USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 13 HIS : no HD1:sc= 0.631 K(o=0.63,f=-2.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 177:sc= 0.401 USER MOD Single : A 32 GLN : amide:sc= -0.0705 K(o=-0.071,f=-0.6) USER MOD Single : A 34 GLN : amide:sc= -1.12 X(o=-1.1,f=-1) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -108:sc= 0.531 USER MOD Single : A 61 CYS SG : rot 150:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 71 MET CE :methyl 164:sc= 0 (180deg=-0.388) USER MOD Single : A 74 ASN : amide:sc= -2.83! C(o=-2.8!,f=-9.1!) USER MOD Single : A 78 THR OG1 : rot -18:sc= -2.09! USER MOD Single : A 81 SER OG : rot 169:sc= -0.267! USER MOD Single : A 82 THR OG1 : rot 180:sc=0.000796 USER MOD Single : A 87 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.7!) USER MOD Single : A 88 GLN :FLIP amide:sc= -3.05! F(o=-3.6,f=-3!) USER MOD Single : A 93 SER OG : rot 111:sc= -0.77 USER MOD Single : A 94 SER OG : rot -100:sc= 0.28 USER MOD Single : A 96 THR OG1 : rot -20:sc= 0.504! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.874 -11.169 -1.814 1.00 0.00 N ATOM 133 CA HIS A 13 13.476 -10.515 -0.579 1.00 0.00 C ATOM 134 C HIS A 13 12.461 -9.413 -0.886 1.00 0.00 C ATOM 135 O HIS A 13 12.279 -9.036 -2.042 1.00 0.00 O ATOM 136 CB HIS A 13 14.700 -9.999 0.181 1.00 0.00 C ATOM 137 CG HIS A 13 15.468 -8.924 -0.550 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.381 -9.204 -1.552 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.449 -7.567 -0.415 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.883 -8.060 -1.992 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.305 -7.046 -1.286 1.00 0.00 N ATOM 0 HA HIS A 13 12.990 -11.236 0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.378 -9.608 1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.369 -10.836 0.383 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.841 -7.010 0.282 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.621 -7.949 -2.773 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.498 -6.052 -1.407 1.00 0.00 H new ATOM 149 N THR A 14 11.826 -8.926 0.171 1.00 0.00 N ATOM 150 CA THR A 14 10.834 -7.875 0.029 1.00 0.00 C ATOM 151 C THR A 14 11.252 -6.636 0.824 1.00 0.00 C ATOM 152 O THR A 14 11.660 -6.744 1.979 1.00 0.00 O ATOM 153 CB THR A 14 9.479 -8.442 0.456 1.00 0.00 C ATOM 154 OG1 THR A 14 9.802 -9.376 1.483 1.00 0.00 O ATOM 155 CG2 THR A 14 8.832 -9.298 -0.635 1.00 0.00 C ATOM 0 H THR A 14 11.980 -9.241 1.129 1.00 0.00 H new ATOM 0 HA THR A 14 10.753 -7.546 -1.007 1.00 0.00 H new ATOM 0 HB THR A 14 8.810 -7.623 0.720 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.980 -9.790 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.873 -9.676 -0.280 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.676 -8.692 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.486 -10.137 -0.875 1.00 0.00 H new ATOM 163 N GLU A 15 11.136 -5.488 0.173 1.00 0.00 N ATOM 164 CA GLU A 15 11.496 -4.230 0.805 1.00 0.00 C ATOM 165 C GLU A 15 10.275 -3.313 0.898 1.00 0.00 C ATOM 166 O GLU A 15 9.446 -3.284 -0.010 1.00 0.00 O ATOM 167 CB GLU A 15 12.639 -3.546 0.052 1.00 0.00 C ATOM 168 CG GLU A 15 13.900 -4.413 0.065 1.00 0.00 C ATOM 169 CD GLU A 15 15.102 -3.640 -0.482 1.00 0.00 C ATOM 170 OE1 GLU A 15 15.291 -2.490 -0.030 1.00 0.00 O ATOM 171 OE2 GLU A 15 15.805 -4.217 -1.340 1.00 0.00 O ATOM 0 H GLU A 15 10.798 -5.403 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 15 11.845 -4.441 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.337 -3.353 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.853 -2.580 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.108 -4.743 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.736 -5.309 -0.534 1.00 0.00 H new ATOM 178 N THR A 16 10.203 -2.586 2.003 1.00 0.00 N ATOM 179 CA THR A 16 9.097 -1.671 2.226 1.00 0.00 C ATOM 180 C THR A 16 9.520 -0.235 1.908 1.00 0.00 C ATOM 181 O THR A 16 10.616 0.188 2.274 1.00 0.00 O ATOM 182 CB THR A 16 8.613 -1.856 3.666 1.00 0.00 C ATOM 183 OG1 THR A 16 9.718 -2.464 4.329 1.00 0.00 O ATOM 184 CG2 THR A 16 7.495 -2.895 3.778 1.00 0.00 C ATOM 0 H THR A 16 10.893 -2.612 2.754 1.00 0.00 H new ATOM 0 HA THR A 16 8.264 -1.887 1.557 1.00 0.00 H new ATOM 0 HB THR A 16 8.263 -0.901 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.491 -2.618 5.270 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.188 -2.988 4.820 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.643 -2.579 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.856 -3.859 3.419 1.00 0.00 H new ATOM 192 N THR A 17 8.630 0.474 1.231 1.00 0.00 N ATOM 193 CA THR A 17 8.897 1.853 0.859 1.00 0.00 C ATOM 194 C THR A 17 7.963 2.800 1.615 1.00 0.00 C ATOM 195 O THR A 17 6.790 2.490 1.818 1.00 0.00 O ATOM 196 CB THR A 17 8.774 1.965 -0.662 1.00 0.00 C ATOM 197 OG1 THR A 17 9.202 3.294 -0.948 1.00 0.00 O ATOM 198 CG2 THR A 17 7.320 1.932 -1.136 1.00 0.00 C ATOM 0 H THR A 17 7.722 0.119 0.930 1.00 0.00 H new ATOM 0 HA THR A 17 9.907 2.150 1.141 1.00 0.00 H new ATOM 0 HB THR A 17 9.327 1.152 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.156 3.452 -1.914 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.290 2.015 -2.222 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.859 0.993 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.774 2.765 -0.693 1.00 0.00 H new ATOM 206 N GLU A 18 8.519 3.935 2.013 1.00 0.00 N ATOM 207 CA GLU A 18 7.751 4.929 2.742 1.00 0.00 C ATOM 208 C GLU A 18 7.231 6.004 1.787 1.00 0.00 C ATOM 209 O GLU A 18 8.004 6.607 1.044 1.00 0.00 O ATOM 210 CB GLU A 18 8.584 5.550 3.865 1.00 0.00 C ATOM 211 CG GLU A 18 7.888 6.781 4.448 1.00 0.00 C ATOM 212 CD GLU A 18 8.711 8.047 4.199 1.00 0.00 C ATOM 213 OE1 GLU A 18 9.262 8.155 3.082 1.00 0.00 O ATOM 214 OE2 GLU A 18 8.772 8.877 5.131 1.00 0.00 O ATOM 0 H GLU A 18 9.493 4.188 1.844 1.00 0.00 H new ATOM 0 HA GLU A 18 6.895 4.433 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.747 4.813 4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.565 5.830 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.901 6.891 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.738 6.645 5.519 1.00 0.00 H new ATOM 221 N VAL A 19 5.923 6.212 1.836 1.00 0.00 N ATOM 222 CA VAL A 19 5.290 7.204 0.984 1.00 0.00 C ATOM 223 C VAL A 19 4.747 8.343 1.850 1.00 0.00 C ATOM 224 O VAL A 19 3.954 8.110 2.761 1.00 0.00 O ATOM 225 CB VAL A 19 4.213 6.543 0.121 1.00 0.00 C ATOM 226 CG1 VAL A 19 3.788 7.462 -1.026 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.690 5.189 -0.409 1.00 0.00 C ATOM 0 H VAL A 19 5.284 5.710 2.453 1.00 0.00 H new ATOM 0 HA VAL A 19 6.017 7.637 0.297 1.00 0.00 H new ATOM 0 HB VAL A 19 3.340 6.368 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.022 6.968 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.388 8.391 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.651 7.683 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.906 4.740 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.585 5.330 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.919 4.531 0.429 1.00 0.00 H new ATOM 237 N VAL A 20 5.195 9.549 1.535 1.00 0.00 N ATOM 238 CA VAL A 20 4.764 10.724 2.273 1.00 0.00 C ATOM 239 C VAL A 20 3.772 11.520 1.422 1.00 0.00 C ATOM 240 O VAL A 20 4.132 12.041 0.368 1.00 0.00 O ATOM 241 CB VAL A 20 5.980 11.548 2.701 1.00 0.00 C ATOM 242 CG1 VAL A 20 5.551 12.895 3.286 1.00 0.00 C ATOM 243 CG2 VAL A 20 6.847 10.771 3.694 1.00 0.00 C ATOM 0 H VAL A 20 5.852 9.738 0.778 1.00 0.00 H new ATOM 0 HA VAL A 20 4.247 10.433 3.187 1.00 0.00 H new ATOM 0 HB VAL A 20 6.581 11.744 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.434 13.461 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.995 13.457 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.918 12.728 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.704 11.379 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.259 10.530 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.196 9.849 3.229 1.00 0.00 H new ATOM 253 N LEU A 21 2.543 11.588 1.912 1.00 0.00 N ATOM 254 CA LEU A 21 1.497 12.312 1.210 1.00 0.00 C ATOM 255 C LEU A 21 1.032 13.489 2.069 1.00 0.00 C ATOM 256 O LEU A 21 0.907 13.362 3.286 1.00 0.00 O ATOM 257 CB LEU A 21 0.367 11.362 0.805 1.00 0.00 C ATOM 258 CG LEU A 21 0.798 10.055 0.136 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.259 8.966 0.331 1.00 0.00 C ATOM 260 CD2 LEU A 21 1.125 10.278 -1.342 1.00 0.00 C ATOM 0 H LEU A 21 2.248 11.154 2.787 1.00 0.00 H new ATOM 0 HA LEU A 21 1.882 12.729 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.212 11.118 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.301 11.892 0.126 1.00 0.00 H new ATOM 0 HG LEU A 21 1.711 9.708 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.071 8.047 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.401 8.783 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.201 9.290 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.429 9.334 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.243 10.659 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.937 11.000 -1.430 1.00 0.00 H new ATOM 272 N THR A 22 0.789 14.608 1.402 1.00 0.00 N ATOM 273 CA THR A 22 0.340 15.806 2.089 1.00 0.00 C ATOM 274 C THR A 22 -1.164 16.004 1.891 1.00 0.00 C ATOM 275 O THR A 22 -1.608 16.360 0.801 1.00 0.00 O ATOM 276 CB THR A 22 1.179 16.982 1.585 1.00 0.00 C ATOM 277 OG1 THR A 22 2.505 16.462 1.524 1.00 0.00 O ATOM 278 CG2 THR A 22 1.271 18.117 2.607 1.00 0.00 C ATOM 0 H THR A 22 0.895 14.710 0.393 1.00 0.00 H new ATOM 0 HA THR A 22 0.485 15.722 3.166 1.00 0.00 H new ATOM 0 HB THR A 22 0.750 17.362 0.658 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.115 17.159 1.205 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.877 18.926 2.199 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.271 18.489 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.731 17.746 3.523 1.00 0.00 H new ATOM 286 N ALA A 23 -1.906 15.765 2.962 1.00 0.00 N ATOM 287 CA ALA A 23 -3.351 15.912 2.920 1.00 0.00 C ATOM 288 C ALA A 23 -3.706 17.206 2.185 1.00 0.00 C ATOM 289 O ALA A 23 -3.673 18.286 2.772 1.00 0.00 O ATOM 290 CB ALA A 23 -3.910 15.877 4.344 1.00 0.00 C ATOM 0 H ALA A 23 -1.534 15.470 3.865 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.805 15.086 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.994 15.987 4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.656 14.926 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.479 16.693 4.924 1.00 0.00 H new ATOM 296 N ASP A 24 -4.037 17.054 0.911 1.00 0.00 N ATOM 297 CA ASP A 24 -4.398 18.197 0.090 1.00 0.00 C ATOM 298 C ASP A 24 -5.542 18.960 0.761 1.00 0.00 C ATOM 299 O ASP A 24 -6.191 18.442 1.668 1.00 0.00 O ATOM 300 CB ASP A 24 -4.874 17.753 -1.294 1.00 0.00 C ATOM 301 CG ASP A 24 -4.120 18.380 -2.469 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.931 18.710 -2.269 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.750 18.514 -3.540 1.00 0.00 O ATOM 0 H ASP A 24 -4.063 16.156 0.427 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.515 18.827 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.785 16.669 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.933 17.993 -1.392 1.00 0.00 H new ATOM 308 N PRO A 25 -5.760 20.212 0.276 1.00 0.00 N ATOM 309 CA PRO A 25 -6.814 21.052 0.819 1.00 0.00 C ATOM 310 C PRO A 25 -8.189 20.587 0.334 1.00 0.00 C ATOM 311 O PRO A 25 -9.215 21.023 0.854 1.00 0.00 O ATOM 312 CB PRO A 25 -6.469 22.460 0.364 1.00 0.00 C ATOM 313 CG PRO A 25 -5.500 22.298 -0.797 1.00 0.00 C ATOM 314 CD PRO A 25 -5.011 20.859 -0.797 1.00 0.00 C ATOM 0 HA PRO A 25 -6.873 21.003 1.906 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.363 23.000 0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.016 23.032 1.174 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.992 22.534 -1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.661 22.986 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.198 20.377 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.937 20.806 -0.618 1.00 0.00 H new ATOM 322 N VAL A 26 -8.166 19.709 -0.658 1.00 0.00 N ATOM 323 CA VAL A 26 -9.398 19.181 -1.219 1.00 0.00 C ATOM 324 C VAL A 26 -9.378 17.653 -1.134 1.00 0.00 C ATOM 325 O VAL A 26 -10.269 17.050 -0.538 1.00 0.00 O ATOM 326 CB VAL A 26 -9.586 19.697 -2.647 1.00 0.00 C ATOM 327 CG1 VAL A 26 -10.724 18.956 -3.352 1.00 0.00 C ATOM 328 CG2 VAL A 26 -9.827 21.208 -2.656 1.00 0.00 C ATOM 0 H VAL A 26 -7.313 19.350 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.258 19.528 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.666 19.501 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.837 19.342 -4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.495 17.891 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.652 19.106 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.957 21.550 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.724 21.437 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.971 21.716 -2.211 1.00 0.00 H new ATOM 338 N THR A 27 -8.352 17.072 -1.738 1.00 0.00 N ATOM 339 CA THR A 27 -8.205 15.626 -1.738 1.00 0.00 C ATOM 340 C THR A 27 -7.042 15.209 -0.836 1.00 0.00 C ATOM 341 O THR A 27 -5.986 14.809 -1.324 1.00 0.00 O ATOM 342 CB THR A 27 -8.044 15.167 -3.189 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.099 16.081 -3.739 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.309 15.395 -4.019 1.00 0.00 C ATOM 0 H THR A 27 -7.615 17.576 -2.231 1.00 0.00 H new ATOM 0 HA THR A 27 -9.088 15.138 -1.324 1.00 0.00 H new ATOM 0 HB THR A 27 -7.783 14.109 -3.208 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.897 15.826 -4.663 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.141 15.052 -5.040 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.137 14.838 -3.581 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.551 16.458 -4.028 1.00 0.00 H new ATOM 352 N GLY A 28 -7.275 15.316 0.464 1.00 0.00 N ATOM 353 CA GLY A 28 -6.259 14.955 1.438 1.00 0.00 C ATOM 354 C GLY A 28 -5.251 13.971 0.841 1.00 0.00 C ATOM 355 O GLY A 28 -4.211 14.378 0.326 1.00 0.00 O ATOM 0 H GLY A 28 -8.152 15.647 0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.740 15.852 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.732 14.510 2.314 1.00 0.00 H new ATOM 359 N PHE A 29 -5.595 12.694 0.929 1.00 0.00 N ATOM 360 CA PHE A 29 -4.733 11.649 0.403 1.00 0.00 C ATOM 361 C PHE A 29 -5.401 10.924 -0.767 1.00 0.00 C ATOM 362 O PHE A 29 -4.725 10.297 -1.581 1.00 0.00 O ATOM 363 CB PHE A 29 -4.498 10.651 1.538 1.00 0.00 C ATOM 364 CG PHE A 29 -4.074 11.298 2.858 1.00 0.00 C ATOM 365 CD1 PHE A 29 -2.963 12.081 2.906 1.00 0.00 C ATOM 366 CD2 PHE A 29 -4.808 11.091 3.984 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.569 12.682 4.131 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.415 11.691 5.209 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.304 12.474 5.256 1.00 0.00 C ATOM 0 H PHE A 29 -6.459 12.360 1.357 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.800 12.082 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.413 10.081 1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.731 9.941 1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.380 12.246 2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.691 10.470 3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.687 13.304 4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.998 11.526 6.103 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.005 12.931 6.188 1.00 0.00 H new ATOM 379 N GLY A 30 -6.721 11.035 -0.815 1.00 0.00 N ATOM 380 CA GLY A 30 -7.488 10.398 -1.872 1.00 0.00 C ATOM 381 C GLY A 30 -7.111 8.922 -2.009 1.00 0.00 C ATOM 382 O GLY A 30 -6.677 8.484 -3.074 1.00 0.00 O ATOM 0 H GLY A 30 -7.279 11.557 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.553 10.487 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.309 10.912 -2.816 1.00 0.00 H new ATOM 386 N ILE A 31 -7.291 8.194 -0.916 1.00 0.00 N ATOM 387 CA ILE A 31 -6.975 6.776 -0.901 1.00 0.00 C ATOM 388 C ILE A 31 -8.187 5.994 -0.390 1.00 0.00 C ATOM 389 O ILE A 31 -8.889 6.449 0.511 1.00 0.00 O ATOM 390 CB ILE A 31 -5.696 6.520 -0.102 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.607 7.529 -0.471 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.221 5.076 -0.274 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.321 7.259 0.312 1.00 0.00 C ATOM 0 H ILE A 31 -7.652 8.560 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.768 6.421 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.921 6.661 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.404 7.475 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.958 8.540 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.310 4.921 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.995 4.394 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.019 4.882 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.563 7.990 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.522 7.338 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.960 6.256 0.084 1.00 0.00 H new ATOM 405 N GLN A 32 -8.394 4.829 -0.987 1.00 0.00 N ATOM 406 CA GLN A 32 -9.508 3.979 -0.604 1.00 0.00 C ATOM 407 C GLN A 32 -9.012 2.570 -0.274 1.00 0.00 C ATOM 408 O GLN A 32 -8.311 1.952 -1.074 1.00 0.00 O ATOM 409 CB GLN A 32 -10.573 3.943 -1.702 1.00 0.00 C ATOM 410 CG GLN A 32 -11.617 5.042 -1.490 1.00 0.00 C ATOM 411 CD GLN A 32 -12.902 4.469 -0.890 1.00 0.00 C ATOM 412 OE1 GLN A 32 -12.901 3.460 -0.203 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.995 5.166 -1.185 1.00 0.00 N ATOM 0 H GLN A 32 -7.809 4.454 -1.733 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.969 4.399 0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.100 4.069 -2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.062 2.969 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.214 5.809 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.840 5.525 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.926 6.002 -1.766 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.903 4.865 -0.831 1.00 0.00 H new ATOM 422 N LEU A 33 -9.396 2.103 0.905 1.00 0.00 N ATOM 423 CA LEU A 33 -8.999 0.778 1.350 1.00 0.00 C ATOM 424 C LEU A 33 -10.081 -0.231 0.962 1.00 0.00 C ATOM 425 O LEU A 33 -11.233 0.142 0.744 1.00 0.00 O ATOM 426 CB LEU A 33 -8.676 0.790 2.845 1.00 0.00 C ATOM 427 CG LEU A 33 -7.506 1.679 3.272 1.00 0.00 C ATOM 428 CD1 LEU A 33 -6.209 1.245 2.586 1.00 0.00 C ATOM 429 CD2 LEU A 33 -7.820 3.155 3.022 1.00 0.00 C ATOM 0 H LEU A 33 -9.978 2.618 1.566 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.081 0.468 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.566 1.111 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.463 -0.232 3.159 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.359 1.558 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.393 1.893 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.981 0.214 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.327 1.318 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.972 3.765 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.009 3.312 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.703 3.441 3.594 1.00 0.00 H new ATOM 441 N GLN A 34 -9.673 -1.490 0.889 1.00 0.00 N ATOM 442 CA GLN A 34 -10.594 -2.555 0.532 1.00 0.00 C ATOM 443 C GLN A 34 -10.931 -3.400 1.762 1.00 0.00 C ATOM 444 O GLN A 34 -10.040 -3.964 2.395 1.00 0.00 O ATOM 445 CB GLN A 34 -10.019 -3.424 -0.589 1.00 0.00 C ATOM 446 CG GLN A 34 -8.861 -4.283 -0.078 1.00 0.00 C ATOM 447 CD GLN A 34 -9.325 -5.711 0.216 1.00 0.00 C ATOM 448 OE1 GLN A 34 -9.270 -6.192 1.336 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.785 -6.360 -0.850 1.00 0.00 N ATOM 0 H GLN A 34 -8.717 -1.796 1.071 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.515 -2.104 0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.801 -4.066 -0.994 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.673 -2.789 -1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.063 -4.302 -0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.445 -3.839 0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.804 -5.898 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.119 -7.319 -0.758 1.00 0.00 H new ATOM 620 N PRO A 47 -5.160 -4.112 4.144 1.00 0.00 N ATOM 621 CA PRO A 47 -5.971 -3.195 3.362 1.00 0.00 C ATOM 622 C PRO A 47 -5.259 -2.802 2.066 1.00 0.00 C ATOM 623 O PRO A 47 -4.325 -2.002 2.084 1.00 0.00 O ATOM 624 CB PRO A 47 -6.225 -2.012 4.282 1.00 0.00 C ATOM 625 CG PRO A 47 -5.168 -2.097 5.372 1.00 0.00 C ATOM 626 CD PRO A 47 -4.538 -3.478 5.303 1.00 0.00 C ATOM 0 HA PRO A 47 -6.912 -3.639 3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.150 -1.071 3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.228 -2.056 4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.412 -1.325 5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.616 -1.930 6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.456 -3.414 5.186 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.727 -4.046 6.214 1.00 0.00 H new ATOM 634 N LEU A 48 -5.728 -3.383 0.972 1.00 0.00 N ATOM 635 CA LEU A 48 -5.148 -3.104 -0.331 1.00 0.00 C ATOM 636 C LEU A 48 -5.809 -1.857 -0.922 1.00 0.00 C ATOM 637 O LEU A 48 -7.026 -1.700 -0.844 1.00 0.00 O ATOM 638 CB LEU A 48 -5.240 -4.336 -1.234 1.00 0.00 C ATOM 639 CG LEU A 48 -4.908 -5.677 -0.576 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.687 -6.818 -1.233 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.400 -5.932 -0.583 1.00 0.00 C ATOM 0 H LEU A 48 -6.503 -4.046 0.961 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.084 -2.887 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.251 -4.392 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.568 -4.193 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.222 -5.633 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.433 -7.760 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.757 -6.634 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.428 -6.874 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.191 -6.891 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.039 -5.948 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.894 -5.138 -0.033 1.00 0.00 H new ATOM 653 N ILE A 49 -4.977 -1.003 -1.501 1.00 0.00 N ATOM 654 CA ILE A 49 -5.466 0.224 -2.105 1.00 0.00 C ATOM 655 C ILE A 49 -6.623 -0.103 -3.051 1.00 0.00 C ATOM 656 O ILE A 49 -6.403 -0.424 -4.218 1.00 0.00 O ATOM 657 CB ILE A 49 -4.320 0.985 -2.775 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.379 1.591 -1.731 1.00 0.00 C ATOM 659 CG2 ILE A 49 -4.855 2.040 -3.745 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.255 2.384 -2.400 1.00 0.00 C ATOM 0 H ILE A 49 -3.968 -1.137 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.859 0.894 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.736 0.275 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.942 2.244 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.953 0.798 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.020 2.566 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.451 1.555 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.476 2.752 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.601 2.804 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.679 1.723 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.683 3.191 -2.994 1.00 0.00 H new ATOM 672 N SER A 50 -7.830 -0.011 -2.513 1.00 0.00 N ATOM 673 CA SER A 50 -9.021 -0.293 -3.294 1.00 0.00 C ATOM 674 C SER A 50 -9.100 0.658 -4.490 1.00 0.00 C ATOM 675 O SER A 50 -9.140 0.217 -5.638 1.00 0.00 O ATOM 676 CB SER A 50 -10.283 -0.175 -2.437 1.00 0.00 C ATOM 677 OG SER A 50 -11.463 -0.470 -3.180 1.00 0.00 O ATOM 0 H SER A 50 -8.008 0.255 -1.545 1.00 0.00 H new ATOM 0 HA SER A 50 -8.957 -1.319 -3.657 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.210 -0.855 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.353 0.834 -2.032 1.00 0.00 H new ATOM 0 HG SER A 50 -12.246 -0.385 -2.597 1.00 0.00 H new ATOM 683 N TYR A 51 -9.122 1.946 -4.180 1.00 0.00 N ATOM 684 CA TYR A 51 -9.195 2.963 -5.215 1.00 0.00 C ATOM 685 C TYR A 51 -8.363 4.191 -4.838 1.00 0.00 C ATOM 686 O TYR A 51 -8.182 4.483 -3.657 1.00 0.00 O ATOM 687 CB TYR A 51 -10.668 3.368 -5.304 1.00 0.00 C ATOM 688 CG TYR A 51 -10.924 4.594 -6.184 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.910 4.471 -7.559 1.00 0.00 C ATOM 690 CD2 TYR A 51 -11.171 5.821 -5.603 1.00 0.00 C ATOM 691 CE1 TYR A 51 -11.151 5.625 -8.387 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.412 6.974 -6.431 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.390 6.819 -7.782 1.00 0.00 C ATOM 694 OH TYR A 51 -11.618 7.908 -8.564 1.00 0.00 O ATOM 0 H TYR A 51 -9.091 2.308 -3.227 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.809 2.578 -6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.242 2.528 -5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.040 3.570 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.718 3.510 -8.014 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.184 5.916 -4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.142 5.544 -9.464 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.606 7.940 -5.989 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.775 8.691 -7.996 1.00 0.00 H new ATOM 704 N ILE A 52 -7.880 4.876 -5.863 1.00 0.00 N ATOM 705 CA ILE A 52 -7.071 6.065 -5.654 1.00 0.00 C ATOM 706 C ILE A 52 -7.761 7.267 -6.303 1.00 0.00 C ATOM 707 O ILE A 52 -7.811 7.371 -7.528 1.00 0.00 O ATOM 708 CB ILE A 52 -5.642 5.835 -6.149 1.00 0.00 C ATOM 709 CG1 ILE A 52 -5.023 4.604 -5.484 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.784 7.087 -5.949 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.940 3.988 -6.372 1.00 0.00 C ATOM 0 H ILE A 52 -8.033 4.631 -6.841 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.983 6.284 -4.590 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.679 5.638 -7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.594 4.883 -4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.799 3.865 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.773 6.897 -6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.217 7.918 -6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.750 7.339 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.516 3.115 -5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.377 3.688 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.154 4.722 -6.549 1.00 0.00 H new ATOM 723 N GLU A 53 -8.276 8.143 -5.454 1.00 0.00 N ATOM 724 CA GLU A 53 -8.961 9.333 -5.930 1.00 0.00 C ATOM 725 C GLU A 53 -8.100 10.064 -6.963 1.00 0.00 C ATOM 726 O GLU A 53 -6.879 9.916 -6.974 1.00 0.00 O ATOM 727 CB GLU A 53 -9.326 10.258 -4.767 1.00 0.00 C ATOM 728 CG GLU A 53 -10.814 10.154 -4.430 1.00 0.00 C ATOM 729 CD GLU A 53 -11.137 8.805 -3.784 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.191 7.999 -3.651 1.00 0.00 O ATOM 731 OE2 GLU A 53 -12.322 8.610 -3.438 1.00 0.00 O ATOM 0 H GLU A 53 -8.233 8.053 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.889 9.026 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.732 9.998 -3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.079 11.288 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.095 10.962 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.405 10.278 -5.337 1.00 0.00 H new ATOM 738 N ALA A 54 -8.771 10.837 -7.804 1.00 0.00 N ATOM 739 CA ALA A 54 -8.082 11.590 -8.838 1.00 0.00 C ATOM 740 C ALA A 54 -7.643 12.942 -8.271 1.00 0.00 C ATOM 741 O ALA A 54 -8.064 13.328 -7.182 1.00 0.00 O ATOM 742 CB ALA A 54 -8.996 11.739 -10.056 1.00 0.00 C ATOM 0 H ALA A 54 -9.784 10.958 -7.791 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.186 11.062 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.479 12.304 -10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.256 10.752 -10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.904 12.267 -9.767 1.00 0.00 H new ATOM 748 N ASP A 55 -6.801 13.622 -9.035 1.00 0.00 N ATOM 749 CA ASP A 55 -6.299 14.922 -8.622 1.00 0.00 C ATOM 750 C ASP A 55 -5.866 14.855 -7.156 1.00 0.00 C ATOM 751 O ASP A 55 -5.871 15.866 -6.456 1.00 0.00 O ATOM 752 CB ASP A 55 -7.383 15.995 -8.746 1.00 0.00 C ATOM 753 CG ASP A 55 -6.861 17.424 -8.916 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.794 17.567 -9.551 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.542 18.340 -8.407 1.00 0.00 O ATOM 0 H ASP A 55 -6.454 13.298 -9.937 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.460 15.180 -9.268 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.018 15.752 -9.598 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.014 15.958 -7.858 1.00 0.00 H new ATOM 760 N SER A 56 -5.502 13.652 -6.734 1.00 0.00 N ATOM 761 CA SER A 56 -5.068 13.440 -5.364 1.00 0.00 C ATOM 762 C SER A 56 -3.550 13.252 -5.320 1.00 0.00 C ATOM 763 O SER A 56 -2.926 12.971 -6.342 1.00 0.00 O ATOM 764 CB SER A 56 -5.771 12.230 -4.745 1.00 0.00 C ATOM 765 OG SER A 56 -5.047 11.022 -4.963 1.00 0.00 O ATOM 0 H SER A 56 -5.499 12.815 -7.317 1.00 0.00 H new ATOM 0 HA SER A 56 -5.336 14.320 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.894 12.391 -3.674 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.770 12.135 -5.169 1.00 0.00 H new ATOM 0 HG SER A 56 -5.520 10.471 -5.621 1.00 0.00 H new ATOM 771 N PRO A 57 -2.985 13.418 -4.094 1.00 0.00 N ATOM 772 CA PRO A 57 -1.553 13.269 -3.903 1.00 0.00 C ATOM 773 C PRO A 57 -1.146 11.795 -3.929 1.00 0.00 C ATOM 774 O PRO A 57 0.026 11.473 -4.119 1.00 0.00 O ATOM 775 CB PRO A 57 -1.261 13.943 -2.572 1.00 0.00 C ATOM 776 CG PRO A 57 -2.595 14.033 -1.849 1.00 0.00 C ATOM 777 CD PRO A 57 -3.694 13.750 -2.861 1.00 0.00 C ATOM 0 HA PRO A 57 -0.972 13.729 -4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.541 13.366 -1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.830 14.933 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.635 13.314 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.725 15.022 -1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.330 12.927 -2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.340 14.617 -2.997 1.00 0.00 H new ATOM 785 N ALA A 58 -2.137 10.937 -3.734 1.00 0.00 N ATOM 786 CA ALA A 58 -1.898 9.504 -3.732 1.00 0.00 C ATOM 787 C ALA A 58 -1.766 9.011 -5.175 1.00 0.00 C ATOM 788 O ALA A 58 -1.149 7.978 -5.428 1.00 0.00 O ATOM 789 CB ALA A 58 -3.025 8.799 -2.976 1.00 0.00 C ATOM 0 H ALA A 58 -3.108 11.207 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.966 9.272 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.845 7.724 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.057 9.163 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.977 9.007 -3.465 1.00 0.00 H new ATOM 795 N GLU A 59 -2.358 9.774 -6.083 1.00 0.00 N ATOM 796 CA GLU A 59 -2.314 9.428 -7.494 1.00 0.00 C ATOM 797 C GLU A 59 -1.134 10.123 -8.175 1.00 0.00 C ATOM 798 O GLU A 59 -0.682 9.692 -9.235 1.00 0.00 O ATOM 799 CB GLU A 59 -3.632 9.781 -8.186 1.00 0.00 C ATOM 800 CG GLU A 59 -3.673 9.219 -9.608 1.00 0.00 C ATOM 801 CD GLU A 59 -3.902 7.707 -9.593 1.00 0.00 C ATOM 802 OE1 GLU A 59 -5.088 7.312 -9.608 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.886 6.979 -9.568 1.00 0.00 O ATOM 0 H GLU A 59 -2.870 10.630 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.174 8.350 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.467 9.383 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.753 10.864 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.469 9.705 -10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.737 9.444 -10.119 1.00 0.00 H new ATOM 810 N ARG A 60 -0.668 11.188 -7.538 1.00 0.00 N ATOM 811 CA ARG A 60 0.452 11.946 -8.070 1.00 0.00 C ATOM 812 C ARG A 60 1.736 11.118 -8.000 1.00 0.00 C ATOM 813 O ARG A 60 2.498 11.066 -8.964 1.00 0.00 O ATOM 814 CB ARG A 60 0.651 13.250 -7.294 1.00 0.00 C ATOM 815 CG ARG A 60 -0.043 14.418 -7.996 1.00 0.00 C ATOM 816 CD ARG A 60 0.894 15.623 -8.112 1.00 0.00 C ATOM 817 NE ARG A 60 0.519 16.445 -9.284 1.00 0.00 N ATOM 818 CZ ARG A 60 0.869 17.729 -9.444 1.00 0.00 C ATOM 819 NH1 ARG A 60 1.605 18.344 -8.508 1.00 0.00 N ATOM 820 NH2 ARG A 60 0.484 18.397 -10.540 1.00 0.00 N ATOM 0 H ARG A 60 -1.045 11.543 -6.659 1.00 0.00 H new ATOM 0 HA ARG A 60 0.227 12.185 -9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.255 13.141 -6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.716 13.461 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.368 14.109 -8.989 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.938 14.701 -7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.841 16.224 -7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.925 15.284 -8.210 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.041 16.007 -10.016 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.899 17.835 -7.674 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.872 19.321 -8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.075 17.928 -11.253 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.750 19.374 -10.662 1.00 0.00 H new ATOM 834 N CYS A 61 1.936 10.490 -6.851 1.00 0.00 N ATOM 835 CA CYS A 61 3.114 9.666 -6.643 1.00 0.00 C ATOM 836 C CYS A 61 3.142 8.586 -7.726 1.00 0.00 C ATOM 837 O CYS A 61 4.195 8.300 -8.295 1.00 0.00 O ATOM 838 CB CYS A 61 3.143 9.065 -5.236 1.00 0.00 C ATOM 839 SG CYS A 61 4.825 9.209 -4.528 1.00 0.00 S ATOM 0 H CYS A 61 1.301 10.535 -6.054 1.00 0.00 H new ATOM 0 HA CYS A 61 4.010 10.282 -6.722 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.425 9.580 -4.597 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.843 8.018 -5.273 1.00 0.00 H new ATOM 0 HG CYS A 61 4.744 9.318 -3.235 1.00 0.00 H new ATOM 845 N GLY A 62 1.973 8.015 -7.978 1.00 0.00 N ATOM 846 CA GLY A 62 1.851 6.973 -8.983 1.00 0.00 C ATOM 847 C GLY A 62 2.222 5.606 -8.403 1.00 0.00 C ATOM 848 O GLY A 62 1.488 4.635 -8.575 1.00 0.00 O ATOM 0 H GLY A 62 1.102 8.254 -7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.829 6.946 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.499 7.201 -9.829 1.00 0.00 H new ATOM 852 N VAL A 63 3.362 5.575 -7.729 1.00 0.00 N ATOM 853 CA VAL A 63 3.840 4.344 -7.123 1.00 0.00 C ATOM 854 C VAL A 63 2.668 3.620 -6.458 1.00 0.00 C ATOM 855 O VAL A 63 2.674 2.395 -6.347 1.00 0.00 O ATOM 856 CB VAL A 63 4.983 4.648 -6.152 1.00 0.00 C ATOM 857 CG1 VAL A 63 6.123 5.383 -6.860 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.482 5.446 -4.947 1.00 0.00 C ATOM 0 H VAL A 63 3.969 6.383 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 63 4.246 3.677 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 63 5.372 3.698 -5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.922 5.587 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.508 4.763 -7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.752 6.323 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.314 5.648 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.053 6.389 -5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.721 4.870 -4.421 1.00 0.00 H new ATOM 868 N LEU A 64 1.691 4.407 -6.033 1.00 0.00 N ATOM 869 CA LEU A 64 0.515 3.856 -5.383 1.00 0.00 C ATOM 870 C LEU A 64 -0.403 3.236 -6.438 1.00 0.00 C ATOM 871 O LEU A 64 -1.169 3.943 -7.092 1.00 0.00 O ATOM 872 CB LEU A 64 -0.169 4.920 -4.521 1.00 0.00 C ATOM 873 CG LEU A 64 0.727 5.646 -3.516 1.00 0.00 C ATOM 874 CD1 LEU A 64 0.040 6.903 -2.978 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.165 4.706 -2.392 1.00 0.00 C ATOM 0 H LEU A 64 1.690 5.423 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 64 0.798 3.057 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.616 5.663 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.985 4.447 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 64 1.630 5.969 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.698 7.401 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.179 7.580 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.889 6.625 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.801 5.248 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.286 4.331 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.721 3.869 -2.814 1.00 0.00 H new ATOM 887 N GLN A 65 -0.296 1.922 -6.572 1.00 0.00 N ATOM 888 CA GLN A 65 -1.107 1.200 -7.537 1.00 0.00 C ATOM 889 C GLN A 65 -2.355 0.629 -6.860 1.00 0.00 C ATOM 890 O GLN A 65 -2.374 0.437 -5.645 1.00 0.00 O ATOM 891 CB GLN A 65 -0.297 0.093 -8.214 1.00 0.00 C ATOM 892 CG GLN A 65 -1.008 -0.417 -9.470 1.00 0.00 C ATOM 893 CD GLN A 65 -0.206 -1.537 -10.137 1.00 0.00 C ATOM 894 OE1 GLN A 65 1.012 -1.512 -10.198 1.00 0.00 O ATOM 895 NE2 GLN A 65 -0.956 -2.517 -10.632 1.00 0.00 N ATOM 0 H GLN A 65 0.340 1.339 -6.028 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.424 1.899 -8.311 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.691 0.470 -8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.147 -0.731 -7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.001 -0.782 -9.207 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.146 0.404 -10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.972 -2.475 -10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.516 -3.311 -11.097 1.00 0.00 H new ATOM 904 N ILE A 66 -3.368 0.374 -7.676 1.00 0.00 N ATOM 905 CA ILE A 66 -4.617 -0.170 -7.171 1.00 0.00 C ATOM 906 C ILE A 66 -4.390 -1.611 -6.709 1.00 0.00 C ATOM 907 O ILE A 66 -3.912 -2.445 -7.477 1.00 0.00 O ATOM 908 CB ILE A 66 -5.725 -0.026 -8.216 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.977 1.446 -8.549 1.00 0.00 C ATOM 910 CG2 ILE A 66 -7.002 -0.737 -7.762 1.00 0.00 C ATOM 911 CD1 ILE A 66 -7.054 2.038 -7.639 1.00 0.00 C ATOM 0 H ILE A 66 -3.349 0.534 -8.683 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.955 0.394 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.394 -0.512 -9.134 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.052 2.011 -8.438 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.285 1.539 -9.591 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.774 -0.619 -8.523 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.796 -1.797 -7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.347 -0.301 -6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.213 3.085 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.985 1.486 -7.770 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.733 1.965 -6.600 1.00 0.00 H new ATOM 923 N GLY A 67 -4.744 -1.860 -5.457 1.00 0.00 N ATOM 924 CA GLY A 67 -4.585 -3.186 -4.884 1.00 0.00 C ATOM 925 C GLY A 67 -3.124 -3.454 -4.519 1.00 0.00 C ATOM 926 O GLY A 67 -2.539 -4.439 -4.966 1.00 0.00 O ATOM 0 H GLY A 67 -5.140 -1.166 -4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.209 -3.279 -3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.930 -3.937 -5.595 1.00 0.00 H new ATOM 930 N ASP A 68 -2.576 -2.560 -3.709 1.00 0.00 N ATOM 931 CA ASP A 68 -1.194 -2.687 -3.279 1.00 0.00 C ATOM 932 C ASP A 68 -1.152 -3.371 -1.911 1.00 0.00 C ATOM 933 O ASP A 68 -2.191 -3.734 -1.362 1.00 0.00 O ATOM 934 CB ASP A 68 -0.531 -1.315 -3.142 1.00 0.00 C ATOM 935 CG ASP A 68 -0.091 -0.675 -4.460 1.00 0.00 C ATOM 936 OD1 ASP A 68 0.126 -1.446 -5.420 1.00 0.00 O ATOM 937 OD2 ASP A 68 0.019 0.570 -4.477 1.00 0.00 O ATOM 0 H ASP A 68 -3.064 -1.744 -3.339 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.660 -3.272 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.226 -0.640 -2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.340 -1.412 -2.494 1.00 0.00 H new ATOM 942 N ARG A 69 0.061 -3.527 -1.400 1.00 0.00 N ATOM 943 CA ARG A 69 0.252 -4.161 -0.107 1.00 0.00 C ATOM 944 C ARG A 69 0.852 -3.166 0.889 1.00 0.00 C ATOM 945 O ARG A 69 2.072 -3.070 1.017 1.00 0.00 O ATOM 946 CB ARG A 69 1.175 -5.377 -0.220 1.00 0.00 C ATOM 947 CG ARG A 69 2.193 -5.189 -1.347 1.00 0.00 C ATOM 948 CD ARG A 69 1.584 -5.555 -2.702 1.00 0.00 C ATOM 949 NE ARG A 69 2.646 -6.007 -3.629 1.00 0.00 N ATOM 950 CZ ARG A 69 3.390 -5.183 -4.378 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.194 -3.859 -4.315 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.332 -5.682 -5.190 1.00 0.00 N ATOM 0 H ARG A 69 0.921 -3.225 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.724 -4.491 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.697 -5.531 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.582 -6.272 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.534 -4.154 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.069 -5.810 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.841 -6.343 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.066 -4.693 -3.122 1.00 0.00 H new ATOM 0 HE ARG A 69 2.822 -7.009 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.478 -3.478 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.761 -3.232 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.483 -6.690 -5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.898 -5.054 -5.760 1.00 0.00 H new ATOM 966 N VAL A 70 -0.033 -2.451 1.568 1.00 0.00 N ATOM 967 CA VAL A 70 0.394 -1.467 2.548 1.00 0.00 C ATOM 968 C VAL A 70 0.584 -2.152 3.903 1.00 0.00 C ATOM 969 O VAL A 70 -0.358 -2.720 4.453 1.00 0.00 O ATOM 970 CB VAL A 70 -0.607 -0.311 2.599 1.00 0.00 C ATOM 971 CG1 VAL A 70 -1.954 -0.775 3.157 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.051 0.860 3.411 1.00 0.00 C ATOM 0 H VAL A 70 -1.044 -2.534 1.459 1.00 0.00 H new ATOM 0 HA VAL A 70 1.354 -1.037 2.263 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.770 0.036 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.647 0.066 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.360 -1.561 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.816 -1.162 4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.782 1.668 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.155 0.531 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.871 1.216 2.951 1.00 0.00 H new ATOM 982 N MET A 71 1.809 -2.076 4.402 1.00 0.00 N ATOM 983 CA MET A 71 2.135 -2.682 5.682 1.00 0.00 C ATOM 984 C MET A 71 1.780 -1.745 6.838 1.00 0.00 C ATOM 985 O MET A 71 1.493 -2.200 7.944 1.00 0.00 O ATOM 986 CB MET A 71 3.630 -3.006 5.727 1.00 0.00 C ATOM 987 CG MET A 71 4.087 -3.669 4.427 1.00 0.00 C ATOM 988 SD MET A 71 4.402 -5.404 4.704 1.00 0.00 S ATOM 989 CE MET A 71 2.744 -6.048 4.551 1.00 0.00 C ATOM 0 H MET A 71 2.588 -1.604 3.943 1.00 0.00 H new ATOM 0 HA MET A 71 1.553 -3.597 5.789 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.199 -2.091 5.892 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.837 -3.667 6.569 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.323 -3.548 3.659 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.989 -3.181 4.058 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.785 -7.128 4.412 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.180 -5.819 5.455 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.254 -5.590 3.692 1.00 0.00 H new ATOM 999 N ALA A 72 1.810 -0.454 6.542 1.00 0.00 N ATOM 1000 CA ALA A 72 1.495 0.551 7.543 1.00 0.00 C ATOM 1001 C ALA A 72 0.786 1.729 6.872 1.00 0.00 C ATOM 1002 O ALA A 72 0.876 1.901 5.657 1.00 0.00 O ATOM 1003 CB ALA A 72 2.777 0.975 8.262 1.00 0.00 C ATOM 0 H ALA A 72 2.048 -0.081 5.623 1.00 0.00 H new ATOM 0 HA ALA A 72 0.819 0.144 8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.541 1.729 9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.226 0.108 8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.479 1.390 7.539 1.00 0.00 H new ATOM 1009 N ILE A 73 0.098 2.510 7.692 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.625 3.666 7.192 1.00 0.00 C ATOM 1011 C ILE A 73 -0.126 4.923 7.908 1.00 0.00 C ATOM 1012 O ILE A 73 -0.601 6.025 7.639 1.00 0.00 O ATOM 1013 CB ILE A 73 -2.135 3.448 7.314 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -2.670 2.641 6.130 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.870 4.780 7.479 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -4.185 2.458 6.231 1.00 0.00 C ATOM 0 H ILE A 73 0.026 2.365 8.699 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.431 3.806 6.129 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.324 2.863 8.214 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.423 3.149 5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.184 1.666 6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.941 4.596 7.563 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.516 5.282 8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.677 5.412 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.540 1.881 5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.427 1.928 7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.670 3.434 6.236 1.00 0.00 H new ATOM 1028 N ASN A 74 0.826 4.715 8.806 1.00 0.00 N ATOM 1029 CA ASN A 74 1.396 5.817 9.562 1.00 0.00 C ATOM 1030 C ASN A 74 2.228 5.260 10.718 1.00 0.00 C ATOM 1031 O ASN A 74 2.160 5.766 11.837 1.00 0.00 O ATOM 1032 CB ASN A 74 0.298 6.704 10.154 1.00 0.00 C ATOM 1033 CG ASN A 74 -0.878 5.861 10.653 1.00 0.00 C ATOM 1034 OD1 ASN A 74 -0.837 4.642 10.672 1.00 0.00 O ATOM 1035 ND2 ASN A 74 -1.925 6.577 11.053 1.00 0.00 N ATOM 0 H ASN A 74 1.217 3.799 9.027 1.00 0.00 H new ATOM 0 HA ASN A 74 2.012 6.408 8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.704 7.291 10.977 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.050 7.410 9.400 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.760 6.108 11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.893 7.596 11.010 1.00 0.00 H new ATOM 1042 N GLY A 75 2.996 4.226 10.408 1.00 0.00 N ATOM 1043 CA GLY A 75 3.841 3.595 11.408 1.00 0.00 C ATOM 1044 C GLY A 75 3.178 2.336 11.971 1.00 0.00 C ATOM 1045 O GLY A 75 3.843 1.326 12.193 1.00 0.00 O ATOM 0 H GLY A 75 3.051 3.809 9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.803 3.337 10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.040 4.298 12.217 1.00 0.00 H new ATOM 1049 N ILE A 76 1.874 2.439 12.186 1.00 0.00 N ATOM 1050 CA ILE A 76 1.114 1.321 12.719 1.00 0.00 C ATOM 1051 C ILE A 76 1.123 0.174 11.707 1.00 0.00 C ATOM 1052 O ILE A 76 0.941 0.395 10.511 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.291 1.773 13.123 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.229 2.904 14.152 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -1.126 0.592 13.621 1.00 0.00 C ATOM 1056 CD1 ILE A 76 0.063 2.358 15.551 1.00 0.00 C ATOM 0 H ILE A 76 1.325 3.279 12.001 1.00 0.00 H new ATOM 0 HA ILE A 76 1.578 0.945 13.631 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.789 2.169 12.238 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.545 3.617 13.867 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.175 3.446 14.159 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.120 0.942 13.901 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.213 -0.152 12.829 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.641 0.143 14.488 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.102 3.183 16.263 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.725 1.664 15.842 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.021 1.838 15.546 1.00 0.00 H new ATOM 1068 N PRO A 77 1.344 -1.059 12.238 1.00 0.00 N ATOM 1069 CA PRO A 77 1.380 -2.241 11.394 1.00 0.00 C ATOM 1070 C PRO A 77 -0.029 -2.644 10.955 1.00 0.00 C ATOM 1071 O PRO A 77 -0.709 -3.395 11.652 1.00 0.00 O ATOM 1072 CB PRO A 77 2.067 -3.304 12.235 1.00 0.00 C ATOM 1073 CG PRO A 77 1.973 -2.822 13.674 1.00 0.00 C ATOM 1074 CD PRO A 77 1.565 -1.358 13.649 1.00 0.00 C ATOM 0 HA PRO A 77 1.922 -2.077 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.580 -4.272 12.115 1.00 0.00 H new ATOM 0 HB3 PRO A 77 3.107 -3.430 11.932 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.243 -3.412 14.227 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.931 -2.943 14.180 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.662 -1.188 14.236 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.344 -0.723 14.071 1.00 0.00 H new ATOM 1082 N THR A 78 -0.426 -2.127 9.801 1.00 0.00 N ATOM 1083 CA THR A 78 -1.741 -2.424 9.261 1.00 0.00 C ATOM 1084 C THR A 78 -1.973 -3.936 9.221 1.00 0.00 C ATOM 1085 O THR A 78 -1.581 -4.602 8.264 1.00 0.00 O ATOM 1086 CB THR A 78 -1.851 -1.756 7.889 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.760 -2.299 7.150 1.00 0.00 O ATOM 1088 CG2 THR A 78 -1.554 -0.256 7.943 1.00 0.00 C ATOM 0 H THR A 78 0.141 -1.504 9.225 1.00 0.00 H new ATOM 0 HA THR A 78 -2.529 -2.023 9.898 1.00 0.00 H new ATOM 0 HB THR A 78 -2.852 -1.914 7.488 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.105 -2.684 7.769 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.646 0.169 6.944 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.264 0.232 8.611 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.541 -0.099 8.312 1.00 0.00 H new ATOM 1096 N GLU A 79 -2.608 -4.433 10.272 1.00 0.00 N ATOM 1097 CA GLU A 79 -2.896 -5.854 10.368 1.00 0.00 C ATOM 1098 C GLU A 79 -3.754 -6.139 11.603 1.00 0.00 C ATOM 1099 O GLU A 79 -3.611 -7.184 12.235 1.00 0.00 O ATOM 1100 CB GLU A 79 -1.605 -6.675 10.396 1.00 0.00 C ATOM 1101 CG GLU A 79 -1.792 -8.014 9.681 1.00 0.00 C ATOM 1102 CD GLU A 79 -0.491 -8.464 9.012 1.00 0.00 C ATOM 1103 OE1 GLU A 79 0.397 -8.933 9.756 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -0.415 -8.330 7.772 1.00 0.00 O ATOM 0 H GLU A 79 -2.931 -3.877 11.064 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.457 -6.152 9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.802 -6.113 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.303 -6.849 11.429 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.118 -8.770 10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.578 -7.924 8.932 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.626 -5.190 11.910 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.507 -5.326 13.058 1.00 0.00 C ATOM 1113 C ASP A 80 -6.570 -4.227 13.012 1.00 0.00 C ATOM 1114 O ASP A 80 -6.530 -3.355 12.145 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.730 -5.178 14.368 1.00 0.00 C ATOM 1116 CG ASP A 80 -5.218 -6.068 15.512 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -5.377 -7.282 15.259 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -5.420 -5.516 16.615 1.00 0.00 O ATOM 0 H ASP A 80 -4.741 -4.324 11.384 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.963 -6.315 13.019 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.680 -5.400 14.177 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.783 -4.138 14.689 1.00 0.00 H new ATOM 1123 N SER A 81 -7.497 -4.305 13.956 1.00 0.00 N ATOM 1124 CA SER A 81 -8.569 -3.328 14.034 1.00 0.00 C ATOM 1125 C SER A 81 -9.647 -3.649 12.997 1.00 0.00 C ATOM 1126 O SER A 81 -9.833 -4.808 12.629 1.00 0.00 O ATOM 1127 CB SER A 81 -8.038 -1.908 13.824 1.00 0.00 C ATOM 1128 OG SER A 81 -6.642 -1.815 14.096 1.00 0.00 O ATOM 0 H SER A 81 -7.527 -5.030 14.673 1.00 0.00 H new ATOM 0 HA SER A 81 -9.006 -3.380 15.031 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.229 -1.598 12.797 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.580 -1.219 14.471 1.00 0.00 H new ATOM 0 HG SER A 81 -6.304 -0.950 13.782 1.00 0.00 H new ATOM 1134 N THR A 82 -10.329 -2.603 12.555 1.00 0.00 N ATOM 1135 CA THR A 82 -11.383 -2.760 11.567 1.00 0.00 C ATOM 1136 C THR A 82 -11.026 -2.011 10.282 1.00 0.00 C ATOM 1137 O THR A 82 -10.216 -1.085 10.303 1.00 0.00 O ATOM 1138 CB THR A 82 -12.696 -2.291 12.199 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.426 -0.953 12.607 1.00 0.00 O ATOM 1140 CG2 THR A 82 -13.012 -3.024 13.504 1.00 0.00 C ATOM 0 H THR A 82 -10.172 -1.643 12.863 1.00 0.00 H new ATOM 0 HA THR A 82 -11.500 -3.804 11.275 1.00 0.00 H new ATOM 0 HB THR A 82 -13.513 -2.440 11.493 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.225 -0.571 13.026 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.953 -2.654 13.911 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.096 -4.093 13.310 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.212 -2.848 14.223 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.648 -2.439 9.193 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.405 -1.820 7.901 1.00 0.00 C ATOM 1150 C PHE A 83 -11.567 -0.301 7.981 1.00 0.00 C ATOM 1151 O PHE A 83 -10.935 0.435 7.225 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.449 -2.382 6.933 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.811 -1.433 5.789 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.728 -0.448 5.987 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -12.216 -1.574 4.574 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -14.064 0.433 4.925 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.552 -0.693 3.512 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.468 0.292 3.710 1.00 0.00 C ATOM 0 H PHE A 83 -12.320 -3.207 9.179 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.388 -2.033 7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -12.074 -3.315 6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.354 -2.624 7.491 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -14.200 -0.336 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.488 -2.356 4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.792 1.215 5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.080 -0.805 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.723 0.963 2.903 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.417 0.124 8.905 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.670 1.542 9.094 1.00 0.00 C ATOM 1170 C GLU A 84 -11.440 2.225 9.695 1.00 0.00 C ATOM 1171 O GLU A 84 -11.152 3.379 9.382 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.905 1.767 9.969 1.00 0.00 C ATOM 1173 CG GLU A 84 -15.186 1.715 9.134 1.00 0.00 C ATOM 1174 CD GLU A 84 -16.423 1.894 10.016 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -16.413 1.326 11.130 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -17.351 2.594 9.557 1.00 0.00 O ATOM 0 H GLU A 84 -12.939 -0.489 9.531 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.870 1.989 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.945 1.008 10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.831 2.733 10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.161 2.496 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.244 0.761 8.609 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.749 1.483 10.548 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.557 2.003 11.196 1.00 0.00 C ATOM 1185 C GLU A 85 -8.611 2.610 10.158 1.00 0.00 C ATOM 1186 O GLU A 85 -8.368 3.816 10.165 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.854 0.913 12.007 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.498 1.415 13.408 1.00 0.00 C ATOM 1189 CD GLU A 85 -6.981 1.479 13.597 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -6.301 0.589 13.043 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -6.535 2.418 14.292 1.00 0.00 O ATOM 0 H GLU A 85 -10.992 0.526 10.805 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.857 2.789 11.889 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.500 0.038 12.084 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.949 0.596 11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.930 2.403 13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.934 0.754 14.157 1.00 0.00 H new ATOM 1198 N ALA A 86 -8.102 1.747 9.291 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.188 2.183 8.249 1.00 0.00 C ATOM 1200 C ALA A 86 -7.708 3.483 7.632 1.00 0.00 C ATOM 1201 O ALA A 86 -6.934 4.403 7.372 1.00 0.00 O ATOM 1202 CB ALA A 86 -7.026 1.069 7.213 1.00 0.00 C ATOM 0 H ALA A 86 -8.305 0.747 9.289 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.201 2.387 8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.340 1.396 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.626 0.178 7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.996 0.839 6.772 1.00 0.00 H new ATOM 1208 N ASN A 87 -9.014 3.517 7.416 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.647 4.689 6.835 1.00 0.00 C ATOM 1210 C ASN A 87 -9.593 5.843 7.838 1.00 0.00 C ATOM 1211 O ASN A 87 -9.305 6.980 7.467 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.116 4.416 6.506 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.571 5.243 5.303 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.695 6.456 5.361 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -11.813 4.523 4.211 1.00 0.00 N ATOM 0 H ASN A 87 -9.652 2.751 7.633 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.113 4.941 5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.254 3.355 6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.736 4.653 7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.122 4.983 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.689 3.511 4.230 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.874 5.511 9.089 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.861 6.505 10.148 1.00 0.00 C ATOM 1224 C GLN A 88 -8.458 7.096 10.305 1.00 0.00 C ATOM 1225 O GLN A 88 -8.309 8.261 10.670 1.00 0.00 O ATOM 1226 CB GLN A 88 -10.354 5.907 11.468 1.00 0.00 C ATOM 1227 CG GLN A 88 -11.863 5.654 11.424 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.616 6.906 10.970 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -13.339 6.731 9.867 1.00 0.00 O flip ATOM 1230 NE2 GLN A 88 -12.546 7.960 11.580 1.00 0.00 N flip ATOM 0 H GLN A 88 -10.112 4.567 9.393 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.544 7.309 9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.830 4.972 11.666 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.119 6.584 12.289 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.077 4.830 10.744 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.214 5.352 12.411 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.972 8.026 12.420 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.062 8.776 11.250 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.466 6.265 10.021 1.00 0.00 N ATOM 1240 CA LEU A 89 -6.081 6.691 10.125 1.00 0.00 C ATOM 1241 C LEU A 89 -5.864 7.929 9.252 1.00 0.00 C ATOM 1242 O LEU A 89 -5.175 8.864 9.655 1.00 0.00 O ATOM 1243 CB LEU A 89 -5.138 5.532 9.794 1.00 0.00 C ATOM 1244 CG LEU A 89 -5.242 4.303 10.699 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.911 3.552 10.759 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.747 4.687 12.091 1.00 0.00 C ATOM 0 H LEU A 89 -7.594 5.299 9.719 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.848 6.979 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.326 5.219 8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.113 5.901 9.833 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.976 3.623 10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.013 2.683 11.409 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.632 3.225 9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.138 4.212 11.154 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.811 3.795 12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.056 5.397 12.545 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.734 5.143 12.007 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.467 7.894 8.073 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.349 9.001 7.140 1.00 0.00 C ATOM 1260 C LEU A 90 -6.985 10.250 7.754 1.00 0.00 C ATOM 1261 O LEU A 90 -6.341 11.293 7.856 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.934 8.619 5.778 1.00 0.00 C ATOM 1263 CG LEU A 90 -6.170 7.549 4.996 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.484 7.634 3.501 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.668 7.636 5.273 1.00 0.00 C ATOM 0 H LEU A 90 -7.039 7.117 7.743 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.300 9.234 6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.956 8.271 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.991 9.518 5.164 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.504 6.570 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.928 6.863 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.552 7.485 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.195 8.615 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.148 6.865 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.299 8.617 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.485 7.488 6.337 1.00 0.00 H new ATOM 1277 N ARG A 91 -8.242 10.103 8.147 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.972 11.206 8.748 1.00 0.00 C ATOM 1279 C ARG A 91 -8.174 11.800 9.910 1.00 0.00 C ATOM 1280 O ARG A 91 -8.400 12.944 10.303 1.00 0.00 O ATOM 1281 CB ARG A 91 -10.339 10.748 9.259 1.00 0.00 C ATOM 1282 CG ARG A 91 -11.216 10.248 8.109 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.097 9.081 8.558 1.00 0.00 C ATOM 1284 NE ARG A 91 -13.471 9.255 8.036 1.00 0.00 N ATOM 1285 CZ ARG A 91 -13.819 9.059 6.757 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -12.896 8.682 5.862 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -15.090 9.240 6.373 1.00 0.00 N ATOM 0 H ARG A 91 -8.773 9.237 8.061 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.120 11.964 7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.209 9.953 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.836 11.574 9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.843 11.062 7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.586 9.933 7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.679 8.140 8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.117 9.027 9.646 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.198 9.542 8.691 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.929 8.544 6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.161 8.533 4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.793 9.527 7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.355 9.091 5.399 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.255 10.997 10.427 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.422 11.429 11.536 1.00 0.00 C ATOM 1303 C ASP A 92 -5.136 12.052 10.990 1.00 0.00 C ATOM 1304 O ASP A 92 -4.764 13.158 11.379 1.00 0.00 O ATOM 1305 CB ASP A 92 -6.034 10.247 12.427 1.00 0.00 C ATOM 1306 CG ASP A 92 -4.827 10.490 13.334 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -3.699 10.480 12.794 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -5.058 10.681 14.548 1.00 0.00 O ATOM 0 H ASP A 92 -7.069 10.050 10.098 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.990 12.151 12.123 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.890 9.984 13.049 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.825 9.386 11.792 1.00 0.00 H new ATOM 1313 N SER A 93 -4.492 11.315 10.097 1.00 0.00 N ATOM 1314 CA SER A 93 -3.256 11.781 9.493 1.00 0.00 C ATOM 1315 C SER A 93 -3.418 13.227 9.018 1.00 0.00 C ATOM 1316 O SER A 93 -2.441 13.970 8.936 1.00 0.00 O ATOM 1317 CB SER A 93 -2.839 10.883 8.326 1.00 0.00 C ATOM 1318 OG SER A 93 -2.074 9.763 8.762 1.00 0.00 O ATOM 0 H SER A 93 -4.803 10.398 9.777 1.00 0.00 H new ATOM 0 HA SER A 93 -2.470 11.738 10.247 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.728 10.533 7.802 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.256 11.464 7.611 1.00 0.00 H new ATOM 0 HG SER A 93 -2.598 8.943 8.644 1.00 0.00 H new ATOM 1324 N SER A 94 -4.658 13.582 8.718 1.00 0.00 N ATOM 1325 CA SER A 94 -4.961 14.925 8.254 1.00 0.00 C ATOM 1326 C SER A 94 -4.488 15.953 9.284 1.00 0.00 C ATOM 1327 O SER A 94 -4.290 17.122 8.954 1.00 0.00 O ATOM 1328 CB SER A 94 -6.458 15.091 7.986 1.00 0.00 C ATOM 1329 OG SER A 94 -7.163 15.523 9.147 1.00 0.00 O ATOM 0 H SER A 94 -5.465 12.963 8.787 1.00 0.00 H new ATOM 0 HA SER A 94 -4.432 15.090 7.316 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.605 15.813 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.872 14.143 7.642 1.00 0.00 H new ATOM 0 HG SER A 94 -7.604 14.755 9.567 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.322 15.482 10.511 1.00 0.00 N ATOM 1336 CA ILE A 95 -3.877 16.346 11.591 1.00 0.00 C ATOM 1337 C ILE A 95 -2.524 16.959 11.223 1.00 0.00 C ATOM 1338 O ILE A 95 -2.417 18.170 11.039 1.00 0.00 O ATOM 1339 CB ILE A 95 -3.866 15.583 12.917 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.280 15.454 13.487 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -2.903 16.231 13.914 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.374 14.276 14.459 1.00 0.00 C ATOM 0 H ILE A 95 -4.488 14.513 10.781 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.574 17.172 11.731 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.502 14.573 12.727 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.555 16.376 14.000 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.993 15.317 12.674 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.914 15.669 14.848 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.894 16.228 13.500 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.213 17.258 14.105 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.389 14.207 14.850 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.122 13.353 13.937 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.678 14.428 15.284 1.00 0.00 H new ATOM 1354 N THR A 96 -1.525 16.094 11.126 1.00 0.00 N ATOM 1355 CA THR A 96 -0.184 16.535 10.784 1.00 0.00 C ATOM 1356 C THR A 96 -0.100 16.884 9.296 1.00 0.00 C ATOM 1357 O THR A 96 0.909 17.413 8.835 1.00 0.00 O ATOM 1358 CB THR A 96 0.797 15.440 11.206 1.00 0.00 C ATOM 1359 OG1 THR A 96 2.076 15.967 10.863 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.671 14.179 10.349 1.00 0.00 C ATOM 0 H THR A 96 -1.618 15.090 11.278 1.00 0.00 H new ATOM 0 HA THR A 96 0.078 17.449 11.316 1.00 0.00 H new ATOM 0 HB THR A 96 0.628 15.186 12.252 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.969 16.680 10.199 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.389 13.434 10.690 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.338 13.778 10.438 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.872 14.426 9.307 1.00 0.00 H new ATOM 1368 N SER A 97 -1.176 16.574 8.587 1.00 0.00 N ATOM 1369 CA SER A 97 -1.237 16.848 7.162 1.00 0.00 C ATOM 1370 C SER A 97 -0.219 15.981 6.418 1.00 0.00 C ATOM 1371 O SER A 97 0.194 16.316 5.309 1.00 0.00 O ATOM 1372 CB SER A 97 -0.985 18.329 6.874 1.00 0.00 C ATOM 1373 OG SER A 97 -2.192 19.033 6.599 1.00 0.00 O ATOM 0 H SER A 97 -2.012 16.136 8.973 1.00 0.00 H new ATOM 0 HA SER A 97 -2.239 16.603 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.487 18.785 7.730 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.309 18.423 6.024 1.00 0.00 H new ATOM 0 HG SER A 97 -1.988 19.975 6.422 1.00 0.00 H new ATOM 1379 N LYS A 98 0.157 14.884 7.059 1.00 0.00 N ATOM 1380 CA LYS A 98 1.119 13.967 6.471 1.00 0.00 C ATOM 1381 C LYS A 98 0.786 12.538 6.907 1.00 0.00 C ATOM 1382 O LYS A 98 0.365 12.313 8.040 1.00 0.00 O ATOM 1383 CB LYS A 98 2.547 14.398 6.813 1.00 0.00 C ATOM 1384 CG LYS A 98 3.496 14.122 5.646 1.00 0.00 C ATOM 1385 CD LYS A 98 4.651 15.126 5.629 1.00 0.00 C ATOM 1386 CE LYS A 98 4.726 15.853 4.286 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.968 16.654 4.198 1.00 0.00 N ATOM 0 H LYS A 98 -0.187 14.610 7.979 1.00 0.00 H new ATOM 0 HA LYS A 98 1.055 13.992 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.562 15.461 7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.890 13.864 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.891 13.109 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.948 14.177 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.519 15.851 6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.591 14.608 5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.695 15.129 3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.858 16.502 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.003 17.141 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.982 17.358 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.793 16.027 4.289 1.00 0.00 H new ATOM 1401 N VAL A 99 0.988 11.610 5.983 1.00 0.00 N ATOM 1402 CA VAL A 99 0.715 10.210 6.257 1.00 0.00 C ATOM 1403 C VAL A 99 1.885 9.360 5.757 1.00 0.00 C ATOM 1404 O VAL A 99 2.519 9.695 4.758 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.624 9.807 5.637 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.566 9.880 4.110 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.047 8.412 6.103 1.00 0.00 C ATOM 0 H VAL A 99 1.338 11.801 5.044 1.00 0.00 H new ATOM 0 HA VAL A 99 0.625 10.041 7.330 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.377 10.517 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.531 9.588 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.332 10.899 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.206 9.204 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.002 8.150 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.292 7.685 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.149 8.406 7.188 1.00 0.00 H new ATOM 1417 N THR A 100 2.135 8.275 6.476 1.00 0.00 N ATOM 1418 CA THR A 100 3.218 7.374 6.118 1.00 0.00 C ATOM 1419 C THR A 100 2.660 6.020 5.674 1.00 0.00 C ATOM 1420 O THR A 100 2.289 5.194 6.506 1.00 0.00 O ATOM 1421 CB THR A 100 4.167 7.277 7.314 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.248 8.613 7.802 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.601 6.945 6.898 1.00 0.00 C ATOM 0 H THR A 100 1.607 8.000 7.304 1.00 0.00 H new ATOM 0 HA THR A 100 3.783 7.753 5.266 1.00 0.00 H new ATOM 0 HB THR A 100 3.804 6.516 8.004 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.843 8.641 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.233 6.888 7.784 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.617 5.987 6.379 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.977 7.724 6.234 1.00 0.00 H new ATOM 1431 N LEU A 101 2.617 5.835 4.362 1.00 0.00 N ATOM 1432 CA LEU A 101 2.111 4.596 3.797 1.00 0.00 C ATOM 1433 C LEU A 101 3.288 3.692 3.425 1.00 0.00 C ATOM 1434 O LEU A 101 4.085 4.033 2.553 1.00 0.00 O ATOM 1435 CB LEU A 101 1.166 4.886 2.630 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.192 5.488 3.000 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.862 6.121 1.779 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.089 4.446 3.671 1.00 0.00 C ATOM 0 H LEU A 101 2.924 6.523 3.675 1.00 0.00 H new ATOM 0 HA LEU A 101 1.515 4.057 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.668 5.567 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.993 3.956 2.088 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.027 6.285 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.825 6.541 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.225 6.912 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.014 5.361 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.047 4.900 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.251 3.612 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.608 4.083 4.580 1.00 0.00 H new ATOM 1450 N GLU A 102 3.359 2.557 4.105 1.00 0.00 N ATOM 1451 CA GLU A 102 4.426 1.601 3.857 1.00 0.00 C ATOM 1452 C GLU A 102 3.952 0.519 2.885 1.00 0.00 C ATOM 1453 O GLU A 102 3.139 -0.331 3.245 1.00 0.00 O ATOM 1454 CB GLU A 102 4.924 0.984 5.165 1.00 0.00 C ATOM 1455 CG GLU A 102 6.428 0.708 5.103 1.00 0.00 C ATOM 1456 CD GLU A 102 7.154 1.362 6.280 1.00 0.00 C ATOM 1457 OE1 GLU A 102 7.499 2.556 6.141 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.349 0.654 7.291 1.00 0.00 O ATOM 0 H GLU A 102 2.695 2.278 4.827 1.00 0.00 H new ATOM 0 HA GLU A 102 5.264 2.130 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.708 1.657 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.388 0.055 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.605 -0.368 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.833 1.088 4.165 1.00 0.00 H new ATOM 1465 N ILE A 103 4.481 0.585 1.672 1.00 0.00 N ATOM 1466 CA ILE A 103 4.122 -0.379 0.646 1.00 0.00 C ATOM 1467 C ILE A 103 5.193 -1.471 0.581 1.00 0.00 C ATOM 1468 O ILE A 103 6.296 -1.294 1.096 1.00 0.00 O ATOM 1469 CB ILE A 103 3.882 0.326 -0.691 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.677 1.265 -0.606 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.739 -0.689 -1.828 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.386 0.481 -0.364 1.00 0.00 C ATOM 0 H ILE A 103 5.155 1.291 1.377 1.00 0.00 H new ATOM 0 HA ILE A 103 3.181 -0.869 0.896 1.00 0.00 H new ATOM 0 HB ILE A 103 4.754 0.940 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.827 1.983 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.591 1.837 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.569 -0.162 -2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.651 -1.281 -1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.895 -1.348 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.545 1.173 -0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.226 -0.219 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.465 -0.070 0.573 1.00 0.00 H new ATOM 1484 N GLU A 104 4.829 -2.574 -0.055 1.00 0.00 N ATOM 1485 CA GLU A 104 5.744 -3.694 -0.193 1.00 0.00 C ATOM 1486 C GLU A 104 5.754 -4.197 -1.638 1.00 0.00 C ATOM 1487 O GLU A 104 4.734 -4.148 -2.323 1.00 0.00 O ATOM 1488 CB GLU A 104 5.382 -4.821 0.776 1.00 0.00 C ATOM 1489 CG GLU A 104 6.142 -6.105 0.434 1.00 0.00 C ATOM 1490 CD GLU A 104 6.425 -6.927 1.692 1.00 0.00 C ATOM 1491 OE1 GLU A 104 6.988 -6.337 2.640 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.074 -8.126 1.678 1.00 0.00 O ATOM 0 H GLU A 104 3.913 -2.716 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 104 6.747 -3.350 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.616 -4.517 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.309 -5.008 0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.560 -6.700 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.081 -5.855 -0.060 1.00 0.00 H new ATOM 1499 N PHE A 105 6.919 -4.668 -2.059 1.00 0.00 N ATOM 1500 CA PHE A 105 7.075 -5.179 -3.411 1.00 0.00 C ATOM 1501 C PHE A 105 8.075 -6.337 -3.447 1.00 0.00 C ATOM 1502 O PHE A 105 8.622 -6.722 -2.415 1.00 0.00 O ATOM 1503 CB PHE A 105 7.613 -4.029 -4.264 1.00 0.00 C ATOM 1504 CG PHE A 105 8.905 -3.407 -3.728 1.00 0.00 C ATOM 1505 CD1 PHE A 105 10.105 -3.978 -4.017 1.00 0.00 C ATOM 1506 CD2 PHE A 105 8.852 -2.285 -2.962 1.00 0.00 C ATOM 1507 CE1 PHE A 105 11.303 -3.401 -3.519 1.00 0.00 C ATOM 1508 CE2 PHE A 105 10.050 -1.708 -2.464 1.00 0.00 C ATOM 1509 CZ PHE A 105 11.251 -2.278 -2.753 1.00 0.00 C ATOM 0 H PHE A 105 7.763 -4.707 -1.488 1.00 0.00 H new ATOM 0 HA PHE A 105 6.119 -5.548 -3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.790 -4.393 -5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.850 -3.254 -4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 105 10.147 -4.870 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 105 7.899 -1.833 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 105 12.256 -3.854 -3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.008 -0.817 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 105 12.162 -1.839 -2.375 1.00 0.00 H new ATOM 1519 N ASP A 106 8.283 -6.859 -4.647 1.00 0.00 N ATOM 1520 CA ASP A 106 9.207 -7.965 -4.831 1.00 0.00 C ATOM 1521 C ASP A 106 10.493 -7.447 -5.480 1.00 0.00 C ATOM 1522 O ASP A 106 10.474 -6.981 -6.618 1.00 0.00 O ATOM 1523 CB ASP A 106 8.611 -9.033 -5.750 1.00 0.00 C ATOM 1524 CG ASP A 106 7.694 -8.500 -6.852 1.00 0.00 C ATOM 1525 OD1 ASP A 106 6.506 -8.270 -6.540 1.00 0.00 O ATOM 1526 OD2 ASP A 106 8.202 -8.333 -7.982 1.00 0.00 O ATOM 0 H ASP A 106 7.828 -6.537 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 106 9.409 -8.402 -3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.427 -9.588 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.049 -9.742 -5.142 1.00 0.00 H new