 4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.548 -0.694 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.034 -2.004 3.508 1.00 0.00 H new ATOM 893 N GLY A 57 -4.321 -2.797 5.704 1.00 0.00 N ATOM 894 CA GLY A 57 -4.334 -3.274 7.075 1.00 0.00 C ATOM 895 C GLY A 57 -3.062 -2.927 7.822 1.00 0.00 C ATOM 896 O GLY A 57 -3.073 -2.778 9.044 1.00 0.00 O ATOM 0 H GLY A 57 -4.473 -3.518 4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.188 -2.843 7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.470 -4.355 7.079 1.00 0.00 H new ATOM 900 N ILE A 58 -1.962 -2.801 7.087 1.00 0.00 N ATOM 901 CA ILE A 58 -0.676 -2.471 7.688 1.00 0.00 C ATOM 902 C ILE A 58 -0.607 -0.994 8.064 1.00 0.00 C ATOM 903 O ILE A 58 -0.126 -0.638 9.139 1.00 0.00 O ATOM 904 CB ILE A 58 0.491 -2.802 6.739 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.480 -4.290 6.382 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.818 -2.414 7.375 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.590 -4.692 5.436 1.00 0.00 C ATOM 0 H ILE A 58 -1.936 -2.922 6.075 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.584 -3.078 8.589 1.00 0.00 H new ATOM 0 HB ILE A 58 0.368 -2.226 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.564 -4.876 7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.480 -4.540 5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.633 -2.654 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.823 -1.344 7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.950 -2.965 8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.521 -5.759 5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.495 -4.133 4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.555 -4.474 5.894 1.00 0.00 H new ATOM 919 N VAL A 59 -1.095 -0.139 7.170 1.00 0.00 N ATOM 920 CA VAL A 59 -1.092 1.300 7.409 1.00 0.00 C ATOM 921 C VAL A 59 -1.648 1.629 8.789 1.00 0.00 C ATOM 922 O VAL A 59 -0.989 2.288 9.595 1.00 0.00 O ATOM 923 CB VAL A 59 -1.916 2.047 6.344 1.00 0.00 C ATOM 924 CG1 VAL A 59 -2.042 3.520 6.701 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.289 1.875 4.968 1.00 0.00 C ATOM 0 H VAL A 59 -1.497 -0.417 6.275 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.054 1.628 7.351 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.918 1.618 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.627 4.031 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.539 3.619 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.049 3.967 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.884 2.409 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.276 2.276 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.257 0.816 4.712 1.00 0.00 H new ATOM 935 N CYS A 60 -2.865 1.166 9.057 1.00 0.00 N ATOM 936 CA CYS A 60 -3.511 1.412 10.341 1.00 0.00 C ATOM 937 C CYS A 60 -2.629 0.939 11.492 1.00 0.00 C ATOM 938 O CYS A 60 -2.565 1.579 12.543 1.00 0.00 O ATOM 939 CB CYS A 60 -4.866 0.705 10.397 1.00 0.00 C ATOM 940 SG CYS A 60 -6.160 1.512 9.426 1.00 0.00 S ATOM 0 H CYS A 60 -3.423 0.619 8.402 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.665 2.486 10.443 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.745 -0.318 10.042 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.190 0.645 11.436 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.094 2.799 9.600 1.00 0.00 H new ATOM 946 N THR A 61 -1.952 -0.187 11.289 1.00 0.00 N ATOM 947 CA THR A 61 -1.077 -0.747 12.311 1.00 0.00 C ATOM 948 C THR A 61 -0.014 0.259 12.736 1.00 0.00 C ATOM 949 O THR A 61 0.408 0.280 13.893 1.00 0.00 O ATOM 950 CB THR A 61 -0.384 -2.030 11.814 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.363 -2.980 11.380 1.00 0.00 O ATOM 952 CG2 THR A 61 0.473 -2.642 12.912 1.00 0.00 C ATOM 0 H THR A 61 -1.993 -0.729 10.426 1.00 0.00 H new ATOM 0 HA THR A 61 -1.706 -0.990 13.168 1.00 0.00 H new ATOM 0 HB THR A 61 0.261 -1.766 10.976 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.760 -2.678 10.536 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.952 -3.547 12.538 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.237 -1.927 13.219 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.155 -2.891 13.767 1.00 0.00 H new ATOM 960 N LEU A 62 0.415 1.093 11.795 1.00 0.00 N ATOM 961 CA LEU A 62 1.430 2.104 12.074 1.00 0.00 C ATOM 962 C LEU A 62 0.862 3.219 12.945 1.00 0.00 C ATOM 963 O LEU A 62 1.276 3.398 14.090 1.00 0.00 O ATOM 964 CB LEU A 62 1.969 2.687 10.766 1.00 0.00 C ATOM 965 CG LEU A 62 2.503 1.676 9.751 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.597 2.306 8.370 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.859 1.144 10.190 1.00 0.00 C ATOM 0 H LEU A 62 0.076 1.089 10.833 1.00 0.00 H new ATOM 0 HA LEU A 62 2.246 1.625 12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.173 3.262 10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.769 3.388 11.006 1.00 0.00 H new ATOM 0 HG LEU A 62 1.807 0.839 9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.979 1.572 7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.608 2.637 8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.272 3.161 8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.223 0.426 9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.565 1.970 10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.761 0.654 11.159 1.00 0.00 H new ATOM 979 N ASN A 63 -0.091 3.966 12.396 1.00 0.00 N ATOM 980 CA ASN A 63 -0.717 5.063 13.124 1.00 0.00 C ATOM 981 C ASN A 63 -2.238 4.944 13.084 1.00 0.00 C ATOM 982 O ASN A 63 -2.846 4.987 12.015 1.00 0.00 O ATOM 983 CB ASN A 63 -0.284 6.407 12.535 1.00 0.00 C ATOM 984 CG ASN A 63 -0.284 7.518 13.567 1.00 0.00 C ATOM 985 OD1 ASN A 63 -0.990 7.445 14.573 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.510 8.554 13.322 1.00 0.00 N ATOM 0 H ASN A 63 -0.446 3.831 11.449 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.393 5.008 14.163 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.715 6.309 12.110 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.953 6.675 11.717 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.552 9.332 13.981 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.078 8.572 12.475 1.00 0.00 H new ATOM 993 N SER A 64 -2.846 4.797 14.257 1.00 0.00 N ATOM 994 CA SER A 64 -4.295 4.669 14.357 1.00 0.00 C ATOM 995 C SER A 64 -4.992 5.831 13.656 1.00 0.00 C ATOM 996 O SER A 64 -6.134 5.708 13.215 1.00 0.00 O ATOM 997 CB SER A 64 -4.723 4.612 15.824 1.00 0.00 C ATOM 998 OG SER A 64 -4.720 3.279 16.305 1.00 0.00 O ATOM 0 H SER A 64 -2.357 4.764 15.152 1.00 0.00 H new ATOM 0 HA SER A 64 -4.588 3.742 13.865 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.049 5.221 16.427 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.720 5.039 15.932 1.00 0.00 H new ATOM 0 HG SER A 64 -4.996 3.270 17.245 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.295 6.959 13.559 1.00 0.00 N ATOM 1005 CA GLU A 65 -4.847 8.145 12.914 1.00 0.00 C ATOM 1006 C GLU A 65 -5.006 7.922 11.412 1.00 0.00 C ATOM 1007 O GLU A 65 -5.831 8.564 10.763 1.00 0.00 O ATOM 1008 CB GLU A 65 -3.949 9.357 13.169 1.00 0.00 C ATOM 1009 CG GLU A 65 -3.950 9.822 14.615 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.346 10.097 15.138 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -5.990 9.151 15.637 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.795 11.259 15.049 1.00 0.00 O ATOM 0 H GLU A 65 -3.348 7.076 13.919 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.831 8.336 13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.928 9.110 12.876 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.273 10.179 12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.476 9.063 15.237 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.349 10.727 14.702 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.209 7.008 10.868 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.260 6.701 9.443 1.00 0.00 C ATOM 1021 C ASN A 66 -5.599 6.072 9.070 1.00 0.00 C ATOM 1022 O ASN A 66 -6.082 5.165 9.749 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.116 5.759 9.062 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.764 6.281 9.507 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.518 7.488 9.496 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.880 5.373 9.902 1.00 0.00 N ATOM 0 H ASN A 66 -3.521 6.467 11.392 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.151 7.635 8.891 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.290 4.781 9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.110 5.618 7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.047 5.665 10.213 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.127 4.383 9.895 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.193 6.558 7.985 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.474 6.042 7.518 1.00 0.00 C ATOM 1035 C LYS A 67 -7.556 6.086 5.996 1.00 0.00 C ATOM 1036 O LYS A 67 -7.718 7.153 5.403 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.624 6.851 8.125 1.00 0.00 C ATOM 1038 CG LYS A 67 -8.906 6.511 9.578 1.00 0.00 C ATOM 1039 CD LYS A 67 -9.685 5.212 9.706 1.00 0.00 C ATOM 1040 CE LYS A 67 -11.185 5.456 9.661 1.00 0.00 C ATOM 1041 NZ LYS A 67 -11.650 6.268 10.819 1.00 0.00 N ATOM 0 H LYS A 67 -5.807 7.309 7.413 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.558 5.004 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.390 7.913 8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.527 6.680 7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.965 6.427 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.470 7.322 10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.401 4.535 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.423 4.720 10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.442 5.967 8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.708 4.500 9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.645 6.045 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.068 6.048 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.562 7.279 10.592 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.446 4.919 5.368 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.510 4.824 3.915 1.00 0.00 C ATOM 1057 C VAL A 68 -8.872 5.270 3.395 1.00 0.00 C ATOM 1058 O VAL A 68 -9.899 4.679 3.730 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.234 3.388 3.434 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.137 2.399 4.156 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.416 3.286 1.927 1.00 0.00 C ATOM 0 H VAL A 68 -7.312 4.027 5.843 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.739 5.486 3.520 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.200 3.138 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.927 1.390 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.952 2.454 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.180 2.644 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.217 2.264 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.439 3.556 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.723 3.965 1.430 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.873 6.314 2.574 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.110 6.838 2.005 1.00 0.00 C ATOM 1073 C ASP A 69 -10.045 6.848 0.481 1.00 0.00 C ATOM 1074 O ASP A 69 -8.974 7.010 -0.105 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.377 8.251 2.526 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.853 8.598 2.528 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.674 7.694 2.788 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.187 9.773 2.269 1.00 0.00 O ATOM 0 H ASP A 69 -8.032 6.814 2.287 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.928 6.186 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.984 8.342 3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.838 8.970 1.909 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.198 6.674 -0.156 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.273 6.662 -1.613 1.00 0.00 C ATOM 1085 C LEU A 70 -12.044 7.873 -2.128 1.00 0.00 C ATOM 1086 O LEU A 70 -12.277 8.009 -3.330 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.940 5.374 -2.098 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.354 4.069 -1.558 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.229 2.888 -1.948 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.933 3.872 -2.066 1.00 0.00 C ATOM 0 H LEU A 70 -12.094 6.539 0.313 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.257 6.708 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.996 5.413 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.888 5.349 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.325 4.130 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.796 1.968 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.229 3.024 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.291 2.824 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.532 2.938 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.938 3.833 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.310 4.703 -1.735 1.00 0.00 H new ATOM 1102 N THR A 71 -12.437 8.752 -1.212 1.00 0.00 N ATOM 1103 CA THR A 71 -13.180 9.952 -1.573 1.00 0.00 C ATOM 1104 C THR A 71 -12.286 11.186 -1.533 1.00 0.00 C ATOM 1105 O THR A 71 -12.248 11.967 -2.483 1.00 0.00 O ATOM 1106 CB THR A 71 -14.381 10.173 -0.634 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.226 9.016 -0.640 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.183 11.394 -1.059 1.00 0.00 C ATOM 0 H THR A 71 -12.253 8.655 -0.214 1.00 0.00 H new ATOM 0 HA THR A 71 -13.544 9.803 -2.589 1.00 0.00 H new ATOM 0 HB THR A 71 -14.000 10.341 0.374 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.986 9.163 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.026 11.530 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.545 12.277 -1.027 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.553 11.251 -2.074 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.567 11.354 -0.429 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.671 12.494 -0.266 1.00 0.00 C ATOM 1118 C ASN A 72 -9.313 12.047 0.266 1.00 0.00 C ATOM 1119 O ASN A 72 -8.843 12.510 1.305 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.289 13.523 0.683 1.00 0.00 C ATOM 1121 CG ASN A 72 -12.144 14.542 -0.046 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -13.354 14.619 0.165 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -11.515 15.331 -0.910 1.00 0.00 N ATOM 0 H ASN A 72 -11.587 10.716 0.366 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.525 12.952 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.897 13.008 1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.495 14.039 1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.037 16.036 -1.430 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.510 15.232 -1.053 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.666 11.126 -0.464 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.352 10.597 -0.086 1.00 0.00 C ATOM 1132 C PRO A 73 -6.245 11.635 -0.235 1.00 0.00 C ATOM 1133 O PRO A 73 -6.205 12.376 -1.217 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.138 9.443 -1.068 1.00 0.00 C ATOM 1135 CG PRO A 73 -7.972 9.794 -2.252 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.167 10.531 -1.714 1.00 0.00 C ATOM 0 HA PRO A 73 -7.320 10.295 0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.087 9.344 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.446 8.492 -0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.413 10.415 -2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.277 8.899 -2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.516 11.293 -2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.005 9.859 -1.531 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.348 11.682 0.746 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.241 12.630 0.722 1.00 0.00 C ATOM 1146 C GLN A 74 -3.026 12.031 0.022 1.00 0.00 C ATOM 1147 O GLN A 74 -2.287 12.732 -0.670 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.869 13.048 2.146 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.920 13.916 2.820 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.712 15.394 2.557 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -5.588 16.070 2.018 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -3.547 15.905 2.938 1.00 0.00 N ATOM 0 H GLN A 74 -5.367 11.075 1.566 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.562 13.510 0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.708 12.154 2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.924 13.590 2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.909 13.624 2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.900 13.736 3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.849 15.308 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.350 16.894 2.787 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.825 10.731 0.207 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.697 10.037 -0.405 1.00 0.00 C ATOM 1163 C TYR A 75 -2.169 8.818 -1.191 1.00 0.00 C ATOM 1164 O TYR A 75 -2.884 7.964 -0.665 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.692 9.610 0.666 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.291 10.729 1.601 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.721 11.617 1.259 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.926 10.899 2.825 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.091 12.640 2.111 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.564 11.920 3.682 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.446 12.788 3.321 1.00 0.00 C ATOM 1172 OH TYR A 75 0.811 13.807 4.171 1.00 0.00 O ATOM 0 H TYR A 75 -3.428 10.136 0.776 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.211 10.726 -1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.120 8.796 1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.201 9.217 0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.227 11.506 0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.716 10.221 3.111 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.881 13.320 1.831 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.069 12.038 4.629 1.00 0.00 H new ATOM 0 HH TYR A 75 0.259 13.772 4.980 1.00 0.00 H new ATOM 1182 N THR A 76 -1.763 8.743 -2.454 1.00 0.00 N ATOM 1183 CA THR A 76 -2.143 7.629 -3.314 1.00 0.00 C ATOM 1184 C THR A 76 -1.024 6.598 -3.407 1.00 0.00 C ATOM 1185 O THR A 76 0.025 6.857 -3.997 1.00 0.00 O ATOM 1186 CB THR A 76 -2.500 8.111 -4.733 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.545 9.089 -4.670 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.940 6.946 -5.606 1.00 0.00 C ATOM 0 H THR A 76 -1.171 9.441 -2.905 1.00 0.00 H new ATOM 0 HA THR A 76 -3.021 7.168 -2.863 1.00 0.00 H new ATOM 0 HB THR A 76 -1.610 8.559 -5.175 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.765 9.391 -5.576 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.187 7.311 -6.603 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.132 6.218 -5.676 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.817 6.472 -5.166 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.254 5.428 -2.820 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.265 4.357 -2.838 1.00 0.00 C ATOM 1198 C VAL A 77 -0.636 3.283 -3.854 1.00 0.00 C ATOM 1199 O VAL A 77 -1.483 2.430 -3.591 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.118 3.705 -1.450 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.870 4.484 -0.596 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.471 3.610 -0.761 1.00 0.00 C ATOM 0 H VAL A 77 -2.116 5.198 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 77 0.685 4.809 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 77 0.270 2.695 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.961 4.009 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.844 4.496 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.515 5.507 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.349 3.147 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.889 4.609 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.146 3.005 -1.367 1.00 0.00 H new ATOM 1212 N VAL A 78 0.005 3.331 -5.018 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.256 2.361 -6.075 1.00 0.00 C ATOM 1214 C VAL A 78 0.836 1.298 -6.128 1.00 0.00 C ATOM 1215 O VAL A 78 1.991 1.563 -5.795 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.358 3.045 -7.451 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.383 4.169 -7.415 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.002 3.567 -7.888 1.00 0.00 C ATOM 0 H VAL A 78 0.709 4.031 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.209 1.887 -5.841 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.690 2.306 -8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.441 4.640 -8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.359 3.763 -7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.084 4.910 -6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.911 4.047 -8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.365 4.291 -7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.705 2.737 -7.957 1.00 0.00 H new ATOM 1228 N VAL A 79 0.462 0.094 -6.548 1.00 0.00 N ATOM 1229 CA VAL A 79 1.410 -1.010 -6.646 1.00 0.00 C ATOM 1230 C VAL A 79 1.456 -1.569 -8.064 1.00 0.00 C ATOM 1231 O VAL A 79 0.574 -2.323 -8.473 1.00 0.00 O ATOM 1232 CB VAL A 79 1.052 -2.145 -5.669 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.372 -1.740 -4.239 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.415 -2.525 -5.809 1.00 0.00 C ATOM 0 H VAL A 79 -0.491 -0.142 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 79 2.390 -0.611 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 79 1.655 -3.018 -5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.112 -2.555 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.436 -1.522 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.797 -0.852 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.651 -3.329 -5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.038 -1.658 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.608 -2.861 -6.828 1.00 0.00 H new ATOM 1244 N GLU A 80 2.492 -1.195 -8.808 1.00 0.00 N ATOM 1245 CA GLU A 80 2.653 -1.660 -10.181 1.00 0.00 C ATOM 1246 C GLU A 80 3.458 -2.956 -10.225 1.00 0.00 C ATOM 1247 O GLU A 80 4.443 -3.112 -9.503 1.00 0.00 O ATOM 1248 CB GLU A 80 3.343 -0.589 -11.028 1.00 0.00 C ATOM 1249 CG GLU A 80 3.542 -0.995 -12.479 1.00 0.00 C ATOM 1250 CD GLU A 80 3.710 0.197 -13.400 1.00 0.00 C ATOM 1251 OE1 GLU A 80 4.115 1.273 -12.912 1.00 0.00 O ATOM 1252 OE2 GLU A 80 3.435 0.054 -14.610 1.00 0.00 O ATOM 0 H GLU A 80 3.232 -0.572 -8.484 1.00 0.00 H new ATOM 0 HA GLU A 80 1.662 -1.854 -10.591 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.752 0.326 -10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.313 -0.359 -10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.421 -1.636 -12.556 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.687 -1.586 -12.808 1.00 0.00 H new ATOM 1259 N ILE A 81 3.032 -3.882 -11.077 1.00 0.00 N ATOM 1260 CA ILE A 81 3.712 -5.163 -11.217 1.00 0.00 C ATOM 1261 C ILE A 81 4.570 -5.196 -12.477 1.00 0.00 C ATOM 1262 O ILE A 81 4.050 -5.179 -13.594 1.00 0.00 O ATOM 1263 CB ILE A 81 2.710 -6.331 -11.260 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.741 -6.246 -10.079 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.446 -7.662 -11.253 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.424 -6.330 -8.731 1.00 0.00 C ATOM 0 H ILE A 81 2.218 -3.769 -11.681 1.00 0.00 H new ATOM 0 HA ILE A 81 4.352 -5.277 -10.342 1.00 0.00 H new ATOM 0 HB ILE A 81 2.135 -6.261 -12.183 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.188 -5.309 -10.140 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.012 -7.052 -10.159 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.723 -8.477 -11.284 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.098 -7.722 -12.124 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.045 -7.742 -10.346 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.677 -6.263 -7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.954 -7.279 -8.650 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.133 -5.508 -8.631 1.00 0.00 H new ATOM 1356 N CYS A 87 6.148 -2.518 -7.189 1.00 0.00 N ATOM 1357 CA CYS A 87 6.591 -1.129 -7.231 1.00 0.00 C ATOM 1358 C CYS A 87 5.580 -0.215 -6.546 1.00 0.00 C ATOM 1359 O CYS A 87 4.511 0.065 -7.090 1.00 0.00 O ATOM 1360 CB CYS A 87 6.802 -0.682 -8.678 1.00 0.00 C ATOM 1361 SG CYS A 87 8.281 -1.371 -9.455 1.00 0.00 S ATOM 0 HA CYS A 87 7.538 -1.060 -6.696 1.00 0.00 H new ATOM 0 HB2 CYS A 87 5.930 -0.967 -9.266 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.863 0.406 -8.706 1.00 0.00 H new ATOM 0 HG CYS A 87 8.372 -0.937 -10.677 1.00 0.00 H new ATOM 1367 N LEU A 88 5.924 0.246 -5.348 1.00 0.00 N ATOM 1368 CA LEU A 88 5.045 1.128 -4.587 1.00 0.00 C ATOM 1369 C LEU A 88 5.322 2.590 -4.918 1.00 0.00 C ATOM 1370 O LEU A 88 6.422 3.093 -4.687 1.00 0.00 O ATOM 1371 CB LEU A 88 5.227 0.889 -3.087 1.00 0.00 C ATOM 1372 CG LEU A 88 4.543 -0.354 -2.517 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.349 -1.602 -2.840 1.00 0.00 C ATOM 1374 CD2 LEU A 88 4.352 -0.215 -1.013 1.00 0.00 C ATOM 0 H LEU A 88 6.804 0.024 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 88 4.015 0.902 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.294 0.820 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.853 1.762 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 88 3.561 -0.450 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.847 -2.477 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.435 -1.710 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.344 -1.515 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.864 -1.109 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.323 -0.094 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.732 0.657 -0.804 1.00 0.00 H new ATOM 1386 N SER A 89 4.315 3.270 -5.459 1.00 0.00 N ATOM 1387 CA SER A 89 4.450 4.675 -5.823 1.00 0.00 C ATOM 1388 C SER A 89 3.507 5.544 -4.997 1.00 0.00 C ATOM 1389 O SER A 89 2.289 5.371 -5.038 1.00 0.00 O ATOM 1390 CB SER A 89 4.164 4.867 -7.314 1.00 0.00 C ATOM 1391 OG SER A 89 4.059 6.242 -7.640 1.00 0.00 O ATOM 0 H SER A 89 3.397 2.870 -5.655 1.00 0.00 H new ATOM 0 HA SER A 89 5.475 4.982 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.960 4.410 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.239 4.355 -7.579 1.00 0.00 H new ATOM 0 HG SER A 89 3.878 6.338 -8.598 1.00 0.00 H new ATOM 1397 N VAL A 90 4.079 6.480 -4.246 1.00 0.00 N ATOM 1398 CA VAL A 90 3.291 7.378 -3.410 1.00 0.00 C ATOM 1399 C VAL A 90 3.171 8.758 -4.047 1.00 0.00 C ATOM 1400 O VAL A 90 4.172 9.435 -4.279 1.00 0.00 O ATOM 1401 CB VAL A 90 3.908 7.524 -2.006 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.095 8.495 -1.164 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.007 6.167 -1.325 1.00 0.00 C ATOM 0 H VAL A 90 5.086 6.636 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 90 2.299 6.936 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 90 4.915 7.927 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.546 8.585 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.081 9.472 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.075 8.125 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.445 6.288 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.011 5.734 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.636 5.506 -1.921 1.00 0.00 H new ATOM 1413 N VAL A 91 1.938 9.169 -4.326 1.00 0.00 N ATOM 1414 CA VAL A 91 1.686 10.470 -4.935 1.00 0.00 C ATOM 1415 C VAL A 91 0.878 11.365 -4.002 1.00 0.00 C ATOM 1416 O VAL A 91 -0.170 10.966 -3.494 1.00 0.00 O ATOM 1417 CB VAL A 91 0.934 10.327 -6.272 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.737 11.689 -6.921 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.679 9.385 -7.204 1.00 0.00 C ATOM 0 H VAL A 91 1.098 8.620 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 91 2.658 10.927 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.049 9.900 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.204 11.569 -7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.157 12.329 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.708 12.147 -7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.133 9.296 -8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.676 9.780 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.762 8.403 -6.738 1.00 0.00 H new ATOM 1429 N LYS A 92 1.372 12.579 -3.782 1.00 0.00 N ATOM 1430 CA LYS A 92 0.696 13.534 -2.912 1.00 0.00 C ATOM 1431 C LYS A 92 -0.088 14.555 -3.730 1.00 0.00 C ATOM 1432 O LYS A 92 0.493 15.450 -4.344 1.00 0.00 O ATOM 1433 CB LYS A 92 1.713 14.251 -2.021 1.00 0.00 C ATOM 1434 CG LYS A 92 1.085 14.968 -0.838 1.00 0.00 C ATOM 1435 CD LYS A 92 2.142 15.568 0.075 1.00 0.00 C ATOM 1436 CE LYS A 92 1.517 16.211 1.304 1.00 0.00 C ATOM 1437 NZ LYS A 92 1.054 17.599 1.029 1.00 0.00 N ATOM 0 H LYS A 92 2.238 12.925 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.004 12.983 -2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.437 13.524 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.265 14.974 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.424 15.756 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.469 14.269 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.840 14.791 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.718 16.313 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.674 15.607 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.244 16.225 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.634 18.002 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.862 18.182 0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.341 17.584 0.272 1.00 0.00 H new