USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 480 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 17 MET CE :methyl -135:sc= -0.608 (180deg=-2.24) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 160:sc= -0.839 USER MOD Single : A 29 THR OG1 : rot 156:sc= 0.748 USER MOD Single : A 31 GLN : amide:sc= -2.21! K(o=-2.2!,f=-0.84) USER MOD Single : A 39 TYR OH : rot -50:sc= -4.76! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 72 MET CE :methyl 140:sc= -1.77 (180deg=-4.21!) USER MOD Single : A 74 GLN : amide:sc= -5.18! C(o=-5.2!,f=-4.8!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -3.808 13.667 9.394 1.00 0.00 N ATOM 108 CA ASP A 11 -2.991 13.259 8.264 1.00 0.00 C ATOM 109 C ASP A 11 -2.064 14.411 7.869 1.00 0.00 C ATOM 110 O ASP A 11 -2.341 15.569 8.178 1.00 0.00 O ATOM 111 CB ASP A 11 -3.859 12.915 7.052 1.00 0.00 C ATOM 112 CG ASP A 11 -5.096 13.797 6.872 1.00 0.00 C ATOM 113 OD1 ASP A 11 -4.922 15.035 6.914 1.00 0.00 O ATOM 114 OD2 ASP A 11 -6.188 13.215 6.695 1.00 0.00 O ATOM 0 HA ASP A 11 -2.421 12.379 8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.246 12.986 6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.181 11.877 7.137 1.00 0.00 H new ATOM 119 N ASP A 12 -0.984 14.052 7.192 1.00 0.00 N ATOM 120 CA ASP A 12 -0.014 15.042 6.751 1.00 0.00 C ATOM 121 C ASP A 12 -0.024 15.114 5.224 1.00 0.00 C ATOM 122 O ASP A 12 -0.831 14.452 4.572 1.00 0.00 O ATOM 123 CB ASP A 12 1.400 14.664 7.198 1.00 0.00 C ATOM 124 CG ASP A 12 1.857 15.305 8.509 1.00 0.00 C ATOM 125 OD1 ASP A 12 1.014 15.986 9.132 1.00 0.00 O ATOM 126 OD2 ASP A 12 3.039 15.100 8.859 1.00 0.00 O ATOM 0 H ASP A 12 -0.758 13.090 6.938 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.287 16.001 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.454 13.580 7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.100 14.943 6.411 1.00 0.00 H new ATOM 131 N GLU A 13 0.882 15.924 4.695 1.00 0.00 N ATOM 132 CA GLU A 13 0.988 16.091 3.256 1.00 0.00 C ATOM 133 C GLU A 13 1.543 14.820 2.613 1.00 0.00 C ATOM 134 O GLU A 13 1.299 14.556 1.437 1.00 0.00 O ATOM 135 CB GLU A 13 1.851 17.305 2.907 1.00 0.00 C ATOM 136 CG GLU A 13 1.012 18.584 2.874 1.00 0.00 C ATOM 137 CD GLU A 13 0.773 19.045 1.434 1.00 0.00 C ATOM 138 OE1 GLU A 13 -0.237 18.591 0.853 1.00 0.00 O ATOM 139 OE2 GLU A 13 1.604 19.842 0.948 1.00 0.00 O ATOM 0 H GLU A 13 1.549 16.472 5.238 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.010 16.270 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.651 17.410 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.325 17.152 1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.056 18.409 3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.519 19.371 3.432 1.00 0.00 H new ATOM 146 N VAL A 14 2.281 14.064 3.413 1.00 0.00 N ATOM 147 CA VAL A 14 2.874 12.826 2.937 1.00 0.00 C ATOM 148 C VAL A 14 1.777 11.776 2.759 1.00 0.00 C ATOM 149 O VAL A 14 1.762 11.052 1.764 1.00 0.00 O ATOM 150 CB VAL A 14 3.983 12.377 3.890 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.402 11.918 5.229 1.00 0.00 C ATOM 152 CG2 VAL A 14 4.837 11.276 3.257 1.00 0.00 C ATOM 0 H VAL A 14 2.482 14.285 4.388 1.00 0.00 H new ATOM 0 HA VAL A 14 3.341 12.976 1.964 1.00 0.00 H new ATOM 0 HB VAL A 14 4.629 13.234 4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.211 11.604 5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.857 12.741 5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.723 11.081 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.618 10.975 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.208 10.417 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.294 11.651 2.341 1.00 0.00 H new ATOM 162 N VAL A 15 0.884 11.726 3.737 1.00 0.00 N ATOM 163 CA VAL A 15 -0.215 10.777 3.700 1.00 0.00 C ATOM 164 C VAL A 15 -1.111 11.087 2.500 1.00 0.00 C ATOM 165 O VAL A 15 -1.389 10.208 1.685 1.00 0.00 O ATOM 166 CB VAL A 15 -0.969 10.797 5.031 1.00 0.00 C ATOM 167 CG1 VAL A 15 -2.340 10.133 4.894 1.00 0.00 C ATOM 168 CG2 VAL A 15 -0.146 10.135 6.137 1.00 0.00 C ATOM 0 H VAL A 15 0.900 12.328 4.560 1.00 0.00 H new ATOM 0 HA VAL A 15 0.161 9.762 3.571 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.128 11.838 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.855 10.161 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.930 10.668 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.213 9.097 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.705 10.163 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.059 9.099 5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.795 10.671 6.261 1.00 0.00 H new ATOM 178 N ALA A 16 -1.539 12.338 2.428 1.00 0.00 N ATOM 179 CA ALA A 16 -2.399 12.776 1.342 1.00 0.00 C ATOM 180 C ALA A 16 -1.749 12.408 0.005 1.00 0.00 C ATOM 181 O ALA A 16 -2.445 12.123 -0.968 1.00 0.00 O ATOM 182 CB ALA A 16 -2.661 14.277 1.469 1.00 0.00 C ATOM 0 H ALA A 16 -1.306 13.064 3.106 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.365 12.273 1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.306 14.604 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.149 14.482 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.715 14.817 1.422 1.00 0.00 H new ATOM 188 N MET A 17 -0.425 12.427 0.002 1.00 0.00 N ATOM 189 CA MET A 17 0.325 12.100 -1.198 1.00 0.00 C ATOM 190 C MET A 17 0.170 10.621 -1.556 1.00 0.00 C ATOM 191 O MET A 17 -0.248 10.288 -2.664 1.00 0.00 O ATOM 192 CB MET A 17 1.805 12.419 -0.978 1.00 0.00 C ATOM 193 CG MET A 17 2.415 13.073 -2.220 1.00 0.00 C ATOM 194 SD MET A 17 4.170 13.305 -1.988 1.00 0.00 S ATOM 195 CE MET A 17 4.154 14.401 -0.579 1.00 0.00 C ATOM 0 H MET A 17 0.148 12.664 0.812 1.00 0.00 H new ATOM 0 HA MET A 17 -0.066 12.697 -2.022 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.914 13.084 -0.122 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.347 11.503 -0.741 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.235 12.449 -3.095 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.935 14.033 -2.409 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.860 15.215 -0.743 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.152 14.810 -0.448 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.440 13.848 0.316 1.00 0.00 H new ATOM 205 N ILE A 18 0.514 9.773 -0.598 1.00 0.00 N ATOM 206 CA ILE A 18 0.417 8.337 -0.798 1.00 0.00 C ATOM 207 C ILE A 18 -1.042 7.960 -1.057 1.00 0.00 C ATOM 208 O ILE A 18 -1.338 7.210 -1.985 1.00 0.00 O ATOM 209 CB ILE A 18 1.047 7.589 0.379 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.515 7.982 0.556 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.873 6.077 0.223 1.00 0.00 C ATOM 212 CD1 ILE A 18 2.923 7.927 2.029 1.00 0.00 C ATOM 0 H ILE A 18 0.861 10.053 0.320 1.00 0.00 H new ATOM 0 HA ILE A 18 0.985 8.035 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 18 0.524 7.881 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.147 7.311 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.675 8.988 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.329 5.569 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.189 5.835 0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.355 5.748 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.971 8.211 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.305 8.617 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.784 6.914 2.407 1.00 0.00 H new ATOM 224 N LYS A 19 -1.917 8.497 -0.218 1.00 0.00 N ATOM 225 CA LYS A 19 -3.338 8.226 -0.345 1.00 0.00 C ATOM 226 C LYS A 19 -3.728 8.246 -1.824 1.00 0.00 C ATOM 227 O LYS A 19 -4.408 7.340 -2.303 1.00 0.00 O ATOM 228 CB LYS A 19 -4.148 9.197 0.518 1.00 0.00 C ATOM 229 CG LYS A 19 -4.411 8.610 1.906 1.00 0.00 C ATOM 230 CD LYS A 19 -5.667 9.222 2.531 1.00 0.00 C ATOM 231 CE LYS A 19 -5.988 8.562 3.873 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.234 9.123 4.441 1.00 0.00 N ATOM 0 H LYS A 19 -1.668 9.118 0.552 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.570 7.230 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.609 10.140 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.096 9.420 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.527 7.529 1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.552 8.794 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.522 10.293 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.511 9.102 1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.095 7.485 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.163 8.717 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.438 8.664 5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.119 10.146 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.022 8.953 3.784 1.00 0.00 H new ATOM 246 N GLU A 20 -3.280 9.289 -2.507 1.00 0.00 N ATOM 247 CA GLU A 20 -3.572 9.439 -3.923 1.00 0.00 C ATOM 248 C GLU A 20 -2.974 8.274 -4.715 1.00 0.00 C ATOM 249 O GLU A 20 -3.699 7.526 -5.367 1.00 0.00 O ATOM 250 CB GLU A 20 -3.061 10.781 -4.450 1.00 0.00 C ATOM 251 CG GLU A 20 -4.214 11.642 -4.968 1.00 0.00 C ATOM 252 CD GLU A 20 -4.323 11.554 -6.491 1.00 0.00 C ATOM 253 OE1 GLU A 20 -3.434 12.127 -7.158 1.00 0.00 O ATOM 254 OE2 GLU A 20 -5.292 10.913 -6.955 1.00 0.00 O ATOM 0 H GLU A 20 -2.717 10.039 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.654 9.424 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.535 11.311 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.341 10.611 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.149 11.315 -4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.060 12.679 -4.670 1.00 0.00 H new ATOM 261 N LEU A 21 -1.657 8.160 -4.631 1.00 0.00 N ATOM 262 CA LEU A 21 -0.951 7.100 -5.332 1.00 0.00 C ATOM 263 C LEU A 21 -1.759 5.803 -5.230 1.00 0.00 C ATOM 264 O LEU A 21 -1.686 4.952 -6.115 1.00 0.00 O ATOM 265 CB LEU A 21 0.482 6.975 -4.813 1.00 0.00 C ATOM 266 CG LEU A 21 1.586 7.050 -5.868 1.00 0.00 C ATOM 267 CD1 LEU A 21 2.961 6.809 -5.242 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.308 6.087 -7.024 1.00 0.00 C ATOM 0 H LEU A 21 -1.060 8.784 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.860 7.338 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.652 7.764 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.575 6.026 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 21 1.592 8.058 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.728 6.868 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.153 7.566 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.984 5.821 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.109 6.161 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.258 5.067 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.359 6.346 -7.493 1.00 0.00 H new ATOM 280 N LEU A 22 -2.508 5.694 -4.144 1.00 0.00 N ATOM 281 CA LEU A 22 -3.327 4.516 -3.914 1.00 0.00 C ATOM 282 C LEU A 22 -4.668 4.685 -4.631 1.00 0.00 C ATOM 283 O LEU A 22 -5.128 3.774 -5.318 1.00 0.00 O ATOM 284 CB LEU A 22 -3.462 4.240 -2.415 1.00 0.00 C ATOM 285 CG LEU A 22 -2.221 3.672 -1.724 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.341 2.158 -1.539 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.947 4.058 -2.478 1.00 0.00 C ATOM 0 H LEU A 22 -2.565 6.403 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.848 3.632 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.737 5.170 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.287 3.543 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.152 4.114 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.446 1.780 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.215 1.934 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.448 1.680 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.080 3.641 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.992 3.664 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.860 5.144 -2.513 1.00 0.00 H new ATOM 299 N ASP A 23 -5.257 5.857 -4.448 1.00 0.00 N ATOM 300 CA ASP A 23 -6.535 6.158 -5.069 1.00 0.00 C ATOM 301 C ASP A 23 -6.367 6.180 -6.590 1.00 0.00 C ATOM 302 O ASP A 23 -7.155 5.573 -7.314 1.00 0.00 O ATOM 303 CB ASP A 23 -7.052 7.529 -4.631 1.00 0.00 C ATOM 304 CG ASP A 23 -8.430 7.519 -3.964 1.00 0.00 C ATOM 305 OD1 ASP A 23 -8.877 6.409 -3.604 1.00 0.00 O ATOM 306 OD2 ASP A 23 -9.003 8.621 -3.829 1.00 0.00 O ATOM 0 H ASP A 23 -4.872 6.610 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.246 5.390 -4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.333 7.967 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.092 8.181 -5.504 1.00 0.00 H new ATOM 311 N THR A 24 -5.334 6.885 -7.028 1.00 0.00 N ATOM 312 CA THR A 24 -5.052 6.994 -8.449 1.00 0.00 C ATOM 313 C THR A 24 -5.554 5.752 -9.189 1.00 0.00 C ATOM 314 O THR A 24 -6.704 5.705 -9.624 1.00 0.00 O ATOM 315 CB THR A 24 -3.551 7.235 -8.616 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.945 6.198 -7.850 1.00 0.00 O ATOM 317 CG2 THR A 24 -3.086 8.523 -7.932 1.00 0.00 C ATOM 0 H THR A 24 -4.683 7.386 -6.424 1.00 0.00 H new ATOM 0 HA THR A 24 -5.582 7.836 -8.894 1.00 0.00 H new ATOM 0 HB THR A 24 -3.306 7.278 -9.677 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.019 6.072 -8.145 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.013 8.647 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.613 9.374 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.300 8.466 -6.865 1.00 0.00 H new ATOM 325 N ARG A 25 -4.666 4.775 -9.310 1.00 0.00 N ATOM 326 CA ARG A 25 -5.004 3.537 -9.989 1.00 0.00 C ATOM 327 C ARG A 25 -4.187 2.377 -9.416 1.00 0.00 C ATOM 328 O ARG A 25 -3.557 1.629 -10.162 1.00 0.00 O ATOM 329 CB ARG A 25 -4.739 3.644 -11.493 1.00 0.00 C ATOM 330 CG ARG A 25 -5.930 4.276 -12.216 1.00 0.00 C ATOM 331 CD ARG A 25 -6.241 3.531 -13.516 1.00 0.00 C ATOM 332 NE ARG A 25 -5.876 4.370 -14.679 1.00 0.00 N ATOM 333 CZ ARG A 25 -6.455 5.542 -14.972 1.00 0.00 C ATOM 334 NH1 ARG A 25 -7.431 6.022 -14.189 1.00 0.00 N ATOM 335 NH2 ARG A 25 -6.060 6.235 -16.049 1.00 0.00 N ATOM 0 H ARG A 25 -3.713 4.817 -8.949 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.066 3.351 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.845 4.242 -11.667 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.544 2.653 -11.903 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.805 4.260 -11.566 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.714 5.322 -12.435 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.689 2.591 -13.547 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.301 3.280 -13.556 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.137 4.035 -15.297 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.733 5.495 -13.370 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.872 6.914 -14.412 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.318 5.870 -16.646 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.501 7.127 -16.271 1.00 0.00 H new ATOM 349 N ILE A 26 -4.226 2.264 -8.096 1.00 0.00 N ATOM 350 CA ILE A 26 -3.498 1.207 -7.415 1.00 0.00 C ATOM 351 C ILE A 26 -4.464 0.414 -6.533 1.00 0.00 C ATOM 352 O ILE A 26 -4.516 -0.812 -6.610 1.00 0.00 O ATOM 353 CB ILE A 26 -2.305 1.786 -6.652 1.00 0.00 C ATOM 354 CG1 ILE A 26 -1.351 2.517 -7.599 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.590 0.699 -5.845 1.00 0.00 C ATOM 356 CD1 ILE A 26 -0.007 2.792 -6.919 1.00 0.00 C ATOM 0 H ILE A 26 -4.750 2.886 -7.481 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.078 0.507 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.679 2.522 -5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.193 1.918 -8.496 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.800 3.457 -7.919 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.746 1.137 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.285 0.262 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.229 -0.077 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.652 3.312 -7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.166 3.412 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.450 1.848 -6.622 1.00 0.00 H new ATOM 368 N ARG A 27 -5.207 1.146 -5.716 1.00 0.00 N ATOM 369 CA ARG A 27 -6.170 0.527 -4.822 1.00 0.00 C ATOM 370 C ARG A 27 -7.327 -0.074 -5.621 1.00 0.00 C ATOM 371 O ARG A 27 -7.688 -1.233 -5.422 1.00 0.00 O ATOM 372 CB ARG A 27 -6.724 1.542 -3.820 1.00 0.00 C ATOM 373 CG ARG A 27 -8.224 1.334 -3.601 1.00 0.00 C ATOM 374 CD ARG A 27 -8.767 2.315 -2.561 1.00 0.00 C ATOM 375 NE ARG A 27 -9.381 1.574 -1.437 1.00 0.00 N ATOM 376 CZ ARG A 27 -9.850 2.151 -0.322 1.00 0.00 C ATOM 377 NH1 ARG A 27 -9.776 3.481 -0.174 1.00 0.00 N ATOM 378 NH2 ARG A 27 -10.390 1.399 0.646 1.00 0.00 N ATOM 0 H ARG A 27 -5.161 2.163 -5.655 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.654 -0.262 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.197 1.446 -2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.543 2.553 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.755 1.467 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.409 0.311 -3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.961 2.949 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.505 2.973 -3.020 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.452 0.560 -1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.363 4.054 -0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.133 3.920 0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.444 0.387 0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.747 1.839 1.494 1.00 0.00 H new ATOM 392 N PRO A 28 -7.892 0.763 -6.532 1.00 0.00 N ATOM 393 CA PRO A 28 -9.002 0.326 -7.362 1.00 0.00 C ATOM 394 C PRO A 28 -8.521 -0.611 -8.472 1.00 0.00 C ATOM 395 O PRO A 28 -9.322 -1.098 -9.268 1.00 0.00 O ATOM 396 CB PRO A 28 -9.622 1.608 -7.895 1.00 0.00 C ATOM 397 CG PRO A 28 -8.565 2.686 -7.723 1.00 0.00 C ATOM 398 CD PRO A 28 -7.492 2.142 -6.794 1.00 0.00 C ATOM 0 HA PRO A 28 -9.738 -0.257 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.902 1.500 -8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.530 1.860 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.134 2.956 -8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.007 3.591 -7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.507 2.187 -7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.437 2.720 -5.872 1.00 0.00 H new ATOM 406 N THR A 29 -7.214 -0.836 -8.487 1.00 0.00 N ATOM 407 CA THR A 29 -6.618 -1.706 -9.486 1.00 0.00 C ATOM 408 C THR A 29 -6.533 -3.141 -8.961 1.00 0.00 C ATOM 409 O THR A 29 -6.409 -4.085 -9.740 1.00 0.00 O ATOM 410 CB THR A 29 -5.259 -1.120 -9.872 1.00 0.00 C ATOM 411 OG1 THR A 29 -5.568 -0.161 -10.880 1.00 0.00 O ATOM 412 CG2 THR A 29 -4.364 -2.135 -10.586 1.00 0.00 C ATOM 0 H THR A 29 -6.553 -0.431 -7.824 1.00 0.00 H new ATOM 0 HA THR A 29 -7.234 -1.757 -10.384 1.00 0.00 H new ATOM 0 HB THR A 29 -4.754 -0.757 -8.977 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.861 0.516 -10.915 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.412 -1.667 -10.838 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.187 -2.988 -9.931 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.854 -2.474 -11.499 1.00 0.00 H new ATOM 420 N VAL A 30 -6.603 -3.260 -7.643 1.00 0.00 N ATOM 421 CA VAL A 30 -6.536 -4.563 -7.004 1.00 0.00 C ATOM 422 C VAL A 30 -7.948 -5.143 -6.889 1.00 0.00 C ATOM 423 O VAL A 30 -8.139 -6.351 -7.012 1.00 0.00 O ATOM 424 CB VAL A 30 -5.826 -4.448 -5.655 1.00 0.00 C ATOM 425 CG1 VAL A 30 -5.701 -5.817 -4.983 1.00 0.00 C ATOM 426 CG2 VAL A 30 -4.456 -3.786 -5.810 1.00 0.00 C ATOM 0 H VAL A 30 -6.705 -2.475 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.948 -5.255 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.433 -3.812 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.192 -5.707 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.695 -6.235 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.127 -6.486 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.973 -3.717 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.837 -4.383 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.580 -2.786 -6.225 1.00 0.00 H new ATOM 436 N GLN A 31 -8.901 -4.254 -6.655 1.00 0.00 N ATOM 437 CA GLN A 31 -10.290 -4.662 -6.522 1.00 0.00 C ATOM 438 C GLN A 31 -10.696 -5.552 -7.698 1.00 0.00 C ATOM 439 O GLN A 31 -11.311 -6.600 -7.505 1.00 0.00 O ATOM 440 CB GLN A 31 -11.212 -3.445 -6.411 1.00 0.00 C ATOM 441 CG GLN A 31 -11.230 -2.901 -4.981 1.00 0.00 C ATOM 442 CD GLN A 31 -11.424 -1.383 -4.975 1.00 0.00 C ATOM 443 OE1 GLN A 31 -12.497 -0.868 -5.245 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.330 -0.700 -4.653 1.00 0.00 N ATOM 0 H GLN A 31 -8.739 -3.252 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.392 -5.238 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.877 -2.666 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.223 -3.721 -6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.033 -3.376 -4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.296 -3.154 -4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.464 -1.195 -4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.356 0.319 -4.621 1.00 0.00 H new ATOM 453 N GLU A 32 -10.335 -5.102 -8.891 1.00 0.00 N ATOM 454 CA GLU A 32 -10.655 -5.844 -10.099 1.00 0.00 C ATOM 455 C GLU A 32 -10.136 -7.280 -9.992 1.00 0.00 C ATOM 456 O GLU A 32 -10.625 -8.173 -10.682 1.00 0.00 O ATOM 457 CB GLU A 32 -10.088 -5.148 -11.337 1.00 0.00 C ATOM 458 CG GLU A 32 -11.106 -4.170 -11.930 1.00 0.00 C ATOM 459 CD GLU A 32 -10.477 -3.334 -13.046 1.00 0.00 C ATOM 460 OE1 GLU A 32 -9.752 -3.937 -13.867 1.00 0.00 O ATOM 461 OE2 GLU A 32 -10.734 -2.110 -13.053 1.00 0.00 O ATOM 0 H GLU A 32 -9.824 -4.233 -9.047 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.739 -5.876 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.176 -4.613 -11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.815 -5.893 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.960 -4.722 -12.322 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.483 -3.513 -11.147 1.00 0.00 H new ATOM 468 N ASP A 33 -9.153 -7.457 -9.121 1.00 0.00 N ATOM 469 CA ASP A 33 -8.563 -8.768 -8.916 1.00 0.00 C ATOM 470 C ASP A 33 -9.390 -9.539 -7.885 1.00 0.00 C ATOM 471 O ASP A 33 -9.843 -10.651 -8.152 1.00 0.00 O ATOM 472 CB ASP A 33 -7.133 -8.652 -8.382 1.00 0.00 C ATOM 473 CG ASP A 33 -6.175 -9.747 -8.856 1.00 0.00 C ATOM 474 OD1 ASP A 33 -6.655 -10.648 -9.577 1.00 0.00 O ATOM 475 OD2 ASP A 33 -4.985 -9.658 -8.485 1.00 0.00 O ATOM 0 H ASP A 33 -8.751 -6.714 -8.550 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.549 -9.285 -9.876 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.729 -7.684 -8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.166 -8.665 -7.293 1.00 0.00 H new ATOM 480 N GLY A 34 -9.562 -8.917 -6.727 1.00 0.00 N ATOM 481 CA GLY A 34 -10.327 -9.532 -5.655 1.00 0.00 C ATOM 482 C GLY A 34 -10.058 -8.833 -4.320 1.00 0.00 C ATOM 483 O GLY A 34 -10.988 -8.376 -3.656 1.00 0.00 O ATOM 0 H GLY A 34 -9.185 -7.995 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.391 -9.483 -5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.066 -10.587 -5.576 1.00 0.00 H new ATOM 487 N GLY A 35 -8.783 -8.771 -3.968 1.00 0.00 N ATOM 488 CA GLY A 35 -8.380 -8.136 -2.725 1.00 0.00 C ATOM 489 C GLY A 35 -8.522 -6.615 -2.814 1.00 0.00 C ATOM 490 O GLY A 35 -9.253 -6.105 -3.663 1.00 0.00 O ATOM 0 H GLY A 35 -8.015 -9.150 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.990 -8.514 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.346 -8.395 -2.499 1.00 0.00 H new ATOM 494 N ASP A 36 -7.812 -5.933 -1.928 1.00 0.00 N ATOM 495 CA ASP A 36 -7.849 -4.480 -1.897 1.00 0.00 C ATOM 496 C ASP A 36 -6.711 -3.964 -1.016 1.00 0.00 C ATOM 497 O ASP A 36 -6.374 -4.580 -0.006 1.00 0.00 O ATOM 498 CB ASP A 36 -9.168 -3.977 -1.309 1.00 0.00 C ATOM 499 CG ASP A 36 -9.292 -2.455 -1.206 1.00 0.00 C ATOM 500 OD1 ASP A 36 -8.677 -1.777 -2.058 1.00 0.00 O ATOM 501 OD2 ASP A 36 -9.996 -2.004 -0.276 1.00 0.00 O ATOM 0 H ASP A 36 -7.207 -6.359 -1.226 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.748 -4.117 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.988 -4.353 -1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.291 -4.405 -0.314 1.00 0.00 H new ATOM 506 N VAL A 37 -6.148 -2.837 -1.430 1.00 0.00 N ATOM 507 CA VAL A 37 -5.054 -2.231 -0.692 1.00 0.00 C ATOM 508 C VAL A 37 -5.605 -1.127 0.213 1.00 0.00 C ATOM 509 O VAL A 37 -6.411 -0.306 -0.224 1.00 0.00 O ATOM 510 CB VAL A 37 -3.982 -1.730 -1.661 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.368 -0.371 -2.250 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.614 -1.663 -0.979 1.00 0.00 C ATOM 0 H VAL A 37 -6.430 -2.328 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.573 -2.968 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.912 -2.444 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.589 -0.037 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.311 -0.463 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.479 0.356 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.870 -1.304 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.664 -0.981 -0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.332 -2.656 -0.630 1.00 0.00 H new ATOM 522 N ILE A 38 -5.150 -1.143 1.457 1.00 0.00 N ATOM 523 CA ILE A 38 -5.588 -0.153 2.427 1.00 0.00 C ATOM 524 C ILE A 38 -4.380 0.343 3.224 1.00 0.00 C ATOM 525 O ILE A 38 -3.884 -0.356 4.107 1.00 0.00 O ATOM 526 CB ILE A 38 -6.711 -0.718 3.300 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.558 -1.726 2.519 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.562 0.406 3.894 1.00 0.00 C ATOM 529 CD1 ILE A 38 -6.944 -3.126 2.589 1.00 0.00 C ATOM 0 H ILE A 38 -4.483 -1.826 1.816 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.014 0.713 1.921 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.258 -1.254 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.570 -1.748 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.638 -1.411 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.353 -0.023 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.934 1.052 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.006 0.990 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.564 -3.824 2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.942 -3.105 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.888 -3.447 3.629 1.00 0.00 H new ATOM 541 N TYR A 39 -3.940 1.546 2.884 1.00 0.00 N ATOM 542 CA TYR A 39 -2.800 2.143 3.557 1.00 0.00 C ATOM 543 C TYR A 39 -3.151 2.524 4.997 1.00 0.00 C ATOM 544 O TYR A 39 -3.816 3.532 5.231 1.00 0.00 O ATOM 545 CB TYR A 39 -2.464 3.413 2.773 1.00 0.00 C ATOM 546 CG TYR A 39 -1.678 4.451 3.575 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.857 4.047 4.609 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.788 5.791 3.266 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.117 5.023 5.364 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.046 6.768 4.021 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.247 6.335 5.034 1.00 0.00 C ATOM 552 OH TYR A 39 0.452 7.258 5.746 1.00 0.00 O ATOM 0 H TYR A 39 -4.353 2.123 2.151 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.966 1.442 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.888 3.140 1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.391 3.866 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.770 2.998 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.431 6.108 2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.528 4.720 6.175 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.122 7.820 3.788 1.00 0.00 H new ATOM 0 HH TYR A 39 0.310 7.108 6.704 1.00 0.00 H new ATOM 562 N ARG A 40 -2.686 1.699 5.923 1.00 0.00 N ATOM 563 CA ARG A 40 -2.943 1.937 7.334 1.00 0.00 C ATOM 564 C ARG A 40 -1.635 1.879 8.128 1.00 0.00 C ATOM 565 O ARG A 40 -1.222 0.809 8.572 1.00 0.00 O ATOM 566 CB ARG A 40 -3.920 0.905 7.898 1.00 0.00 C ATOM 567 CG ARG A 40 -5.064 0.640 6.917 1.00 0.00 C ATOM 568 CD ARG A 40 -6.162 1.697 7.057 1.00 0.00 C ATOM 569 NE ARG A 40 -6.061 2.680 5.954 1.00 0.00 N ATOM 570 CZ ARG A 40 -6.627 3.894 5.977 1.00 0.00 C ATOM 571 NH1 ARG A 40 -7.337 4.283 7.044 1.00 0.00 N ATOM 572 NH2 ARG A 40 -6.483 4.720 4.932 1.00 0.00 N ATOM 0 H ARG A 40 -2.133 0.865 5.725 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.386 2.928 7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.392 -0.025 8.106 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.324 1.261 8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.681 0.642 5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.482 -0.350 7.099 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.142 1.220 7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.070 2.204 8.017 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.528 2.416 5.126 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.447 3.655 7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.768 5.208 7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.942 4.424 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.914 5.644 4.949 1.00 0.00 H new ATOM 586 N GLY A 41 -1.023 3.044 8.283 1.00 0.00 N ATOM 587 CA GLY A 41 0.228 3.139 9.016 1.00 0.00 C ATOM 588 C GLY A 41 1.389 3.476 8.079 1.00 0.00 C ATOM 589 O GLY A 41 1.494 2.916 6.988 1.00 0.00 O ATOM 0 H GLY A 41 -1.370 3.929 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.144 3.905 9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.428 2.196 9.524 1.00 0.00 H new ATOM 593 N PHE A 42 2.231 4.390 8.536 1.00 0.00 N ATOM 594 CA PHE A 42 3.381 4.809 7.752 1.00 0.00 C ATOM 595 C PHE A 42 4.591 5.071 8.650 1.00 0.00 C ATOM 596 O PHE A 42 4.628 6.064 9.375 1.00 0.00 O ATOM 597 CB PHE A 42 2.992 6.111 7.049 1.00 0.00 C ATOM 598 CG PHE A 42 4.036 6.615 6.051 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.380 5.849 4.981 1.00 0.00 C ATOM 600 CD2 PHE A 42 4.621 7.829 6.234 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.350 6.317 4.055 1.00 0.00 C ATOM 602 CE2 PHE A 42 5.590 8.297 5.308 1.00 0.00 C ATOM 603 CZ PHE A 42 5.934 7.532 4.238 1.00 0.00 C ATOM 0 H PHE A 42 2.140 4.853 9.440 1.00 0.00 H new ATOM 0 HA PHE A 42 3.652 4.028 7.042 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.047 5.961 6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.822 6.881 7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.916 4.885 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.348 8.437 7.084 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.624 5.708 3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.054 9.261 5.454 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.671 7.889 3.533 1.00 0.00 H new ATOM 613 N GLU A 43 5.553 4.162 8.573 1.00 0.00 N ATOM 614 CA GLU A 43 6.763 4.283 9.369 1.00 0.00 C ATOM 615 C GLU A 43 7.994 3.974 8.515 1.00 0.00 C ATOM 616 O GLU A 43 7.921 3.177 7.580 1.00 0.00 O ATOM 617 CB GLU A 43 6.704 3.370 10.597 1.00 0.00 C ATOM 618 CG GLU A 43 6.744 1.897 10.187 1.00 0.00 C ATOM 619 CD GLU A 43 6.795 0.987 11.416 1.00 0.00 C ATOM 620 OE1 GLU A 43 7.741 1.163 12.213 1.00 0.00 O ATOM 621 OE2 GLU A 43 5.886 0.136 11.529 1.00 0.00 O ATOM 0 H GLU A 43 5.519 3.339 7.972 1.00 0.00 H new ATOM 0 HA GLU A 43 6.840 5.311 9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.542 3.590 11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.792 3.570 11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.864 1.658 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.616 1.714 9.558 1.00 0.00 H new ATOM 628 N ASP A 44 9.095 4.621 8.867 1.00 0.00 N ATOM 629 CA ASP A 44 10.341 4.425 8.143 1.00 0.00 C ATOM 630 C ASP A 44 10.044 4.313 6.647 1.00 0.00 C ATOM 631 O ASP A 44 10.762 3.629 5.918 1.00 0.00 O ATOM 632 CB ASP A 44 11.038 3.138 8.586 1.00 0.00 C ATOM 633 CG ASP A 44 11.904 3.268 9.840 1.00 0.00 C ATOM 634 OD1 ASP A 44 11.989 4.405 10.355 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.462 2.231 10.255 1.00 0.00 O ATOM 0 H ASP A 44 9.151 5.281 9.643 1.00 0.00 H new ATOM 0 HA ASP A 44 10.990 5.276 8.351 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.280 2.375 8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.663 2.781 7.767 1.00 0.00 H new ATOM 640 N GLY A 45 8.987 4.995 6.233 1.00 0.00 N ATOM 641 CA GLY A 45 8.587 4.980 4.836 1.00 0.00 C ATOM 642 C GLY A 45 7.689 3.777 4.535 1.00 0.00 C ATOM 643 O GLY A 45 6.690 3.904 3.829 1.00 0.00 O ATOM 0 H GLY A 45 8.395 5.562 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.058 5.902 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.472 4.945 4.201 1.00 0.00 H new ATOM 647 N ILE A 46 8.078 2.637 5.087 1.00 0.00 N ATOM 648 CA ILE A 46 7.321 1.413 4.886 1.00 0.00 C ATOM 649 C ILE A 46 5.825 1.722 4.977 1.00 0.00 C ATOM 650 O ILE A 46 5.283 1.871 6.071 1.00 0.00 O ATOM 651 CB ILE A 46 7.784 0.330 5.863 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.135 -0.251 5.437 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.720 -0.755 6.025 1.00 0.00 C ATOM 654 CD1 ILE A 46 10.291 0.556 6.032 1.00 0.00 C ATOM 0 H ILE A 46 8.907 2.535 5.673 1.00 0.00 H new ATOM 0 HA ILE A 46 7.505 1.012 3.889 1.00 0.00 H new ATOM 0 HB ILE A 46 7.924 0.790 6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.207 -1.289 5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.208 -0.251 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.075 -1.512 6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.802 -0.310 6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.523 -1.219 5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.239 0.122 5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.230 1.588 5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.228 0.533 7.120 1.00 0.00 H new ATOM 666 N VAL A 47 5.201 1.811 3.812 1.00 0.00 N ATOM 667 CA VAL A 47 3.778 2.100 3.746 1.00 0.00 C ATOM 668 C VAL A 47 2.989 0.832 4.077 1.00 0.00 C ATOM 669 O VAL A 47 2.988 -0.123 3.302 1.00 0.00 O ATOM 670 CB VAL A 47 3.426 2.684 2.375 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.920 2.925 2.253 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.212 3.969 2.108 1.00 0.00 C ATOM 0 H VAL A 47 5.654 1.688 2.906 1.00 0.00 H new ATOM 0 HA VAL A 47 3.506 2.854 4.485 1.00 0.00 H new ATOM 0 HB VAL A 47 3.711 1.955 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.696 3.340 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.389 1.981 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.600 3.626 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.943 4.363 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.973 4.707 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.280 3.754 2.132 1.00 0.00 H new ATOM 682 N ARG A 48 2.336 0.864 5.229 1.00 0.00 N ATOM 683 CA ARG A 48 1.543 -0.270 5.672 1.00 0.00 C ATOM 684 C ARG A 48 0.286 -0.409 4.811 1.00 0.00 C ATOM 685 O ARG A 48 -0.634 0.402 4.915 1.00 0.00 O ATOM 686 CB ARG A 48 1.135 -0.118 7.139 1.00 0.00 C ATOM 687 CG ARG A 48 2.365 -0.057 8.046 1.00 0.00 C ATOM 688 CD ARG A 48 1.962 -0.129 9.521 1.00 0.00 C ATOM 689 NE ARG A 48 2.707 -1.213 10.197 1.00 0.00 N ATOM 690 CZ ARG A 48 2.407 -1.685 11.416 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.376 -1.168 12.098 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.138 -2.672 11.952 1.00 0.00 N ATOM 0 H ARG A 48 2.340 1.658 5.870 1.00 0.00 H new ATOM 0 HA ARG A 48 2.158 -1.164 5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.542 0.788 7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.503 -0.956 7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.038 -0.881 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.913 0.866 7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.167 0.824 10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.890 -0.306 9.605 1.00 0.00 H new ATOM 0 HE ARG A 48 3.499 -1.628 9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.820 -0.416 11.690 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.147 -1.526 13.025 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.923 -3.065 11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.909 -3.030 12.879 1.00 0.00 H new ATOM 706 N LEU A 49 0.286 -1.440 3.981 1.00 0.00 N ATOM 707 CA LEU A 49 -0.843 -1.695 3.103 1.00 0.00 C ATOM 708 C LEU A 49 -1.386 -3.100 3.370 1.00 0.00 C ATOM 709 O LEU A 49 -0.617 -4.030 3.610 1.00 0.00 O ATOM 710 CB LEU A 49 -0.452 -1.455 1.643 1.00 0.00 C ATOM 711 CG LEU A 49 0.386 -0.203 1.370 1.00 0.00 C ATOM 712 CD1 LEU A 49 1.404 -0.458 0.257 1.00 0.00 C ATOM 713 CD2 LEU A 49 -0.507 0.999 1.065 1.00 0.00 C ATOM 0 H LEU A 49 1.051 -2.110 3.897 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.652 -0.995 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.103 -2.324 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.364 -1.395 1.049 1.00 0.00 H new ATOM 0 HG LEU A 49 0.948 0.036 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.986 0.447 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.071 -1.268 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.881 -0.735 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.114 1.875 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.114 0.787 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.158 1.194 1.917 1.00 0.00 H new ATOM 725 N LYS A 50 -2.705 -3.211 3.321 1.00 0.00 N ATOM 726 CA LYS A 50 -3.358 -4.486 3.556 1.00 0.00 C ATOM 727 C LYS A 50 -3.928 -5.012 2.236 1.00 0.00 C ATOM 728 O LYS A 50 -5.144 -5.063 2.057 1.00 0.00 O ATOM 729 CB LYS A 50 -4.401 -4.358 4.668 1.00 0.00 C ATOM 730 CG LYS A 50 -5.155 -5.674 4.867 1.00 0.00 C ATOM 731 CD LYS A 50 -6.084 -5.596 6.081 1.00 0.00 C ATOM 732 CE LYS A 50 -7.437 -4.993 5.696 1.00 0.00 C ATOM 733 NZ LYS A 50 -8.515 -5.561 6.535 1.00 0.00 N ATOM 0 H LYS A 50 -3.339 -2.438 3.122 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.638 -5.223 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.912 -4.071 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.106 -3.565 4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.736 -5.903 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.443 -6.488 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.231 -6.593 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.620 -4.991 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.407 -3.910 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.644 -5.191 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.426 -5.141 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.554 -6.591 6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.324 -5.350 7.535 1.00 0.00 H new ATOM 747 N LEU A 51 -3.023 -5.391 1.347 1.00 0.00 N ATOM 748 CA LEU A 51 -3.420 -5.911 0.049 1.00 0.00 C ATOM 749 C LEU A 51 -3.336 -7.439 0.071 1.00 0.00 C ATOM 750 O LEU A 51 -2.458 -8.008 0.717 1.00 0.00 O ATOM 751 CB LEU A 51 -2.591 -5.266 -1.063 1.00 0.00 C ATOM 752 CG LEU A 51 -1.575 -6.175 -1.756 1.00 0.00 C ATOM 753 CD1 LEU A 51 -0.647 -6.838 -0.736 1.00 0.00 C ATOM 754 CD2 LEU A 51 -2.275 -7.203 -2.647 1.00 0.00 C ATOM 0 H LEU A 51 -2.015 -5.349 1.499 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.456 -5.650 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.274 -4.876 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.058 -4.413 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.953 -5.558 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.066 -7.479 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.108 -6.070 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.237 -7.438 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.529 -7.836 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.937 -7.820 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.858 -6.687 -3.410 1.00 0.00 H new ATOM 988 N GLY A 68 7.188 -4.689 -7.694 1.00 0.00 N ATOM 989 CA GLY A 68 6.900 -3.760 -8.774 1.00 0.00 C ATOM 990 C GLY A 68 6.243 -2.485 -8.239 1.00 0.00 C ATOM 991 O GLY A 68 6.356 -1.422 -8.848 1.00 0.00 O ATOM 0 HA2 GLY A 68 7.822 -3.507 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.242 -4.235 -9.502 1.00 0.00 H new ATOM 995 N ILE A 69 5.571 -2.633 -7.107 1.00 0.00 N ATOM 996 CA ILE A 69 4.896 -1.507 -6.485 1.00 0.00 C ATOM 997 C ILE A 69 5.890 -0.745 -5.607 1.00 0.00 C ATOM 998 O ILE A 69 5.961 0.482 -5.666 1.00 0.00 O ATOM 999 CB ILE A 69 3.650 -1.979 -5.733 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.590 -2.505 -6.704 1.00 0.00 C ATOM 1001 CG2 ILE A 69 3.101 -0.872 -4.831 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.679 -3.527 -6.021 1.00 0.00 C ATOM 0 H ILE A 69 5.480 -3.516 -6.604 1.00 0.00 H new ATOM 0 HA ILE A 69 4.539 -0.810 -7.243 1.00 0.00 H new ATOM 0 HB ILE A 69 3.936 -2.809 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.993 -1.675 -7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.076 -2.964 -7.565 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.216 -1.234 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.860 -0.586 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.835 -0.006 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.935 -3.885 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.276 -4.367 -5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.176 -3.058 -5.175 1.00 0.00 H new ATOM 1014 N GLN A 70 6.634 -1.502 -4.814 1.00 0.00 N ATOM 1015 CA GLN A 70 7.621 -0.912 -3.926 1.00 0.00 C ATOM 1016 C GLN A 70 8.488 0.092 -4.688 1.00 0.00 C ATOM 1017 O GLN A 70 8.750 1.189 -4.198 1.00 0.00 O ATOM 1018 CB GLN A 70 8.482 -1.992 -3.269 1.00 0.00 C ATOM 1019 CG GLN A 70 9.560 -1.369 -2.379 1.00 0.00 C ATOM 1020 CD GLN A 70 10.797 -2.267 -2.305 1.00 0.00 C ATOM 1021 OE1 GLN A 70 11.033 -2.961 -1.330 1.00 0.00 O ATOM 1022 NE2 GLN A 70 11.569 -2.214 -3.386 1.00 0.00 N ATOM 0 H GLN A 70 6.573 -2.519 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 70 7.096 -0.380 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.851 -2.653 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.951 -2.606 -4.038 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.839 -0.391 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.162 -1.209 -1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.312 -1.611 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.418 -2.777 -3.434 1.00 0.00 H new ATOM 1031 N ASN A 71 8.909 -0.320 -5.875 1.00 0.00 N ATOM 1032 CA ASN A 71 9.742 0.530 -6.710 1.00 0.00 C ATOM 1033 C ASN A 71 8.902 1.694 -7.242 1.00 0.00 C ATOM 1034 O ASN A 71 9.379 2.825 -7.316 1.00 0.00 O ATOM 1035 CB ASN A 71 10.291 -0.244 -7.910 1.00 0.00 C ATOM 1036 CG ASN A 71 11.693 0.244 -8.282 1.00 0.00 C ATOM 1037 OD1 ASN A 71 12.659 0.040 -7.566 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.749 0.898 -9.438 1.00 0.00 N ATOM 0 H ASN A 71 8.689 -1.231 -6.278 1.00 0.00 H new ATOM 0 HA ASN A 71 10.573 0.890 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.322 -1.308 -7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.622 -0.123 -8.762 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.640 1.264 -9.774 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.901 1.034 -9.989 1.00 0.00 H new ATOM 1045 N MET A 72 7.667 1.375 -7.599 1.00 0.00 N ATOM 1046 CA MET A 72 6.758 2.379 -8.123 1.00 0.00 C ATOM 1047 C MET A 72 6.447 3.443 -7.067 1.00 0.00 C ATOM 1048 O MET A 72 6.508 4.638 -7.348 1.00 0.00 O ATOM 1049 CB MET A 72 5.457 1.708 -8.569 1.00 0.00 C ATOM 1050 CG MET A 72 4.385 2.751 -8.895 1.00 0.00 C ATOM 1051 SD MET A 72 3.033 2.618 -7.737 1.00 0.00 S ATOM 1052 CE MET A 72 2.185 1.199 -8.412 1.00 0.00 C ATOM 0 H MET A 72 7.275 0.436 -7.536 1.00 0.00 H new ATOM 0 HA MET A 72 7.236 2.866 -8.973 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.645 1.089 -9.446 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.097 1.045 -7.782 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.815 3.752 -8.852 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.020 2.604 -9.912 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.837 0.562 -7.599 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.331 1.532 -9.002 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.868 0.635 -9.048 1.00 0.00 H new ATOM 1062 N LEU A 73 6.122 2.967 -5.874 1.00 0.00 N ATOM 1063 CA LEU A 73 5.803 3.862 -4.774 1.00 0.00 C ATOM 1064 C LEU A 73 6.977 4.814 -4.538 1.00 0.00 C ATOM 1065 O LEU A 73 6.852 6.021 -4.740 1.00 0.00 O ATOM 1066 CB LEU A 73 5.401 3.063 -3.533 1.00 0.00 C ATOM 1067 CG LEU A 73 3.899 2.963 -3.257 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.626 2.116 -2.013 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.265 4.351 -3.157 1.00 0.00 C ATOM 0 H LEU A 73 6.073 1.974 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 73 4.939 4.478 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.800 2.053 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.881 3.513 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 73 3.430 2.457 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.551 2.061 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.021 1.111 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.110 2.571 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.198 4.250 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.733 4.907 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.412 4.887 -4.095 1.00 0.00 H new ATOM 1081 N GLN A 74 8.092 4.234 -4.116 1.00 0.00 N ATOM 1082 CA GLN A 74 9.287 5.017 -3.851 1.00 0.00 C ATOM 1083 C GLN A 74 9.559 5.979 -5.008 1.00 0.00 C ATOM 1084 O GLN A 74 9.757 7.174 -4.793 1.00 0.00 O ATOM 1085 CB GLN A 74 10.491 4.107 -3.600 1.00 0.00 C ATOM 1086 CG GLN A 74 10.606 3.745 -2.117 1.00 0.00 C ATOM 1087 CD GLN A 74 10.494 2.233 -1.913 1.00 0.00 C ATOM 1088 OE1 GLN A 74 11.458 1.492 -2.027 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.270 1.817 -1.605 1.00 0.00 N ATOM 0 H GLN A 74 8.192 3.232 -3.951 1.00 0.00 H new ATOM 0 HA GLN A 74 9.121 5.605 -2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.394 3.198 -4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.403 4.606 -3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.560 4.099 -1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.822 4.251 -1.553 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.508 2.490 -1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.093 0.825 -1.448 1.00 0.00 H new ATOM 1098 N PHE A 75 9.560 5.423 -6.211 1.00 0.00 N ATOM 1099 CA PHE A 75 9.805 6.218 -7.402 1.00 0.00 C ATOM 1100 C PHE A 75 8.989 7.513 -7.374 1.00 0.00 C ATOM 1101 O PHE A 75 9.544 8.603 -7.503 1.00 0.00 O ATOM 1102 CB PHE A 75 9.362 5.375 -8.600 1.00 0.00 C ATOM 1103 CG PHE A 75 9.072 6.192 -9.862 1.00 0.00 C ATOM 1104 CD1 PHE A 75 7.820 6.672 -10.088 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.066 6.436 -10.756 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.551 7.430 -11.259 1.00 0.00 C ATOM 1107 CE2 PHE A 75 9.797 7.194 -11.927 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.545 7.674 -12.154 1.00 0.00 C ATOM 0 H PHE A 75 9.395 4.432 -6.386 1.00 0.00 H new ATOM 0 HA PHE A 75 10.860 6.486 -7.461 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.138 4.643 -8.824 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.467 4.816 -8.327 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.030 6.477 -9.377 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.060 6.054 -10.576 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.557 7.812 -11.438 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.587 7.389 -12.637 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.340 8.249 -13.045 1.00 0.00 H new ATOM 1118 N TYR A 76 7.685 7.349 -7.208 1.00 0.00 N ATOM 1119 CA TYR A 76 6.789 8.491 -7.161 1.00 0.00 C ATOM 1120 C TYR A 76 7.054 9.347 -5.921 1.00 0.00 C ATOM 1121 O TYR A 76 7.313 10.544 -6.031 1.00 0.00 O ATOM 1122 CB TYR A 76 5.375 7.914 -7.074 1.00 0.00 C ATOM 1123 CG TYR A 76 4.796 7.480 -8.423 1.00 0.00 C ATOM 1124 CD1 TYR A 76 4.660 8.400 -9.443 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.410 6.170 -8.619 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.115 7.993 -10.712 1.00 0.00 C ATOM 1127 CE2 TYR A 76 3.865 5.763 -9.888 1.00 0.00 C ATOM 1128 CZ TYR A 76 3.745 6.694 -10.872 1.00 0.00 C ATOM 1129 OH TYR A 76 3.230 6.309 -12.071 1.00 0.00 O ATOM 0 H TYR A 76 7.228 6.443 -7.104 1.00 0.00 H new ATOM 0 HA TYR A 76 6.930 9.124 -8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.384 7.056 -6.401 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.716 8.660 -6.630 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.962 9.425 -9.289 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.517 5.450 -7.821 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.003 8.703 -11.518 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.558 4.741 -10.055 1.00 0.00 H new ATOM 0 HH TYR A 76 3.011 5.354 -12.042 1.00 0.00 H new ATOM 1139 N ILE A 77 6.979 8.699 -4.767 1.00 0.00 N ATOM 1140 CA ILE A 77 7.207 9.386 -3.508 1.00 0.00 C ATOM 1141 C ILE A 77 8.511 8.880 -2.884 1.00 0.00 C ATOM 1142 O ILE A 77 8.637 7.696 -2.577 1.00 0.00 O ATOM 1143 CB ILE A 77 5.992 9.242 -2.590 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.792 10.016 -3.142 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.333 9.658 -1.158 1.00 0.00 C ATOM 1146 CD1 ILE A 77 3.517 9.678 -2.367 1.00 0.00 C ATOM 0 H ILE A 77 6.764 7.706 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 77 7.326 10.456 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 77 5.710 8.189 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.986 11.087 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.655 9.777 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.451 9.546 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.135 9.026 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.656 10.699 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.680 10.241 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.312 8.611 -2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.649 9.941 -1.317 1.00 0.00 H new ATOM 1158 N PRO A 78 9.471 9.827 -2.714 1.00 0.00 N ATOM 1159 CA PRO A 78 10.760 9.491 -2.134 1.00 0.00 C ATOM 1160 C PRO A 78 10.644 9.285 -0.622 1.00 0.00 C ATOM 1161 O PRO A 78 11.613 8.904 0.032 1.00 0.00 O ATOM 1162 CB PRO A 78 11.674 10.647 -2.507 1.00 0.00 C ATOM 1163 CG PRO A 78 10.757 11.800 -2.880 1.00 0.00 C ATOM 1164 CD PRO A 78 9.356 11.240 -3.066 1.00 0.00 C ATOM 0 HA PRO A 78 11.158 8.549 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.322 10.917 -1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.323 10.379 -3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.763 12.561 -2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.101 12.280 -3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.637 11.750 -2.425 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.013 11.366 -4.093 1.00 0.00 H new ATOM 1172 N GLU A 79 9.450 9.548 -0.111 1.00 0.00 N ATOM 1173 CA GLU A 79 9.195 9.397 1.311 1.00 0.00 C ATOM 1174 C GLU A 79 9.255 7.920 1.707 1.00 0.00 C ATOM 1175 O GLU A 79 10.184 7.495 2.394 1.00 0.00 O ATOM 1176 CB GLU A 79 7.849 10.013 1.695 1.00 0.00 C ATOM 1177 CG GLU A 79 7.729 11.443 1.165 1.00 0.00 C ATOM 1178 CD GLU A 79 7.909 12.463 2.292 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.499 12.071 3.322 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.453 13.610 2.097 1.00 0.00 O ATOM 0 H GLU A 79 8.649 9.865 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 79 9.971 9.932 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.039 9.404 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.741 10.013 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.480 11.613 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.754 11.581 0.697 1.00 0.00 H new ATOM 1187 N VAL A 80 8.254 7.179 1.258 1.00 0.00 N ATOM 1188 CA VAL A 80 8.181 5.759 1.556 1.00 0.00 C ATOM 1189 C VAL A 80 9.537 5.111 1.267 1.00 0.00 C ATOM 1190 O VAL A 80 10.313 5.621 0.461 1.00 0.00 O ATOM 1191 CB VAL A 80 7.034 5.117 0.774 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.938 5.701 -0.637 1.00 0.00 C ATOM 1193 CG2 VAL A 80 7.183 3.596 0.729 1.00 0.00 C ATOM 0 H VAL A 80 7.486 7.535 0.689 1.00 0.00 H new ATOM 0 HA VAL A 80 7.964 5.602 2.613 1.00 0.00 H new ATOM 0 HB VAL A 80 6.105 5.346 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.115 5.227 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.761 6.775 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.870 5.518 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.354 3.166 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.124 3.337 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.177 3.200 1.744 1.00 0.00 H new ATOM 1203 N GLU A 81 9.780 3.995 1.941 1.00 0.00 N ATOM 1204 CA GLU A 81 11.028 3.274 1.766 1.00 0.00 C ATOM 1205 C GLU A 81 10.753 1.846 1.289 1.00 0.00 C ATOM 1206 O GLU A 81 11.402 1.362 0.362 1.00 0.00 O ATOM 1207 CB GLU A 81 11.845 3.270 3.060 1.00 0.00 C ATOM 1208 CG GLU A 81 12.373 4.670 3.379 1.00 0.00 C ATOM 1209 CD GLU A 81 13.867 4.632 3.707 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.207 3.994 4.726 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.634 5.240 2.930 1.00 0.00 O ATOM 0 H GLU A 81 9.134 3.574 2.608 1.00 0.00 H new ATOM 0 HA GLU A 81 11.616 3.785 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.226 2.914 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.680 2.575 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.201 5.330 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.822 5.087 4.223 1.00 0.00 H new ATOM 1218 N GLY A 82 9.789 1.213 1.941 1.00 0.00 N ATOM 1219 CA GLY A 82 9.421 -0.148 1.594 1.00 0.00 C ATOM 1220 C GLY A 82 7.903 -0.337 1.649 1.00 0.00 C ATOM 1221 O GLY A 82 7.154 0.638 1.682 1.00 0.00 O ATOM 0 H GLY A 82 9.252 1.618 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.784 -0.383 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.903 -0.845 2.280 1.00 0.00 H new ATOM 1225 N VAL A 83 7.495 -1.598 1.657 1.00 0.00 N ATOM 1226 CA VAL A 83 6.081 -1.926 1.707 1.00 0.00 C ATOM 1227 C VAL A 83 5.886 -3.199 2.532 1.00 0.00 C ATOM 1228 O VAL A 83 6.837 -3.946 2.762 1.00 0.00 O ATOM 1229 CB VAL A 83 5.519 -2.040 0.288 1.00 0.00 C ATOM 1230 CG1 VAL A 83 4.090 -2.586 0.307 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.584 -0.696 -0.438 1.00 0.00 C ATOM 0 H VAL A 83 8.119 -2.404 1.630 1.00 0.00 H new ATOM 0 HA VAL A 83 5.522 -1.131 2.200 1.00 0.00 H new ATOM 0 HB VAL A 83 6.140 -2.747 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.714 -2.657 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.084 -3.575 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.452 -1.916 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.178 -0.806 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.999 0.042 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.621 -0.365 -0.499 1.00 0.00 H new ATOM 1241 N GLU A 84 4.648 -3.409 2.955 1.00 0.00 N ATOM 1242 CA GLU A 84 4.317 -4.580 3.749 1.00 0.00 C ATOM 1243 C GLU A 84 2.816 -4.868 3.670 1.00 0.00 C ATOM 1244 O GLU A 84 2.009 -3.949 3.547 1.00 0.00 O ATOM 1245 CB GLU A 84 4.764 -4.401 5.202 1.00 0.00 C ATOM 1246 CG GLU A 84 5.695 -5.536 5.633 1.00 0.00 C ATOM 1247 CD GLU A 84 4.924 -6.849 5.785 1.00 0.00 C ATOM 1248 OE1 GLU A 84 4.220 -6.979 6.808 1.00 0.00 O ATOM 1249 OE2 GLU A 84 5.058 -7.694 4.873 1.00 0.00 O ATOM 0 H GLU A 84 3.862 -2.788 2.763 1.00 0.00 H new ATOM 0 HA GLU A 84 4.854 -5.436 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.275 -3.445 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.891 -4.374 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.489 -5.659 4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.174 -5.280 6.578 1.00 0.00 H new ATOM 1256 N GLN A 85 2.489 -6.150 3.741 1.00 0.00 N ATOM 1257 CA GLN A 85 1.100 -6.572 3.678 1.00 0.00 C ATOM 1258 C GLN A 85 0.508 -6.663 5.086 1.00 0.00 C ATOM 1259 O GLN A 85 0.468 -7.740 5.679 1.00 0.00 O ATOM 1260 CB GLN A 85 0.964 -7.905 2.940 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.416 -8.035 2.292 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.167 -9.250 2.842 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -0.787 -10.391 2.640 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -2.252 -8.940 3.545 1.00 0.00 N ATOM 0 H GLN A 85 3.162 -6.910 3.842 1.00 0.00 H new ATOM 0 HA GLN A 85 0.540 -5.824 3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.737 -7.982 2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.121 -8.728 3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.995 -7.130 2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.307 -8.129 1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.513 -7.963 3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.823 -9.680 3.954 1.00 0.00 H new ATOM 1273 N VAL A 86 0.063 -5.517 5.582 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.524 -5.453 6.909 1.00 0.00 C ATOM 1275 C VAL A 86 -1.834 -6.245 6.921 1.00 0.00 C ATOM 1276 O VAL A 86 -2.423 -6.492 5.870 1.00 0.00 O ATOM 1277 CB VAL A 86 -0.704 -3.994 7.332 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.646 -3.336 7.619 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.483 -3.208 6.276 1.00 0.00 C ATOM 0 H VAL A 86 0.098 -4.625 5.088 1.00 0.00 H new ATOM 0 HA VAL A 86 0.140 -5.910 7.643 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.285 -3.983 8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.489 -2.299 7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.149 -3.873 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.263 -3.366 6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.597 -2.174 6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.941 -3.233 5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.467 -3.656 6.142 1.00 0.00 H new