USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 761 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 Set 1.1: A 97 TYR OH : rot 76:sc= 1.01 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0.238 USER MOD Set 2.1: A 29 GLN : amide:sc= -0.164 X(o=-0.55,f=-0.19) USER MOD Set 2.2: A 38 HIS : no HD1:sc= -0.384 X(o=-0.55,f=-0.19) USER MOD Single : A 14 THR OG1 : rot -156:sc= 0.536 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -164:sc= -0.194 (180deg=-0.648) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 102:sc= 0.234 USER MOD Single : A 35 GLN :FLIP amide:sc= 0.543 F(o=-0.033,f=0.54) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= -0.0117 (180deg=-0.136) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 177:sc=-0.00758 (180deg=-0.0692) USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0.687 (180deg=0.469) USER MOD Single : A 89 LYS NZ :NH3+ 145:sc= 0.659 (180deg=-0.0565) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -78:sc= 0.447 USER MOD Single : A 114 ASN : amide:sc= -0.403 X(o=-0.4,f=0.0018) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.360 -8.002 -2.039 1.00 0.00 N ATOM 181 CA THR A 14 8.197 -8.470 -1.282 1.00 0.00 C ATOM 182 C THR A 14 7.499 -9.615 -2.036 1.00 0.00 C ATOM 183 O THR A 14 7.044 -10.589 -1.433 1.00 0.00 O ATOM 184 CB THR A 14 7.217 -7.326 -0.931 1.00 0.00 C ATOM 185 OG1 THR A 14 6.247 -7.949 -0.125 1.00 0.00 O ATOM 186 CG2 THR A 14 6.581 -6.581 -2.122 1.00 0.00 C ATOM 0 HA THR A 14 8.556 -8.855 -0.328 1.00 0.00 H new ATOM 0 HB THR A 14 7.758 -6.518 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.412 -7.437 -0.162 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.914 -5.803 -1.750 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.365 -6.128 -2.728 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.013 -7.285 -2.730 1.00 0.00 H new ATOM 194 N SER A 15 7.461 -9.477 -3.357 1.00 0.00 N ATOM 195 CA SER A 15 6.868 -10.390 -4.315 1.00 0.00 C ATOM 196 C SER A 15 5.368 -10.535 -4.023 1.00 0.00 C ATOM 197 O SER A 15 4.864 -11.631 -3.751 1.00 0.00 O ATOM 198 CB SER A 15 7.644 -11.713 -4.317 1.00 0.00 C ATOM 199 OG SER A 15 9.023 -11.518 -4.571 1.00 0.00 O ATOM 0 H SER A 15 7.875 -8.664 -3.814 1.00 0.00 H new ATOM 0 HA SER A 15 6.942 -9.999 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.519 -12.208 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.226 -12.377 -5.074 1.00 0.00 H new ATOM 0 HG SER A 15 9.483 -12.383 -4.562 1.00 0.00 H new ATOM 205 N GLU A 16 4.665 -9.404 -3.953 1.00 0.00 N ATOM 206 CA GLU A 16 3.236 -9.306 -3.710 1.00 0.00 C ATOM 207 C GLU A 16 2.713 -8.064 -4.432 1.00 0.00 C ATOM 208 O GLU A 16 3.489 -7.205 -4.857 1.00 0.00 O ATOM 209 CB GLU A 16 2.934 -9.288 -2.201 1.00 0.00 C ATOM 210 CG GLU A 16 3.018 -7.940 -1.480 1.00 0.00 C ATOM 211 CD GLU A 16 3.017 -8.133 0.039 1.00 0.00 C ATOM 212 OE1 GLU A 16 2.301 -9.014 0.569 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.790 -7.436 0.735 1.00 0.00 O ATOM 0 H GLU A 16 5.103 -8.491 -4.071 1.00 0.00 H new ATOM 0 HA GLU A 16 2.721 -10.182 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.930 -9.686 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.624 -9.975 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.924 -7.416 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.175 -7.314 -1.772 1.00 0.00 H new ATOM 220 N THR A 17 1.395 -7.942 -4.537 1.00 0.00 N ATOM 221 CA THR A 17 0.731 -6.833 -5.204 1.00 0.00 C ATOM 222 C THR A 17 -0.200 -6.138 -4.215 1.00 0.00 C ATOM 223 O THR A 17 -0.471 -6.668 -3.134 1.00 0.00 O ATOM 224 CB THR A 17 0.049 -7.404 -6.456 1.00 0.00 C ATOM 225 OG1 THR A 17 -0.099 -6.452 -7.485 1.00 0.00 O ATOM 226 CG2 THR A 17 -1.292 -8.081 -6.160 1.00 0.00 C ATOM 0 H THR A 17 0.746 -8.628 -4.152 1.00 0.00 H new ATOM 0 HA THR A 17 1.417 -6.054 -5.538 1.00 0.00 H new ATOM 0 HB THR A 17 0.733 -8.175 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.536 -6.869 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.720 -8.462 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.137 -8.907 -5.466 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.975 -7.357 -5.716 1.00 0.00 H new ATOM 234 N MET A 18 -0.726 -4.970 -4.596 1.00 0.00 N ATOM 235 CA MET A 18 -1.611 -4.176 -3.750 1.00 0.00 C ATOM 236 C MET A 18 -2.814 -4.971 -3.250 1.00 0.00 C ATOM 237 O MET A 18 -3.217 -4.840 -2.097 1.00 0.00 O ATOM 238 CB MET A 18 -2.128 -2.952 -4.517 1.00 0.00 C ATOM 239 CG MET A 18 -1.089 -1.833 -4.626 1.00 0.00 C ATOM 240 SD MET A 18 -1.634 -0.271 -3.896 1.00 0.00 S ATOM 241 CE MET A 18 -1.719 -0.745 -2.155 1.00 0.00 C ATOM 0 H MET A 18 -0.546 -4.549 -5.508 1.00 0.00 H new ATOM 0 HA MET A 18 -1.017 -3.870 -2.889 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.430 -3.258 -5.518 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.018 -2.567 -4.019 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.169 -2.153 -4.136 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.850 -1.670 -5.677 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.300 -0.005 -1.605 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.196 -1.721 -2.066 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.712 -0.795 -1.742 1.00 0.00 H new ATOM 251 N GLU A 19 -3.387 -5.795 -4.123 1.00 0.00 N ATOM 252 CA GLU A 19 -4.545 -6.607 -3.807 1.00 0.00 C ATOM 253 C GLU A 19 -4.243 -7.580 -2.666 1.00 0.00 C ATOM 254 O GLU A 19 -5.076 -7.704 -1.773 1.00 0.00 O ATOM 255 CB GLU A 19 -5.047 -7.311 -5.074 1.00 0.00 C ATOM 256 CG GLU A 19 -5.614 -6.277 -6.061 1.00 0.00 C ATOM 257 CD GLU A 19 -6.358 -6.918 -7.234 1.00 0.00 C ATOM 258 OE1 GLU A 19 -7.402 -7.562 -6.975 1.00 0.00 O ATOM 259 OE2 GLU A 19 -5.902 -6.728 -8.380 1.00 0.00 O ATOM 0 H GLU A 19 -3.052 -5.915 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.349 -5.964 -3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.231 -7.862 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.816 -8.039 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.291 -5.609 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.799 -5.665 -6.446 1.00 0.00 H new ATOM 266 N SER A 20 -3.072 -8.231 -2.661 1.00 0.00 N ATOM 267 CA SER A 20 -2.679 -9.189 -1.623 1.00 0.00 C ATOM 268 C SER A 20 -2.605 -8.509 -0.259 1.00 0.00 C ATOM 269 O SER A 20 -2.966 -9.107 0.755 1.00 0.00 O ATOM 270 CB SER A 20 -1.326 -9.816 -2.006 1.00 0.00 C ATOM 271 OG SER A 20 -0.893 -10.825 -1.109 1.00 0.00 O ATOM 0 H SER A 20 -2.365 -8.105 -3.385 1.00 0.00 H new ATOM 0 HA SER A 20 -3.429 -9.976 -1.551 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.402 -10.240 -3.007 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.571 -9.031 -2.049 1.00 0.00 H new ATOM 0 HG SER A 20 -0.031 -11.182 -1.409 1.00 0.00 H new ATOM 277 N LEU A 21 -2.158 -7.253 -0.225 1.00 0.00 N ATOM 278 CA LEU A 21 -2.048 -6.492 1.009 1.00 0.00 C ATOM 279 C LEU A 21 -3.425 -6.378 1.632 1.00 0.00 C ATOM 280 O LEU A 21 -3.638 -6.781 2.774 1.00 0.00 O ATOM 281 CB LEU A 21 -1.526 -5.075 0.729 1.00 0.00 C ATOM 282 CG LEU A 21 -0.246 -4.996 -0.101 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.245 -3.543 -0.119 1.00 0.00 C ATOM 284 CD2 LEU A 21 0.795 -5.977 0.428 1.00 0.00 C ATOM 0 H LEU A 21 -1.863 -6.739 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.354 -7.003 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.307 -4.514 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.351 -4.576 1.682 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.439 -5.292 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.159 -3.475 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.521 -2.906 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.446 -3.214 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.700 -5.907 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.030 -5.735 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.400 -6.991 0.373 1.00 0.00 H new ATOM 296 N ILE A 22 -4.375 -5.886 0.847 1.00 0.00 N ATOM 297 CA ILE A 22 -5.736 -5.690 1.296 1.00 0.00 C ATOM 298 C ILE A 22 -6.388 -7.030 1.621 1.00 0.00 C ATOM 299 O ILE A 22 -7.146 -7.112 2.583 1.00 0.00 O ATOM 300 CB ILE A 22 -6.506 -4.899 0.228 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.831 -3.554 -0.113 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.915 -4.639 0.751 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.359 -2.958 -1.411 1.00 0.00 C ATOM 0 H ILE A 22 -4.216 -5.612 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.750 -5.109 2.218 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.523 -5.490 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.997 -2.849 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.754 -3.700 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.481 -4.078 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.413 -5.589 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.860 -4.064 1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.854 -2.012 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.170 -3.649 -2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.432 -2.785 -1.322 1.00 0.00 H new ATOM 315 N ASP A 23 -6.086 -8.073 0.849 1.00 0.00 N ATOM 316 CA ASP A 23 -6.631 -9.417 1.042 1.00 0.00 C ATOM 317 C ASP A 23 -6.266 -9.948 2.431 1.00 0.00 C ATOM 318 O ASP A 23 -7.005 -10.760 2.988 1.00 0.00 O ATOM 319 CB ASP A 23 -6.148 -10.357 -0.070 1.00 0.00 C ATOM 320 CG ASP A 23 -7.071 -11.559 -0.246 1.00 0.00 C ATOM 321 OD1 ASP A 23 -6.870 -12.599 0.416 1.00 0.00 O ATOM 322 OD2 ASP A 23 -7.995 -11.481 -1.090 1.00 0.00 O ATOM 0 H ASP A 23 -5.445 -8.007 0.058 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.718 -9.369 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.087 -9.806 -1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.141 -10.704 0.161 1.00 0.00 H new ATOM 327 N LYS A 24 -5.154 -9.466 3.008 1.00 0.00 N ATOM 328 CA LYS A 24 -4.695 -9.861 4.340 1.00 0.00 C ATOM 329 C LYS A 24 -4.988 -8.767 5.374 1.00 0.00 C ATOM 330 O LYS A 24 -4.974 -9.045 6.572 1.00 0.00 O ATOM 331 CB LYS A 24 -3.181 -10.188 4.257 1.00 0.00 C ATOM 332 CG LYS A 24 -2.218 -9.159 4.891 1.00 0.00 C ATOM 333 CD LYS A 24 -1.979 -9.416 6.400 1.00 0.00 C ATOM 334 CE LYS A 24 -2.204 -8.172 7.285 1.00 0.00 C ATOM 335 NZ LYS A 24 -2.031 -8.426 8.731 1.00 0.00 N ATOM 0 H LYS A 24 -4.545 -8.785 2.555 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.236 -10.747 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.013 -11.153 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.914 -10.303 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.263 -9.189 4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.624 -8.156 4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.644 -10.213 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.959 -9.772 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.510 -7.390 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.211 -7.792 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.198 -7.546 9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.711 -9.150 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.063 -8.760 8.911 1.00 0.00 H new ATOM 349 N GLY A 25 -5.335 -7.550 4.951 1.00 0.00 N ATOM 350 CA GLY A 25 -5.625 -6.433 5.833 1.00 0.00 C ATOM 351 C GLY A 25 -4.386 -5.601 6.151 1.00 0.00 C ATOM 352 O GLY A 25 -4.221 -5.166 7.287 1.00 0.00 O ATOM 0 H GLY A 25 -5.422 -7.315 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.378 -5.795 5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.054 -6.810 6.762 1.00 0.00 H new ATOM 356 N LYS A 26 -3.458 -5.406 5.212 1.00 0.00 N ATOM 357 CA LYS A 26 -2.234 -4.619 5.434 1.00 0.00 C ATOM 358 C LYS A 26 -2.521 -3.140 5.116 1.00 0.00 C ATOM 359 O LYS A 26 -1.898 -2.556 4.226 1.00 0.00 O ATOM 360 CB LYS A 26 -1.082 -5.185 4.572 1.00 0.00 C ATOM 361 CG LYS A 26 -0.118 -6.165 5.245 1.00 0.00 C ATOM 362 CD LYS A 26 1.191 -6.402 4.460 1.00 0.00 C ATOM 363 CE LYS A 26 1.322 -7.816 3.875 1.00 0.00 C ATOM 364 NZ LYS A 26 1.904 -8.746 4.866 1.00 0.00 N ATOM 0 H LYS A 26 -3.531 -5.790 4.270 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.923 -4.687 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.521 -5.683 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.500 -4.345 4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.129 -5.790 6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.625 -7.120 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.252 -5.677 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.038 -6.213 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.342 -8.177 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.949 -7.788 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.983 -9.695 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.849 -8.411 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.291 -8.787 5.705 1.00 0.00 H new ATOM 378 N LEU A 27 -3.470 -2.491 5.790 1.00 0.00 N ATOM 379 CA LEU A 27 -3.803 -1.078 5.510 1.00 0.00 C ATOM 380 C LEU A 27 -2.717 -0.104 5.977 1.00 0.00 C ATOM 381 O LEU A 27 -2.776 1.092 5.691 1.00 0.00 O ATOM 382 CB LEU A 27 -5.141 -0.638 6.140 1.00 0.00 C ATOM 383 CG LEU A 27 -6.431 -1.362 5.709 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.483 -1.648 4.203 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.618 -2.660 6.492 1.00 0.00 C ATOM 0 H LEU A 27 -4.026 -2.913 6.534 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.884 -1.036 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.048 -0.742 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.272 0.424 5.932 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.250 -0.680 5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.415 -2.159 3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.431 -0.709 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.640 -2.280 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.536 -3.151 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.770 -3.320 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.682 -2.437 7.557 1.00 0.00 H new ATOM 397 N ASP A 28 -1.720 -0.597 6.704 1.00 0.00 N ATOM 398 CA ASP A 28 -0.620 0.194 7.244 1.00 0.00 C ATOM 399 C ASP A 28 0.541 0.262 6.271 1.00 0.00 C ATOM 400 O ASP A 28 1.503 0.984 6.512 1.00 0.00 O ATOM 401 CB ASP A 28 -0.122 -0.448 8.546 1.00 0.00 C ATOM 402 CG ASP A 28 -1.062 -0.244 9.723 1.00 0.00 C ATOM 403 OD1 ASP A 28 -1.680 0.837 9.838 1.00 0.00 O ATOM 404 OD2 ASP A 28 -1.082 -1.131 10.611 1.00 0.00 O ATOM 0 H ASP A 28 -1.653 -1.587 6.941 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.990 1.203 7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.018 -1.517 8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.855 -0.033 8.796 1.00 0.00 H new ATOM 409 N GLN A 29 0.489 -0.474 5.164 1.00 0.00 N ATOM 410 CA GLN A 29 1.546 -0.496 4.176 1.00 0.00 C ATOM 411 C GLN A 29 0.953 -0.570 2.770 1.00 0.00 C ATOM 412 O GLN A 29 -0.236 -0.850 2.603 1.00 0.00 O ATOM 413 CB GLN A 29 2.534 -1.647 4.470 1.00 0.00 C ATOM 414 CG GLN A 29 1.951 -2.924 5.097 1.00 0.00 C ATOM 415 CD GLN A 29 2.422 -3.274 6.492 1.00 0.00 C ATOM 416 OE1 GLN A 29 1.619 -3.382 7.411 1.00 0.00 O ATOM 417 NE2 GLN A 29 3.710 -3.509 6.652 1.00 0.00 N ATOM 0 H GLN A 29 -0.301 -1.076 4.932 1.00 0.00 H new ATOM 0 HA GLN A 29 2.117 0.431 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.023 -1.921 3.535 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.309 -1.266 5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.866 -2.827 5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.183 -3.762 4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.349 -3.409 5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.067 -3.791 7.565 1.00 0.00 H new ATOM 426 N VAL A 30 1.777 -0.337 1.753 1.00 0.00 N ATOM 427 CA VAL A 30 1.381 -0.376 0.338 1.00 0.00 C ATOM 428 C VAL A 30 2.533 -0.863 -0.553 1.00 0.00 C ATOM 429 O VAL A 30 3.679 -0.824 -0.094 1.00 0.00 O ATOM 430 CB VAL A 30 0.930 1.020 -0.129 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.391 1.481 0.498 1.00 0.00 C ATOM 432 CG2 VAL A 30 1.996 2.084 0.129 1.00 0.00 C ATOM 0 H VAL A 30 2.762 -0.110 1.887 1.00 0.00 H new ATOM 0 HA VAL A 30 0.552 -1.079 0.248 1.00 0.00 H new ATOM 0 HB VAL A 30 0.773 0.910 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.646 2.472 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.183 0.779 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.285 1.520 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.634 3.053 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.208 2.135 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.907 1.824 -0.409 1.00 0.00 H new ATOM 442 N VAL A 31 2.244 -1.338 -1.779 1.00 0.00 N ATOM 443 CA VAL A 31 3.244 -1.777 -2.744 1.00 0.00 C ATOM 444 C VAL A 31 3.300 -0.677 -3.810 1.00 0.00 C ATOM 445 O VAL A 31 2.359 0.107 -3.959 1.00 0.00 O ATOM 446 CB VAL A 31 2.930 -3.129 -3.460 1.00 0.00 C ATOM 447 CG1 VAL A 31 4.044 -3.875 -4.170 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.262 -4.200 -2.600 1.00 0.00 C ATOM 0 H VAL A 31 1.288 -1.425 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 31 4.176 -1.945 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 31 2.263 -2.690 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.647 -4.790 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.460 -3.245 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.827 -4.126 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.091 -5.094 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.909 -4.446 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.308 -3.825 -2.228 1.00 0.00 H new ATOM 458 N TYR A 32 4.408 -0.589 -4.527 1.00 0.00 N ATOM 459 CA TYR A 32 4.635 0.352 -5.618 1.00 0.00 C ATOM 460 C TYR A 32 5.875 -0.157 -6.320 1.00 0.00 C ATOM 461 O TYR A 32 6.861 -0.417 -5.636 1.00 0.00 O ATOM 462 CB TYR A 32 4.860 1.810 -5.158 1.00 0.00 C ATOM 463 CG TYR A 32 5.522 2.718 -6.203 1.00 0.00 C ATOM 464 CD1 TYR A 32 5.099 2.726 -7.545 1.00 0.00 C ATOM 465 CD2 TYR A 32 6.643 3.493 -5.856 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.802 3.450 -8.528 1.00 0.00 C ATOM 467 CE2 TYR A 32 7.396 4.165 -6.831 1.00 0.00 C ATOM 468 CZ TYR A 32 7.006 4.099 -8.183 1.00 0.00 C ATOM 469 OH TYR A 32 7.852 4.541 -9.150 1.00 0.00 O ATOM 0 H TYR A 32 5.210 -1.196 -4.360 1.00 0.00 H new ATOM 0 HA TYR A 32 3.751 0.394 -6.254 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.898 2.241 -4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.478 1.802 -4.260 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.219 2.167 -7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.930 3.573 -4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.422 3.508 -9.537 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.271 4.730 -6.546 1.00 0.00 H new ATOM 0 HH TYR A 32 7.743 5.508 -9.262 1.00 0.00 H new ATOM 479 N ASP A 33 5.812 -0.340 -7.641 1.00 0.00 N ATOM 480 CA ASP A 33 6.936 -0.788 -8.467 1.00 0.00 C ATOM 481 C ASP A 33 7.619 -2.059 -7.940 1.00 0.00 C ATOM 482 O ASP A 33 8.828 -2.220 -8.099 1.00 0.00 O ATOM 483 CB ASP A 33 7.904 0.402 -8.568 1.00 0.00 C ATOM 484 CG ASP A 33 8.822 0.376 -9.782 1.00 0.00 C ATOM 485 OD1 ASP A 33 8.295 0.400 -10.918 1.00 0.00 O ATOM 486 OD2 ASP A 33 10.040 0.588 -9.595 1.00 0.00 O ATOM 0 H ASP A 33 4.960 -0.177 -8.178 1.00 0.00 H new ATOM 0 HA ASP A 33 6.576 -1.084 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.323 1.324 -8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.517 0.431 -7.667 1.00 0.00 H new ATOM 491 N ASP A 34 6.824 -2.962 -7.338 1.00 0.00 N ATOM 492 CA ASP A 34 7.210 -4.258 -6.739 1.00 0.00 C ATOM 493 C ASP A 34 7.933 -4.120 -5.393 1.00 0.00 C ATOM 494 O ASP A 34 8.707 -4.980 -4.967 1.00 0.00 O ATOM 495 CB ASP A 34 8.036 -5.097 -7.725 1.00 0.00 C ATOM 496 CG ASP A 34 7.866 -6.601 -7.509 1.00 0.00 C ATOM 497 OD1 ASP A 34 6.716 -7.042 -7.271 1.00 0.00 O ATOM 498 OD2 ASP A 34 8.833 -7.359 -7.749 1.00 0.00 O ATOM 0 H ASP A 34 5.822 -2.795 -7.250 1.00 0.00 H new ATOM 0 HA ASP A 34 6.278 -4.781 -6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.742 -4.845 -8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.090 -4.837 -7.623 1.00 0.00 H new ATOM 503 N GLN A 35 7.723 -2.991 -4.719 1.00 0.00 N ATOM 504 CA GLN A 35 8.348 -2.668 -3.446 1.00 0.00 C ATOM 505 C GLN A 35 7.277 -2.603 -2.394 1.00 0.00 C ATOM 506 O GLN A 35 6.114 -2.613 -2.752 1.00 0.00 O ATOM 507 CB GLN A 35 9.115 -1.341 -3.517 1.00 0.00 C ATOM 508 CG GLN A 35 10.061 -1.251 -4.736 1.00 0.00 C ATOM 509 CD GLN A 35 10.882 -2.504 -5.022 1.00 0.00 C ATOM 510 OE1 GLN A 35 11.648 -2.953 -4.050 1.00 0.00 O flip ATOM 511 NE2 GLN A 35 10.849 -3.076 -6.104 1.00 0.00 N flip ATOM 0 H GLN A 35 7.097 -2.259 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 35 9.073 -3.442 -3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.402 -0.518 -3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.696 -1.215 -2.604 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.466 -1.018 -5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.745 -0.416 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.252 -2.720 -6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.418 -3.908 -6.259 1.00 0.00 H new ATOM 520 N LEU A 36 7.650 -2.534 -1.119 1.00 0.00 N ATOM 521 CA LEU A 36 6.721 -2.481 -0.003 1.00 0.00 C ATOM 522 C LEU A 36 7.195 -1.404 0.951 1.00 0.00 C ATOM 523 O LEU A 36 8.377 -1.393 1.323 1.00 0.00 O ATOM 524 CB LEU A 36 6.687 -3.852 0.685 1.00 0.00 C ATOM 525 CG LEU A 36 5.487 -4.105 1.603 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.158 -4.131 0.852 1.00 0.00 C ATOM 527 CD2 LEU A 36 5.681 -5.475 2.242 1.00 0.00 C ATOM 0 H LEU A 36 8.628 -2.513 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 36 5.712 -2.243 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.702 -4.624 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.599 -3.967 1.270 1.00 0.00 H new ATOM 0 HG LEU A 36 5.444 -3.293 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.346 -4.314 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.001 -3.172 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.177 -4.925 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.842 -5.689 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.732 -6.236 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.608 -5.481 2.816 1.00 0.00 H new ATOM 539 N TYR A 37 6.283 -0.519 1.334 1.00 0.00 N ATOM 540 CA TYR A 37 6.575 0.582 2.240 1.00 0.00 C ATOM 541 C TYR A 37 5.588 0.599 3.399 1.00 0.00 C ATOM 542 O TYR A 37 4.395 0.372 3.186 1.00 0.00 O ATOM 543 CB TYR A 37 6.521 1.944 1.538 1.00 0.00 C ATOM 544 CG TYR A 37 7.143 2.067 0.165 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.424 1.558 -0.114 1.00 0.00 C ATOM 546 CD2 TYR A 37 6.437 2.750 -0.833 1.00 0.00 C ATOM 547 CE1 TYR A 37 9.011 1.735 -1.380 1.00 0.00 C ATOM 548 CE2 TYR A 37 7.010 2.931 -2.102 1.00 0.00 C ATOM 549 CZ TYR A 37 8.308 2.436 -2.379 1.00 0.00 C ATOM 550 OH TYR A 37 8.866 2.636 -3.601 1.00 0.00 O ATOM 0 H TYR A 37 5.312 -0.546 1.021 1.00 0.00 H new ATOM 0 HA TYR A 37 7.589 0.418 2.606 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.474 2.235 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.004 2.673 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.964 1.024 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.451 3.138 -0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.994 1.336 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.458 3.451 -2.871 1.00 0.00 H new ATOM 0 HH TYR A 37 9.473 1.895 -3.808 1.00 0.00 H new ATOM 560 N HIS A 38 6.078 0.886 4.606 1.00 0.00 N ATOM 561 CA HIS A 38 5.289 0.956 5.829 1.00 0.00 C ATOM 562 C HIS A 38 4.968 2.413 6.098 1.00 0.00 C ATOM 563 O HIS A 38 5.882 3.238 6.120 1.00 0.00 O ATOM 564 CB HIS A 38 6.066 0.384 7.029 1.00 0.00 C ATOM 565 CG HIS A 38 5.337 -0.601 7.912 1.00 0.00 C ATOM 566 ND1 HIS A 38 5.952 -1.533 8.726 1.00 0.00 N ATOM 567 CD2 HIS A 38 3.983 -0.719 8.101 1.00 0.00 C ATOM 568 CE1 HIS A 38 5.000 -2.171 9.420 1.00 0.00 C ATOM 569 NE2 HIS A 38 3.790 -1.679 9.106 1.00 0.00 N ATOM 0 H HIS A 38 7.067 1.082 4.760 1.00 0.00 H new ATOM 0 HA HIS A 38 4.381 0.367 5.701 1.00 0.00 H new ATOM 0 HB2 HIS A 38 6.965 -0.102 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.392 1.218 7.650 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.212 -0.176 7.576 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.179 -2.966 10.129 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.899 -1.952 9.520 1.00 0.00 H new ATOM 577 N LEU A 39 3.685 2.735 6.226 1.00 0.00 N ATOM 578 CA LEU A 39 3.235 4.093 6.516 1.00 0.00 C ATOM 579 C LEU A 39 3.642 4.407 7.955 1.00 0.00 C ATOM 580 O LEU A 39 3.469 3.565 8.837 1.00 0.00 O ATOM 581 CB LEU A 39 1.713 4.212 6.349 1.00 0.00 C ATOM 582 CG LEU A 39 1.193 3.821 4.953 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.278 4.224 4.850 1.00 0.00 C ATOM 584 CD2 LEU A 39 1.950 4.484 3.798 1.00 0.00 C ATOM 0 H LEU A 39 2.926 2.060 6.131 1.00 0.00 H new ATOM 0 HA LEU A 39 3.690 4.800 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.228 3.581 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.416 5.239 6.559 1.00 0.00 H new ATOM 0 HG LEU A 39 1.341 2.745 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.661 3.954 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.852 3.706 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.371 5.301 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.524 4.158 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.864 5.567 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.001 4.199 3.841 1.00 0.00 H new ATOM 596 N LYS A 40 4.125 5.624 8.213 1.00 0.00 N ATOM 597 CA LYS A 40 4.578 6.040 9.543 1.00 0.00 C ATOM 598 C LYS A 40 3.702 7.137 10.119 1.00 0.00 C ATOM 599 O LYS A 40 3.161 6.985 11.213 1.00 0.00 O ATOM 600 CB LYS A 40 6.045 6.493 9.486 1.00 0.00 C ATOM 601 CG LYS A 40 6.987 5.540 8.742 1.00 0.00 C ATOM 602 CD LYS A 40 7.158 4.113 9.309 1.00 0.00 C ATOM 603 CE LYS A 40 8.215 4.112 10.419 1.00 0.00 C ATOM 604 NZ LYS A 40 8.730 2.769 10.773 1.00 0.00 N ATOM 0 H LYS A 40 4.213 6.351 7.504 1.00 0.00 H new ATOM 0 HA LYS A 40 4.498 5.179 10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.089 7.471 9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.411 6.620 10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.633 5.453 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.972 6.005 8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.207 3.752 9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.454 3.430 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.051 4.738 10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.788 4.571 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.438 2.857 11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.945 2.172 11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.169 2.334 9.937 1.00 0.00 H new ATOM 618 N GLU A 41 3.612 8.267 9.430 1.00 0.00 N ATOM 619 CA GLU A 41 2.810 9.415 9.852 1.00 0.00 C ATOM 620 C GLU A 41 2.208 10.096 8.615 1.00 0.00 C ATOM 621 O GLU A 41 2.305 9.545 7.514 1.00 0.00 O ATOM 622 CB GLU A 41 3.634 10.312 10.807 1.00 0.00 C ATOM 623 CG GLU A 41 4.876 11.015 10.227 1.00 0.00 C ATOM 624 CD GLU A 41 5.935 11.366 11.282 1.00 0.00 C ATOM 625 OE1 GLU A 41 6.285 10.493 12.117 1.00 0.00 O ATOM 626 OE2 GLU A 41 6.511 12.478 11.217 1.00 0.00 O ATOM 0 H GLU A 41 4.101 8.417 8.548 1.00 0.00 H new ATOM 0 HA GLU A 41 1.948 9.117 10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.969 11.078 11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.957 9.700 11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.327 10.371 9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.563 11.928 9.721 1.00 0.00 H new ATOM 633 N LYS A 42 1.544 11.248 8.780 1.00 0.00 N ATOM 634 CA LYS A 42 0.910 12.025 7.709 1.00 0.00 C ATOM 635 C LYS A 42 1.758 13.280 7.432 1.00 0.00 C ATOM 636 O LYS A 42 2.427 13.758 8.352 1.00 0.00 O ATOM 637 CB LYS A 42 -0.533 12.340 8.182 1.00 0.00 C ATOM 638 CG LYS A 42 -1.594 12.452 7.073 1.00 0.00 C ATOM 639 CD LYS A 42 -1.645 13.822 6.416 1.00 0.00 C ATOM 640 CE LYS A 42 -2.269 14.881 7.318 1.00 0.00 C ATOM 641 NZ LYS A 42 -3.604 15.295 6.858 1.00 0.00 N ATOM 0 H LYS A 42 1.430 11.679 9.697 1.00 0.00 H new ATOM 0 HA LYS A 42 0.852 11.485 6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.844 11.562 8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.516 13.277 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.391 11.700 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.573 12.223 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.635 14.129 6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.216 13.756 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.342 14.492 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.615 15.752 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.986 16.015 7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.533 15.692 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.238 14.471 6.846 1.00 0.00 H new ATOM 655 N VAL A 43 1.796 13.805 6.207 1.00 0.00 N ATOM 656 CA VAL A 43 2.529 15.012 5.802 1.00 0.00 C ATOM 657 C VAL A 43 1.589 15.915 4.994 1.00 0.00 C ATOM 658 O VAL A 43 0.489 15.510 4.614 1.00 0.00 O ATOM 659 CB VAL A 43 3.782 14.720 4.941 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.962 14.070 5.655 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.463 13.911 3.683 1.00 0.00 C ATOM 0 H VAL A 43 1.292 13.381 5.428 1.00 0.00 H new ATOM 0 HA VAL A 43 2.873 15.491 6.719 1.00 0.00 H new ATOM 0 HB VAL A 43 4.103 15.727 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.776 13.917 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.301 14.719 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.654 13.109 6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.380 13.737 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.025 12.954 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.756 14.464 3.064 1.00 0.00 H new ATOM 671 N ASP A 44 2.019 17.146 4.737 1.00 0.00 N ATOM 672 CA ASP A 44 1.258 18.111 3.951 1.00 0.00 C ATOM 673 C ASP A 44 1.778 18.092 2.505 1.00 0.00 C ATOM 674 O ASP A 44 2.813 17.476 2.220 1.00 0.00 O ATOM 675 CB ASP A 44 1.364 19.509 4.566 1.00 0.00 C ATOM 676 CG ASP A 44 0.049 20.256 4.342 1.00 0.00 C ATOM 677 OD1 ASP A 44 -0.122 20.797 3.231 1.00 0.00 O ATOM 678 OD2 ASP A 44 -0.791 20.243 5.282 1.00 0.00 O ATOM 0 H ASP A 44 2.913 17.505 5.071 1.00 0.00 H new ATOM 0 HA ASP A 44 0.202 17.839 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.577 19.435 5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.190 20.057 4.113 1.00 0.00 H new ATOM 683 N GLU A 45 1.091 18.748 1.570 1.00 0.00 N ATOM 684 CA GLU A 45 1.528 18.783 0.172 1.00 0.00 C ATOM 685 C GLU A 45 2.769 19.661 -0.007 1.00 0.00 C ATOM 686 O GLU A 45 3.403 19.642 -1.058 1.00 0.00 O ATOM 687 CB GLU A 45 0.407 19.197 -0.789 1.00 0.00 C ATOM 688 CG GLU A 45 0.022 20.686 -0.793 1.00 0.00 C ATOM 689 CD GLU A 45 -0.430 21.113 -2.192 1.00 0.00 C ATOM 690 OE1 GLU A 45 -1.263 20.402 -2.805 1.00 0.00 O ATOM 691 OE2 GLU A 45 0.122 22.104 -2.717 1.00 0.00 O ATOM 0 H GLU A 45 0.230 19.263 1.754 1.00 0.00 H new ATOM 0 HA GLU A 45 1.801 17.761 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.704 18.919 -1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.482 18.615 -0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.778 20.864 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.873 21.290 -0.478 1.00 0.00 H new ATOM 698 N ASP A 46 3.125 20.422 1.022 1.00 0.00 N ATOM 699 CA ASP A 46 4.271 21.316 1.043 1.00 0.00 C ATOM 700 C ASP A 46 5.536 20.534 1.384 1.00 0.00 C ATOM 701 O ASP A 46 6.638 21.064 1.269 1.00 0.00 O ATOM 702 CB ASP A 46 4.051 22.388 2.130 1.00 0.00 C ATOM 703 CG ASP A 46 3.402 23.661 1.595 1.00 0.00 C ATOM 704 OD1 ASP A 46 2.403 23.571 0.844 1.00 0.00 O ATOM 705 OD2 ASP A 46 3.897 24.747 1.969 1.00 0.00 O ATOM 0 H ASP A 46 2.601 20.431 1.897 1.00 0.00 H new ATOM 0 HA ASP A 46 4.380 21.780 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.425 21.973 2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.010 22.639 2.583 1.00 0.00 H new ATOM 710 N LYS A 47 5.409 19.276 1.823 1.00 0.00 N ATOM 711 CA LYS A 47 6.556 18.463 2.220 1.00 0.00 C ATOM 712 C LYS A 47 7.084 17.581 1.096 1.00 0.00 C ATOM 713 O LYS A 47 8.262 17.221 1.111 1.00 0.00 O ATOM 714 CB LYS A 47 6.173 17.595 3.437 1.00 0.00 C ATOM 715 CG LYS A 47 5.261 18.277 4.478 1.00 0.00 C ATOM 716 CD LYS A 47 5.748 19.657 4.940 1.00 0.00 C ATOM 717 CE LYS A 47 5.162 20.057 6.294 1.00 0.00 C ATOM 718 NZ LYS A 47 5.889 19.447 7.426 1.00 0.00 N ATOM 0 H LYS A 47 4.512 18.799 1.911 1.00 0.00 H new ATOM 0 HA LYS A 47 7.362 19.150 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.674 16.695 3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.088 17.275 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.262 18.381 4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.173 17.626 5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.836 19.653 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.476 20.404 4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.188 21.142 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.114 19.759 6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.454 19.749 8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.843 18.411 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.883 19.752 7.405 1.00 0.00 H new ATOM 732 N LYS A 48 6.240 17.252 0.112 1.00 0.00 N ATOM 733 CA LYS A 48 6.646 16.406 -1.006 1.00 0.00 C ATOM 734 C LYS A 48 7.843 17.015 -1.742 1.00 0.00 C ATOM 735 O LYS A 48 7.872 18.224 -1.993 1.00 0.00 O ATOM 736 CB LYS A 48 5.447 16.158 -1.935 1.00 0.00 C ATOM 737 CG LYS A 48 5.064 17.409 -2.725 1.00 0.00 C ATOM 738 CD LYS A 48 3.742 17.263 -3.484 1.00 0.00 C ATOM 739 CE LYS A 48 3.237 18.584 -4.072 1.00 0.00 C ATOM 740 NZ LYS A 48 4.312 19.451 -4.605 1.00 0.00 N ATOM 0 H LYS A 48 5.269 17.562 0.071 1.00 0.00 H new ATOM 0 HA LYS A 48 6.974 15.438 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.686 15.351 -2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.593 15.827 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.991 18.254 -2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.859 17.640 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.870 16.539 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.986 16.860 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.528 18.368 -4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.692 19.129 -3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.890 20.250 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.889 19.812 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.913 18.901 -5.252 1.00 0.00 H new ATOM 754 N GLY A 49 8.797 16.173 -2.128 1.00 0.00 N ATOM 755 CA GLY A 49 9.993 16.589 -2.835 1.00 0.00 C ATOM 756 C GLY A 49 9.804 16.608 -4.341 1.00 0.00 C ATOM 757 O GLY A 49 10.205 17.569 -4.996 1.00 0.00 O ATOM 0 H GLY A 49 8.756 15.169 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.283 17.584 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.812 15.915 -2.584 1.00 0.00 H new ATOM 761 N LYS A 50 9.215 15.548 -4.898 1.00 0.00 N ATOM 762 CA LYS A 50 8.953 15.377 -6.325 1.00 0.00 C ATOM 763 C LYS A 50 8.115 14.117 -6.510 1.00 0.00 C ATOM 764 O LYS A 50 8.259 13.173 -5.732 1.00 0.00 O ATOM 765 CB LYS A 50 10.279 15.292 -7.119 1.00 0.00 C ATOM 766 CG LYS A 50 11.349 14.338 -6.540 1.00 0.00 C ATOM 767 CD LYS A 50 12.784 14.672 -6.968 1.00 0.00 C ATOM 768 CE LYS A 50 13.150 14.255 -8.393 1.00 0.00 C ATOM 769 NZ LYS A 50 14.597 14.408 -8.663 1.00 0.00 N ATOM 0 H LYS A 50 8.895 14.754 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 50 8.406 16.237 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.051 14.977 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.707 16.292 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.291 14.362 -5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.117 13.319 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.935 15.747 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.474 14.190 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.860 13.217 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.583 14.857 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.801 14.114 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.870 15.403 -8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.138 13.814 -8.003 1.00 0.00 H new ATOM 783 N VAL A 51 7.233 14.071 -7.510 1.00 0.00 N ATOM 784 CA VAL A 51 6.416 12.890 -7.787 1.00 0.00 C ATOM 785 C VAL A 51 7.393 11.826 -8.290 1.00 0.00 C ATOM 786 O VAL A 51 8.357 12.152 -8.993 1.00 0.00 O ATOM 787 CB VAL A 51 5.300 13.248 -8.798 1.00 0.00 C ATOM 788 CG1 VAL A 51 4.808 12.072 -9.654 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.096 13.850 -8.069 1.00 0.00 C ATOM 0 H VAL A 51 7.066 14.849 -8.148 1.00 0.00 H new ATOM 0 HA VAL A 51 5.890 12.511 -6.911 1.00 0.00 H new ATOM 0 HB VAL A 51 5.759 13.966 -9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.027 12.417 -10.332 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.640 11.670 -10.233 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.407 11.293 -9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.319 14.097 -8.792 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.707 13.128 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.404 14.754 -7.544 1.00 0.00 H new ATOM 799 N ILE A 52 7.168 10.562 -7.935 1.00 0.00 N ATOM 800 CA ILE A 52 8.024 9.448 -8.360 1.00 0.00 C ATOM 801 C ILE A 52 7.208 8.314 -8.977 1.00 0.00 C ATOM 802 O ILE A 52 7.738 7.576 -9.800 1.00 0.00 O ATOM 803 CB ILE A 52 8.909 8.931 -7.206 1.00 0.00 C ATOM 804 CG1 ILE A 52 8.068 8.434 -6.012 1.00 0.00 C ATOM 805 CG2 ILE A 52 9.934 9.999 -6.786 1.00 0.00 C ATOM 806 CD1 ILE A 52 8.912 7.750 -4.940 1.00 0.00 C ATOM 0 H ILE A 52 6.387 10.278 -7.344 1.00 0.00 H new ATOM 0 HA ILE A 52 8.688 9.837 -9.132 1.00 0.00 H new ATOM 0 HB ILE A 52 9.462 8.066 -7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.540 9.278 -5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.311 7.737 -6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.547 9.614 -5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.571 10.245 -7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.410 10.895 -6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.268 7.421 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.420 6.888 -5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.652 8.452 -4.557 1.00 0.00 H new ATOM 818 N GLY A 53 5.934 8.184 -8.628 1.00 0.00 N ATOM 819 CA GLY A 53 5.050 7.147 -9.134 1.00 0.00 C ATOM 820 C GLY A 53 3.629 7.513 -8.747 1.00 0.00 C ATOM 821 O GLY A 53 3.424 8.571 -8.149 1.00 0.00 O ATOM 0 H GLY A 53 5.478 8.814 -7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.141 7.064 -10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.321 6.178 -8.716 1.00 0.00 H new ATOM 825 N ALA A 54 2.645 6.676 -9.063 1.00 0.00 N ATOM 826 CA ALA A 54 1.257 6.950 -8.735 1.00 0.00 C ATOM 827 C ALA A 54 0.503 5.658 -8.476 1.00 0.00 C ATOM 828 O ALA A 54 0.409 4.854 -9.409 1.00 0.00 O ATOM 829 CB ALA A 54 0.595 7.719 -9.889 1.00 0.00 C ATOM 0 H ALA A 54 2.791 5.793 -9.552 1.00 0.00 H new ATOM 0 HA ALA A 54 1.225 7.556 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.446 7.923 -9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.121 8.660 -10.048 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.640 7.120 -10.798 1.00 0.00 H new ATOM 835 N ILE A 55 -0.021 5.434 -7.262 1.00 0.00 N ATOM 836 CA ILE A 55 -0.763 4.202 -7.017 1.00 0.00 C ATOM 837 C ILE A 55 -2.001 4.282 -7.907 1.00 0.00 C ATOM 838 O ILE A 55 -2.195 3.410 -8.751 1.00 0.00 O ATOM 839 CB ILE A 55 -1.064 3.958 -5.518 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.226 3.697 -4.711 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.002 2.760 -5.396 1.00 0.00 C ATOM 842 CD1 ILE A 55 0.019 3.479 -3.208 1.00 0.00 C ATOM 0 H ILE A 55 0.053 6.067 -6.466 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.172 3.323 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.531 4.853 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.724 2.820 -5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.901 4.542 -4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.223 2.576 -4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.929 2.968 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.525 1.879 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.983 3.304 -2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.447 4.363 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.626 2.615 -3.051 1.00 0.00 H new ATOM 854 N GLY A 56 -2.817 5.332 -7.747 1.00 0.00 N ATOM 855 CA GLY A 56 -4.028 5.565 -8.523 1.00 0.00 C ATOM 856 C GLY A 56 -4.875 4.307 -8.687 1.00 0.00 C ATOM 857 O GLY A 56 -5.183 3.919 -9.820 1.00 0.00 O ATOM 0 H GLY A 56 -2.642 6.059 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.623 6.338 -8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.756 5.945 -9.508 1.00 0.00 H new ATOM 861 N GLN A 57 -5.182 3.637 -7.577 1.00 0.00 N ATOM 862 CA GLN A 57 -5.992 2.429 -7.522 1.00 0.00 C ATOM 863 C GLN A 57 -7.114 2.659 -6.513 1.00 0.00 C ATOM 864 O GLN A 57 -6.993 3.513 -5.627 1.00 0.00 O ATOM 865 CB GLN A 57 -5.167 1.194 -7.097 1.00 0.00 C ATOM 866 CG GLN A 57 -4.033 0.801 -8.054 1.00 0.00 C ATOM 867 CD GLN A 57 -3.889 -0.715 -8.193 1.00 0.00 C ATOM 868 OE1 GLN A 57 -4.714 -1.346 -8.850 1.00 0.00 O ATOM 869 NE2 GLN A 57 -2.887 -1.339 -7.590 1.00 0.00 N ATOM 0 H GLN A 57 -4.859 3.936 -6.657 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.386 2.228 -8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.740 1.384 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.842 0.345 -6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.221 1.237 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.094 1.221 -7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.207 -0.806 -7.047 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.796 -2.352 -7.669 1.00 0.00 H new ATOM 878 N THR A 58 -8.169 1.850 -6.587 1.00 0.00 N ATOM 879 CA THR A 58 -9.312 1.897 -5.687 1.00 0.00 C ATOM 880 C THR A 58 -9.835 0.467 -5.495 1.00 0.00 C ATOM 881 O THR A 58 -9.969 -0.260 -6.480 1.00 0.00 O ATOM 882 CB THR A 58 -10.415 2.813 -6.241 1.00 0.00 C ATOM 883 OG1 THR A 58 -9.895 4.063 -6.662 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.468 3.127 -5.174 1.00 0.00 C ATOM 0 H THR A 58 -8.251 1.123 -7.298 1.00 0.00 H new ATOM 0 HA THR A 58 -9.005 2.311 -4.727 1.00 0.00 H new ATOM 0 HB THR A 58 -10.853 2.272 -7.080 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.623 4.620 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.233 3.777 -5.598 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.928 2.200 -4.833 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.993 3.629 -4.331 1.00 0.00 H new ATOM 892 N PHE A 59 -10.101 0.049 -4.253 1.00 0.00 N ATOM 893 CA PHE A 59 -10.631 -1.265 -3.885 1.00 0.00 C ATOM 894 C PHE A 59 -11.604 -1.081 -2.710 1.00 0.00 C ATOM 895 O PHE A 59 -11.683 0.013 -2.145 1.00 0.00 O ATOM 896 CB PHE A 59 -9.504 -2.238 -3.487 1.00 0.00 C ATOM 897 CG PHE A 59 -8.571 -2.658 -4.608 1.00 0.00 C ATOM 898 CD1 PHE A 59 -9.045 -3.304 -5.762 1.00 0.00 C ATOM 899 CD2 PHE A 59 -7.207 -2.361 -4.512 1.00 0.00 C ATOM 900 CE1 PHE A 59 -8.166 -3.560 -6.831 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.337 -2.540 -5.596 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.821 -3.151 -6.766 1.00 0.00 C ATOM 0 H PHE A 59 -9.945 0.646 -3.441 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.144 -1.695 -4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.910 -1.774 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.956 -3.133 -3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -10.081 -3.603 -5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.815 -1.984 -3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.527 -4.075 -7.709 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.310 -2.213 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.165 -3.306 -7.610 1.00 0.00 H new ATOM 912 N PHE A 60 -12.325 -2.131 -2.295 1.00 0.00 N ATOM 913 CA PHE A 60 -13.264 -2.071 -1.170 1.00 0.00 C ATOM 914 C PHE A 60 -13.193 -3.332 -0.302 1.00 0.00 C ATOM 915 O PHE A 60 -12.937 -4.414 -0.846 1.00 0.00 O ATOM 916 CB PHE A 60 -14.704 -1.960 -1.671 1.00 0.00 C ATOM 917 CG PHE A 60 -15.022 -0.769 -2.545 1.00 0.00 C ATOM 918 CD1 PHE A 60 -14.810 -0.858 -3.930 1.00 0.00 C ATOM 919 CD2 PHE A 60 -15.568 0.406 -1.994 1.00 0.00 C ATOM 920 CE1 PHE A 60 -15.110 0.235 -4.753 1.00 0.00 C ATOM 921 CE2 PHE A 60 -15.924 1.480 -2.829 1.00 0.00 C ATOM 922 CZ PHE A 60 -15.693 1.393 -4.213 1.00 0.00 C ATOM 0 H PHE A 60 -12.272 -3.050 -2.734 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.981 -1.196 -0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.942 -2.866 -2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.366 -1.935 -0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.416 -1.767 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.714 0.483 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.892 0.187 -5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.373 2.368 -2.409 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.963 2.215 -4.860 1.00 0.00 H new ATOM 932 N VAL A 61 -13.505 -3.238 1.001 1.00 0.00 N ATOM 933 CA VAL A 61 -13.483 -4.376 1.916 1.00 0.00 C ATOM 934 C VAL A 61 -14.617 -4.263 2.934 1.00 0.00 C ATOM 935 O VAL A 61 -15.129 -3.166 3.172 1.00 0.00 O ATOM 936 CB VAL A 61 -12.141 -4.462 2.663 1.00 0.00 C ATOM 937 CG1 VAL A 61 -10.969 -4.765 1.738 1.00 0.00 C ATOM 938 CG2 VAL A 61 -11.858 -3.175 3.436 1.00 0.00 C ATOM 0 H VAL A 61 -13.780 -2.362 1.445 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.614 -5.280 1.321 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.239 -5.294 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.049 -4.814 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.135 -5.721 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.883 -3.977 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.903 -3.264 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.817 -2.335 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.651 -3.006 4.164 1.00 0.00 H new ATOM 948 N ASP A 62 -15.015 -5.382 3.531 1.00 0.00 N ATOM 949 CA ASP A 62 -16.050 -5.434 4.564 1.00 0.00 C ATOM 950 C ASP A 62 -15.361 -5.196 5.912 1.00 0.00 C ATOM 951 O ASP A 62 -14.133 -5.052 5.997 1.00 0.00 O ATOM 952 CB ASP A 62 -16.841 -6.770 4.615 1.00 0.00 C ATOM 953 CG ASP A 62 -16.420 -7.837 3.630 1.00 0.00 C ATOM 954 OD1 ASP A 62 -15.231 -8.200 3.727 1.00 0.00 O ATOM 955 OD2 ASP A 62 -17.272 -8.309 2.846 1.00 0.00 O ATOM 0 H ASP A 62 -14.621 -6.296 3.308 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.790 -4.669 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.755 -7.180 5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.896 -6.549 4.450 1.00 0.00 H new ATOM 960 N GLY A 63 -16.143 -5.183 6.995 1.00 0.00 N ATOM 961 CA GLY A 63 -15.636 -4.990 8.348 1.00 0.00 C ATOM 962 C GLY A 63 -14.691 -6.116 8.768 1.00 0.00 C ATOM 963 O GLY A 63 -13.859 -5.910 9.652 1.00 0.00 O ATOM 0 H GLY A 63 -17.154 -5.308 6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.113 -4.036 8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.472 -4.939 9.045 1.00 0.00 H new ATOM 967 N ASP A 64 -14.788 -7.287 8.128 1.00 0.00 N ATOM 968 CA ASP A 64 -13.960 -8.464 8.401 1.00 0.00 C ATOM 969 C ASP A 64 -12.602 -8.342 7.715 1.00 0.00 C ATOM 970 O ASP A 64 -11.619 -8.950 8.133 1.00 0.00 O ATOM 971 CB ASP A 64 -14.669 -9.732 7.908 1.00 0.00 C ATOM 972 CG ASP A 64 -13.972 -10.990 8.431 1.00 0.00 C ATOM 973 OD1 ASP A 64 -13.810 -11.125 9.669 1.00 0.00 O ATOM 974 OD2 ASP A 64 -13.616 -11.879 7.630 1.00 0.00 O ATOM 0 H ASP A 64 -15.466 -7.445 7.383 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.805 -8.528 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.708 -9.724 8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.681 -9.745 6.818 1.00 0.00 H new ATOM 979 N GLY A 65 -12.521 -7.477 6.704 1.00 0.00 N ATOM 980 CA GLY A 65 -11.323 -7.218 5.939 1.00 0.00 C ATOM 981 C GLY A 65 -11.114 -8.273 4.869 1.00 0.00 C ATOM 982 O GLY A 65 -10.089 -8.952 4.864 1.00 0.00 O ATOM 0 H GLY A 65 -13.320 -6.924 6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.391 -6.234 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.461 -7.197 6.605 1.00 0.00 H new ATOM 986 N LYS A 66 -12.099 -8.428 3.986 1.00 0.00 N ATOM 987 CA LYS A 66 -12.104 -9.358 2.867 1.00 0.00 C ATOM 988 C LYS A 66 -12.318 -8.489 1.624 1.00 0.00 C ATOM 989 O LYS A 66 -13.013 -7.474 1.689 1.00 0.00 O ATOM 990 CB LYS A 66 -13.192 -10.422 3.114 1.00 0.00 C ATOM 991 CG LYS A 66 -12.611 -11.753 3.605 1.00 0.00 C ATOM 992 CD LYS A 66 -11.847 -12.474 2.493 1.00 0.00 C ATOM 993 CE LYS A 66 -11.399 -13.861 2.949 1.00 0.00 C ATOM 994 NZ LYS A 66 -10.567 -14.492 1.909 1.00 0.00 N ATOM 0 H LYS A 66 -12.957 -7.879 4.038 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.181 -9.924 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.903 -10.046 3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.747 -10.590 2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.944 -11.571 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.417 -12.391 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.481 -12.564 1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.978 -11.884 2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.835 -13.782 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.270 -14.483 3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.267 -15.435 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.118 -14.583 1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.728 -13.904 1.732 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.631 -8.785 0.518 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.716 -8.025 -0.720 1.00 0.00 C ATOM 1010 C ARG A 67 -13.018 -8.311 -1.450 1.00 0.00 C ATOM 1011 O ARG A 67 -13.193 -9.407 -1.974 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.497 -8.400 -1.585 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.386 -7.346 -1.470 1.00 0.00 C ATOM 1014 CD ARG A 67 -9.681 -6.053 -2.240 1.00 0.00 C ATOM 1015 NE ARG A 67 -10.170 -6.274 -3.612 1.00 0.00 N ATOM 1016 CZ ARG A 67 -9.457 -6.746 -4.645 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -8.305 -7.360 -4.451 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -9.875 -6.617 -5.895 1.00 0.00 N ATOM 0 H ARG A 67 -10.989 -9.576 0.462 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.708 -6.956 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.113 -9.372 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.803 -8.497 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.233 -7.105 -0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.453 -7.773 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.423 -5.475 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.773 -5.451 -2.281 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.147 -6.045 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.945 -7.481 -3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.775 -7.713 -5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.760 -6.149 -6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.312 -6.986 -6.662 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.868 -7.288 -1.572 1.00 0.00 N ATOM 1033 CA TRP A 68 -15.146 -7.424 -2.262 1.00 0.00 C ATOM 1034 C TRP A 68 -14.936 -7.845 -3.719 1.00 0.00 C ATOM 1035 O TRP A 68 -14.072 -7.267 -4.396 1.00 0.00 O ATOM 1036 CB TRP A 68 -15.969 -6.131 -2.197 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.825 -5.927 -0.982 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.387 -5.687 0.272 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -18.280 -6.010 -0.877 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.458 -5.583 1.133 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.652 -5.791 0.482 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.325 -6.298 -1.783 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -19.985 -5.850 0.916 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.670 -6.327 -1.366 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -21.003 -6.110 -0.018 1.00 0.00 C ATOM 0 H TRP A 68 -13.690 -6.355 -1.199 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.708 -8.203 -1.748 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.282 -5.288 -2.272 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.614 -6.096 -3.075 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.350 -5.591 0.558 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.376 -5.377 2.129 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -19.088 -6.500 -2.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -20.227 -5.697 1.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.451 -6.517 -2.087 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -22.035 -6.143 0.299 1.00 0.00 H new ATOM 1056 N SER A 69 -15.710 -8.827 -4.190 1.00 0.00 N ATOM 1057 CA SER A 69 -15.639 -9.334 -5.555 1.00 0.00 C ATOM 1058 C SER A 69 -16.602 -8.545 -6.443 1.00 0.00 C ATOM 1059 O SER A 69 -17.659 -8.113 -5.985 1.00 0.00 O ATOM 1060 CB SER A 69 -16.002 -10.819 -5.569 1.00 0.00 C ATOM 1061 OG SER A 69 -15.749 -11.350 -6.852 1.00 0.00 O ATOM 0 H SER A 69 -16.414 -9.297 -3.621 1.00 0.00 H new ATOM 0 HA SER A 69 -14.626 -9.215 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 69 -15.419 -11.355 -4.820 1.00 0.00 H new ATOM 0 HB3 SER A 69 -17.052 -10.951 -5.309 1.00 0.00 H new ATOM 0 HG SER A 69 -15.979 -12.302 -6.863 1.00 0.00 H new ATOM 1067 N GLU A 70 -16.268 -8.373 -7.724 1.00 0.00 N ATOM 1068 CA GLU A 70 -17.091 -7.636 -8.686 1.00 0.00 C ATOM 1069 C GLU A 70 -18.502 -8.211 -8.803 1.00 0.00 C ATOM 1070 O GLU A 70 -19.456 -7.469 -9.042 1.00 0.00 O ATOM 1071 CB GLU A 70 -16.423 -7.633 -10.064 1.00 0.00 C ATOM 1072 CG GLU A 70 -15.199 -6.711 -10.088 1.00 0.00 C ATOM 1073 CD GLU A 70 -14.551 -6.675 -11.471 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -15.291 -6.559 -12.476 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -13.300 -6.726 -11.518 1.00 0.00 O ATOM 0 H GLU A 70 -15.408 -8.746 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 70 -17.178 -6.615 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.122 -8.647 -10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.140 -7.308 -10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.496 -5.703 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.471 -7.053 -9.353 1.00 0.00 H new ATOM 1082 N GLU A 71 -18.635 -9.523 -8.609 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.902 -10.234 -8.681 1.00 0.00 C ATOM 1084 C GLU A 71 -20.872 -9.658 -7.645 1.00 0.00 C ATOM 1085 O GLU A 71 -22.056 -9.478 -7.927 1.00 0.00 O ATOM 1086 CB GLU A 71 -19.657 -11.742 -8.509 1.00 0.00 C ATOM 1087 CG GLU A 71 -18.727 -12.256 -9.619 1.00 0.00 C ATOM 1088 CD GLU A 71 -18.487 -13.762 -9.554 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -19.340 -14.529 -10.041 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -17.400 -14.179 -9.083 1.00 0.00 O ATOM 0 H GLU A 71 -17.845 -10.130 -8.393 1.00 0.00 H new ATOM 0 HA GLU A 71 -20.365 -10.099 -9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -19.213 -11.937 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.605 -12.278 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.156 -12.005 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.770 -11.739 -9.550 1.00 0.00 H new ATOM 1097 N GLU A 72 -20.372 -9.398 -6.439 1.00 0.00 N ATOM 1098 CA GLU A 72 -21.127 -8.816 -5.334 1.00 0.00 C ATOM 1099 C GLU A 72 -21.261 -7.299 -5.489 1.00 0.00 C ATOM 1100 O GLU A 72 -22.275 -6.709 -5.135 1.00 0.00 O ATOM 1101 CB GLU A 72 -20.421 -9.167 -4.018 1.00 0.00 C ATOM 1102 CG GLU A 72 -20.673 -10.641 -3.655 1.00 0.00 C ATOM 1103 CD GLU A 72 -19.390 -11.391 -3.311 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -18.948 -11.312 -2.141 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -18.830 -12.043 -4.221 1.00 0.00 O ATOM 0 H GLU A 72 -19.400 -9.593 -6.197 1.00 0.00 H new ATOM 0 HA GLU A 72 -22.136 -9.228 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.350 -8.986 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.784 -8.521 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.356 -10.690 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.166 -11.137 -4.491 1.00 0.00 H new ATOM 1112 N LEU A 73 -20.248 -6.633 -6.042 1.00 0.00 N ATOM 1113 CA LEU A 73 -20.246 -5.182 -6.212 1.00 0.00 C ATOM 1114 C LEU A 73 -21.307 -4.662 -7.172 1.00 0.00 C ATOM 1115 O LEU A 73 -21.675 -3.488 -7.070 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.851 -4.696 -6.620 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.813 -4.903 -5.503 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -16.409 -4.585 -6.004 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -18.132 -4.050 -4.281 1.00 0.00 C ATOM 0 H LEU A 73 -19.402 -7.088 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.510 -4.765 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.530 -5.229 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.898 -3.638 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.856 -5.952 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.692 -4.738 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.163 -5.242 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.367 -3.547 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.379 -4.221 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.131 -2.997 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.114 -4.321 -3.894 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.790 -5.477 -8.110 1.00 0.00 N ATOM 1132 CA LYS A 74 -22.832 -5.034 -9.039 1.00 0.00 C ATOM 1133 C LYS A 74 -24.222 -5.131 -8.396 1.00 0.00 C ATOM 1134 O LYS A 74 -25.187 -4.636 -8.977 1.00 0.00 O ATOM 1135 CB LYS A 74 -22.723 -5.802 -10.361 1.00 0.00 C ATOM 1136 CG LYS A 74 -23.166 -7.264 -10.232 1.00 0.00 C ATOM 1137 CD LYS A 74 -22.338 -8.162 -11.154 1.00 0.00 C ATOM 1138 CE LYS A 74 -22.683 -9.649 -11.030 1.00 0.00 C ATOM 1139 NZ LYS A 74 -24.123 -9.929 -11.164 1.00 0.00 N ATOM 0 H LYS A 74 -21.480 -6.439 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.682 -3.980 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -23.333 -5.307 -11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -21.692 -5.768 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -23.055 -7.593 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -24.223 -7.353 -10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.489 -7.847 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.280 -8.023 -10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.140 -10.205 -11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.338 -10.015 -10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.282 -10.956 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -24.640 -9.466 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.464 -9.563 -12.076 1.00 0.00 H new ATOM 1321 N ARG A 86 -23.198 -6.756 3.868 1.00 0.00 N ATOM 1322 CA ARG A 86 -22.263 -6.272 4.882 1.00 0.00 C ATOM 1323 C ARG A 86 -21.734 -4.900 4.461 1.00 0.00 C ATOM 1324 O ARG A 86 -21.971 -4.466 3.329 1.00 0.00 O ATOM 1325 CB ARG A 86 -21.125 -7.293 5.097 1.00 0.00 C ATOM 1326 CG ARG A 86 -20.684 -7.341 6.570 1.00 0.00 C ATOM 1327 CD ARG A 86 -19.597 -8.393 6.838 1.00 0.00 C ATOM 1328 NE ARG A 86 -19.376 -8.574 8.284 1.00 0.00 N ATOM 1329 CZ ARG A 86 -20.206 -9.194 9.133 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -21.247 -9.899 8.705 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -19.987 -9.063 10.431 1.00 0.00 N ATOM 0 HA ARG A 86 -22.774 -6.162 5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.458 -8.282 4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.274 -7.029 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -20.312 -6.360 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -21.550 -7.554 7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -19.888 -9.343 6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -18.666 -8.088 6.360 1.00 0.00 H new ATOM 0 HE ARG A 86 -18.514 -8.193 8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -21.432 -9.979 7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.861 -10.360 9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -19.202 -8.501 10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.603 -9.524 11.101 1.00 0.00 H new ATOM 1345 N GLU A 87 -21.008 -4.226 5.356 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.425 -2.909 5.110 1.00 0.00 C ATOM 1347 C GLU A 87 -19.402 -2.930 3.969 1.00 0.00 C ATOM 1348 O GLU A 87 -18.860 -3.983 3.631 1.00 0.00 O ATOM 1349 CB GLU A 87 -19.802 -2.345 6.397 1.00 0.00 C ATOM 1350 CG GLU A 87 -18.606 -3.155 6.905 1.00 0.00 C ATOM 1351 CD GLU A 87 -18.247 -2.781 8.347 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -19.035 -3.076 9.270 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -17.172 -2.183 8.568 1.00 0.00 O ATOM 0 H GLU A 87 -20.806 -4.588 6.288 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.235 -2.250 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.485 -1.318 6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.564 -2.311 7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.836 -4.219 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.746 -2.981 6.258 1.00 0.00 H new ATOM 1360 N LYS A 88 -19.073 -1.755 3.414 1.00 0.00 N ATOM 1361 CA LYS A 88 -18.117 -1.639 2.319 1.00 0.00 C ATOM 1362 C LYS A 88 -17.260 -0.378 2.446 1.00 0.00 C ATOM 1363 O LYS A 88 -17.719 0.733 2.156 1.00 0.00 O ATOM 1364 CB LYS A 88 -18.886 -1.735 0.995 1.00 0.00 C ATOM 1365 CG LYS A 88 -17.875 -1.913 -0.133 1.00 0.00 C ATOM 1366 CD LYS A 88 -18.506 -2.346 -1.450 1.00 0.00 C ATOM 1367 CE LYS A 88 -19.266 -1.226 -2.165 1.00 0.00 C ATOM 1368 NZ LYS A 88 -18.483 -0.546 -3.225 1.00 0.00 N ATOM 0 H LYS A 88 -19.465 -0.863 3.716 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.400 -2.459 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.580 -2.575 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.480 -0.835 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.343 -0.974 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.134 -2.654 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.725 -2.722 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -19.190 -3.174 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -20.172 -1.640 -2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.580 -0.486 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.830 0.428 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.479 -0.526 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.591 -1.062 -4.121 1.00 0.00 H new ATOM 1382 N LYS A 89 -16.020 -0.523 2.910 1.00 0.00 N ATOM 1383 CA LYS A 89 -15.029 0.522 3.127 1.00 0.00 C ATOM 1384 C LYS A 89 -14.258 0.819 1.850 1.00 0.00 C ATOM 1385 O LYS A 89 -13.580 -0.081 1.353 1.00 0.00 O ATOM 1386 CB LYS A 89 -13.984 0.057 4.145 1.00 0.00 C ATOM 1387 CG LYS A 89 -14.613 -0.152 5.511 1.00 0.00 C ATOM 1388 CD LYS A 89 -13.646 -0.887 6.432 1.00 0.00 C ATOM 1389 CE LYS A 89 -14.489 -1.496 7.534 1.00 0.00 C ATOM 1390 NZ LYS A 89 -15.031 -0.460 8.438 1.00 0.00 N ATOM 0 H LYS A 89 -15.658 -1.443 3.162 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.571 1.402 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.527 -0.872 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.186 0.796 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.880 0.811 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.536 -0.724 5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.101 -1.658 5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.904 -0.202 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.310 -2.062 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.886 -2.201 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.979 -0.741 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.404 -0.354 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.092 0.446 7.931 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.343 2.033 1.306 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.623 2.436 0.113 1.00 0.00 C ATOM 1406 C PRO A 90 -12.152 2.763 0.415 1.00 0.00 C ATOM 1407 O PRO A 90 -11.828 3.628 1.228 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.355 3.682 -0.355 1.00 0.00 C ATOM 1409 CG PRO A 90 -14.866 4.323 0.931 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.146 3.121 1.827 1.00 0.00 C ATOM 0 HA PRO A 90 -13.601 1.642 -0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.690 4.354 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.175 3.433 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.125 4.990 1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.765 4.915 0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.883 3.338 2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.205 2.864 1.814 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.242 2.091 -0.282 1.00 0.00 N ATOM 1419 CA LEU A 91 -9.798 2.259 -0.174 1.00 0.00 C ATOM 1420 C LEU A 91 -9.455 3.019 -1.451 1.00 0.00 C ATOM 1421 O LEU A 91 -9.573 2.448 -2.533 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.101 0.886 -0.079 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.690 -0.069 0.985 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -9.000 -1.425 0.867 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.552 0.445 2.421 1.00 0.00 C ATOM 0 H LEU A 91 -11.503 1.383 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.468 2.791 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.154 0.399 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.045 1.045 0.141 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.759 -0.144 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.408 -2.107 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.169 -1.834 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.929 -1.304 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.988 -0.279 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.497 0.582 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.073 1.398 2.518 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.116 4.310 -1.364 1.00 0.00 N ATOM 1438 CA ARG A 92 -8.802 5.165 -2.517 1.00 0.00 C ATOM 1439 C ARG A 92 -7.343 5.603 -2.482 1.00 0.00 C ATOM 1440 O ARG A 92 -7.028 6.566 -1.781 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.734 6.393 -2.480 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.202 6.097 -2.827 1.00 0.00 C ATOM 1443 CD ARG A 92 -12.063 7.283 -2.382 1.00 0.00 C ATOM 1444 NE ARG A 92 -13.370 7.328 -3.055 1.00 0.00 N ATOM 1445 CZ ARG A 92 -14.094 8.441 -3.246 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -13.736 9.601 -2.698 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -15.183 8.389 -4.009 1.00 0.00 N ATOM 0 H ARG A 92 -9.051 4.801 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.957 4.608 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.692 6.834 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.354 7.141 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.311 5.933 -3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.531 5.184 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.217 7.229 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.526 8.210 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.754 6.449 -3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.897 9.655 -2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.301 10.436 -2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.460 7.508 -4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.740 9.230 -4.160 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.448 4.930 -3.200 1.00 0.00 N ATOM 1462 CA TYR A 93 -5.035 5.299 -3.202 1.00 0.00 C ATOM 1463 C TYR A 93 -4.753 6.394 -4.228 1.00 0.00 C ATOM 1464 O TYR A 93 -5.341 6.440 -5.312 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.146 4.090 -3.430 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.273 3.013 -2.375 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -3.524 3.059 -1.187 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -5.184 1.971 -2.585 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -3.744 2.089 -0.190 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -5.413 0.993 -1.605 1.00 0.00 C ATOM 1471 CZ TYR A 93 -4.697 1.060 -0.390 1.00 0.00 C ATOM 1472 OH TYR A 93 -4.935 0.131 0.575 1.00 0.00 O ATOM 0 H TYR A 93 -6.675 4.127 -3.787 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.798 5.698 -2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.383 3.659 -4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.108 4.420 -3.472 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.785 3.833 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -5.722 1.919 -3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.183 2.130 0.732 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.126 0.201 -1.778 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.621 -0.496 0.263 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.820 7.237 -3.813 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.172 8.425 -4.260 1.00 0.00 C ATOM 1484 C GLY A 94 -1.806 8.294 -4.910 1.00 0.00 C ATOM 1485 O GLY A 94 -1.227 7.207 -5.005 1.00 0.00 O ATOM 0 H GLY A 94 -3.410 7.014 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.834 8.918 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.071 9.092 -3.404 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.373 9.382 -5.547 1.00 0.00 N ATOM 1490 CA LYS A 95 -0.082 9.419 -6.218 1.00 0.00 C ATOM 1491 C LYS A 95 1.050 9.289 -5.165 1.00 0.00 C ATOM 1492 O LYS A 95 0.802 9.364 -3.961 1.00 0.00 O ATOM 1493 CB LYS A 95 -0.032 10.749 -6.991 1.00 0.00 C ATOM 1494 CG LYS A 95 1.180 10.857 -7.923 1.00 0.00 C ATOM 1495 CD LYS A 95 0.985 11.812 -9.103 1.00 0.00 C ATOM 1496 CE LYS A 95 -0.112 11.293 -10.046 1.00 0.00 C ATOM 1497 NZ LYS A 95 0.180 11.569 -11.467 1.00 0.00 N ATOM 0 H LYS A 95 -1.903 10.251 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 95 0.055 8.593 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.945 10.856 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.011 11.575 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.042 11.187 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.416 9.865 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.717 12.802 -8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.922 11.918 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.228 10.218 -9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.063 11.754 -9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.591 11.198 -12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.264 12.596 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.073 11.108 -11.734 1.00 0.00 H new ATOM 1511 N VAL A 96 2.289 9.021 -5.598 1.00 0.00 N ATOM 1512 CA VAL A 96 3.447 8.839 -4.718 1.00 0.00 C ATOM 1513 C VAL A 96 4.482 9.940 -4.959 1.00 0.00 C ATOM 1514 O VAL A 96 4.704 10.376 -6.098 1.00 0.00 O ATOM 1515 CB VAL A 96 4.019 7.410 -4.890 1.00 0.00 C ATOM 1516 CG1 VAL A 96 5.200 7.123 -3.958 1.00 0.00 C ATOM 1517 CG2 VAL A 96 2.967 6.337 -4.567 1.00 0.00 C ATOM 0 H VAL A 96 2.517 8.923 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 96 3.140 8.934 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 96 4.336 7.368 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.557 6.107 -4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.005 7.829 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.880 7.229 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.404 5.347 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.634 6.452 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.115 6.449 -5.238 1.00 0.00 H new ATOM 1527 N TYR A 97 5.173 10.360 -3.895 1.00 0.00 N ATOM 1528 CA TYR A 97 6.172 11.411 -3.923 1.00 0.00 C ATOM 1529 C TYR A 97 7.429 10.969 -3.180 1.00 0.00 C ATOM 1530 O TYR A 97 7.423 9.964 -2.481 1.00 0.00 O ATOM 1531 CB TYR A 97 5.580 12.667 -3.255 1.00 0.00 C ATOM 1532 CG TYR A 97 4.133 12.990 -3.604 1.00 0.00 C ATOM 1533 CD1 TYR A 97 3.054 12.417 -2.891 1.00 0.00 C ATOM 1534 CD2 TYR A 97 3.872 13.877 -4.658 1.00 0.00 C ATOM 1535 CE1 TYR A 97 1.719 12.711 -3.241 1.00 0.00 C ATOM 1536 CE2 TYR A 97 2.550 14.202 -5.004 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.468 13.599 -4.315 1.00 0.00 C ATOM 1538 OH TYR A 97 0.191 13.854 -4.706 1.00 0.00 O ATOM 0 H TYR A 97 5.042 9.960 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 97 6.446 11.630 -4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.654 12.549 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.198 13.523 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.254 11.746 -2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.693 14.313 -5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.900 12.265 -2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.358 14.912 -5.795 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.234 14.457 -4.061 1.00 0.00 H new ATOM 1548 N SER A 98 8.501 11.725 -3.341 1.00 0.00 N ATOM 1549 CA SER A 98 9.808 11.552 -2.730 1.00 0.00 C ATOM 1550 C SER A 98 9.841 12.428 -1.473 1.00 0.00 C ATOM 1551 O SER A 98 9.110 13.428 -1.405 1.00 0.00 O ATOM 1552 CB SER A 98 10.823 11.995 -3.795 1.00 0.00 C ATOM 1553 OG SER A 98 12.050 12.476 -3.305 1.00 0.00 O ATOM 0 H SER A 98 8.478 12.542 -3.952 1.00 0.00 H new ATOM 0 HA SER A 98 10.035 10.531 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.022 11.150 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.366 12.774 -4.405 1.00 0.00 H new ATOM 0 HG SER A 98 12.625 12.730 -4.057 1.00 0.00 H new ATOM 1559 N THR A 99 10.610 12.022 -0.463 1.00 0.00 N ATOM 1560 CA THR A 99 10.768 12.770 0.776 1.00 0.00 C ATOM 1561 C THR A 99 11.885 13.799 0.575 1.00 0.00 C ATOM 1562 O THR A 99 12.655 13.744 -0.393 1.00 0.00 O ATOM 1563 CB THR A 99 11.122 11.824 1.943 1.00 0.00 C ATOM 1564 OG1 THR A 99 12.050 10.843 1.535 1.00 0.00 O ATOM 1565 CG2 THR A 99 9.897 11.101 2.502 1.00 0.00 C ATOM 0 H THR A 99 11.145 11.154 -0.486 1.00 0.00 H new ATOM 0 HA THR A 99 9.832 13.271 1.025 1.00 0.00 H new ATOM 0 HB THR A 99 11.548 12.459 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 99 11.585 10.142 1.031 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.202 10.449 3.320 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.179 11.834 2.870 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.436 10.505 1.715 1.00 0.00 H new ATOM 1669 N ASP A 107 15.159 5.849 0.386 1.00 0.00 N ATOM 1670 CA ASP A 107 14.714 4.808 1.327 1.00 0.00 C ATOM 1671 C ASP A 107 13.370 5.178 1.944 1.00 0.00 C ATOM 1672 O ASP A 107 12.657 4.334 2.491 1.00 0.00 O ATOM 1673 CB ASP A 107 15.808 4.508 2.364 1.00 0.00 C ATOM 1674 CG ASP A 107 15.983 5.506 3.516 1.00 0.00 C ATOM 1675 OD1 ASP A 107 15.032 5.798 4.274 1.00 0.00 O ATOM 1676 OD2 ASP A 107 17.155 5.848 3.796 1.00 0.00 O ATOM 0 HA ASP A 107 14.551 3.877 0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.603 3.528 2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.759 4.432 1.837 1.00 0.00 H new ATOM 1681 N GLU A 108 12.937 6.418 1.769 1.00 0.00 N ATOM 1682 CA GLU A 108 11.674 6.907 2.266 1.00 0.00 C ATOM 1683 C GLU A 108 11.029 7.652 1.116 1.00 0.00 C ATOM 1684 O GLU A 108 11.700 8.292 0.299 1.00 0.00 O ATOM 1685 CB GLU A 108 11.884 7.787 3.496 1.00 0.00 C ATOM 1686 CG GLU A 108 11.806 6.974 4.791 1.00 0.00 C ATOM 1687 CD GLU A 108 12.014 7.858 6.014 1.00 0.00 C ATOM 1688 OE1 GLU A 108 12.868 8.769 5.993 1.00 0.00 O ATOM 1689 OE2 GLU A 108 11.253 7.730 6.993 1.00 0.00 O ATOM 0 H GLU A 108 13.473 7.124 1.264 1.00 0.00 H new ATOM 0 HA GLU A 108 11.023 6.098 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.855 8.277 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.130 8.574 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.835 6.482 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.561 6.188 4.775 1.00 0.00 H new ATOM 1696 N ILE A 109 9.712 7.515 1.047 1.00 0.00 N ATOM 1697 CA ILE A 109 8.860 8.130 0.044 1.00 0.00 C ATOM 1698 C ILE A 109 7.546 8.536 0.731 1.00 0.00 C ATOM 1699 O ILE A 109 7.397 8.386 1.943 1.00 0.00 O ATOM 1700 CB ILE A 109 8.720 7.207 -1.191 1.00 0.00 C ATOM 1701 CG1 ILE A 109 8.041 5.861 -0.910 1.00 0.00 C ATOM 1702 CG2 ILE A 109 10.058 6.952 -1.897 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.537 6.044 -0.735 1.00 0.00 C ATOM 0 H ILE A 109 9.189 6.949 1.716 1.00 0.00 H new ATOM 0 HA ILE A 109 9.293 9.042 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 109 8.062 7.774 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.236 5.171 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.465 5.414 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.898 6.299 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.477 7.900 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.751 6.476 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.074 5.078 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.347 6.716 0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.114 6.469 -1.645 1.00 0.00 H new ATOM 1715 N ILE A 110 6.571 9.062 -0.008 1.00 0.00 N ATOM 1716 CA ILE A 110 5.292 9.507 0.522 1.00 0.00 C ATOM 1717 C ILE A 110 4.172 8.945 -0.345 1.00 0.00 C ATOM 1718 O ILE A 110 4.154 9.179 -1.551 1.00 0.00 O ATOM 1719 CB ILE A 110 5.287 11.048 0.572 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.575 11.564 1.252 1.00 0.00 C ATOM 1721 CG2 ILE A 110 4.031 11.529 1.312 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.768 13.067 1.294 1.00 0.00 C ATOM 0 H ILE A 110 6.655 9.192 -1.016 1.00 0.00 H new ATOM 0 HA ILE A 110 5.133 9.141 1.536 1.00 0.00 H new ATOM 0 HB ILE A 110 5.266 11.449 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.592 11.190 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.430 11.125 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.025 12.618 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.143 11.179 0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.032 11.132 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.707 13.299 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.793 13.459 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.942 13.525 1.839 1.00 0.00 H new ATOM 1734 N VAL A 111 3.258 8.191 0.255 1.00 0.00 N ATOM 1735 CA VAL A 111 2.102 7.561 -0.389 1.00 0.00 C ATOM 1736 C VAL A 111 0.830 8.309 -0.034 1.00 0.00 C ATOM 1737 O VAL A 111 0.587 8.573 1.140 1.00 0.00 O ATOM 1738 CB VAL A 111 1.971 6.115 0.138 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.591 5.450 -0.087 1.00 0.00 C ATOM 1740 CG2 VAL A 111 3.105 5.267 -0.436 1.00 0.00 C ATOM 0 H VAL A 111 3.302 7.990 1.254 1.00 0.00 H new ATOM 0 HA VAL A 111 2.245 7.575 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 111 2.052 6.176 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.604 4.438 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.180 6.033 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.376 5.410 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.018 4.245 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.044 5.267 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.063 5.684 -0.126 1.00 0.00 H new ATOM 1750 N GLU A 112 0.007 8.661 -1.019 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.254 9.322 -0.726 1.00 0.00 C ATOM 1752 C GLU A 112 -2.315 8.221 -0.588 1.00 0.00 C ATOM 1753 O GLU A 112 -2.331 7.260 -1.363 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.616 10.294 -1.833 1.00 0.00 C ATOM 1755 CG GLU A 112 -3.056 10.859 -1.756 1.00 0.00 C ATOM 1756 CD GLU A 112 -3.489 11.651 -2.998 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -2.757 11.743 -4.006 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -4.611 12.212 -2.970 1.00 0.00 O ATOM 0 H GLU A 112 0.189 8.501 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.186 9.903 0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.913 11.126 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.488 9.794 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.751 10.033 -1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.135 11.505 -0.881 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.233 8.362 0.361 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.312 7.428 0.605 1.00 0.00 C ATOM 1767 C PHE A 113 -5.506 8.206 1.145 1.00 0.00 C ATOM 1768 O PHE A 113 -5.333 9.086 1.978 1.00 0.00 O ATOM 1769 CB PHE A 113 -3.845 6.359 1.596 1.00 0.00 C ATOM 1770 CG PHE A 113 -4.870 5.281 1.859 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.503 4.643 0.778 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -5.167 4.887 3.176 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.407 3.599 0.999 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -6.071 3.836 3.397 1.00 0.00 C ATOM 1775 CZ PHE A 113 -6.698 3.193 2.314 1.00 0.00 C ATOM 0 H PHE A 113 -3.242 9.157 1.000 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.607 6.923 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -2.935 5.896 1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.587 6.840 2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -5.289 4.962 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.703 5.390 4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.880 3.106 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.287 3.518 4.406 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.400 2.391 2.491 1.00 0.00 H new ATOM 1785 N ASN A 114 -6.721 7.881 0.688 1.00 0.00 N ATOM 1786 CA ASN A 114 -7.976 8.521 1.086 1.00 0.00 C ATOM 1787 C ASN A 114 -7.856 10.056 1.076 1.00 0.00 C ATOM 1788 O ASN A 114 -8.438 10.739 1.911 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.520 7.955 2.418 1.00 0.00 C ATOM 1790 CG ASN A 114 -8.980 6.494 2.398 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -8.735 5.749 3.335 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -9.740 6.054 1.403 1.00 0.00 N ATOM 0 H ASN A 114 -6.860 7.136 0.005 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.726 8.272 0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.744 8.059 3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.360 8.574 2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.112 5.104 1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.952 6.665 0.615 1.00 0.00 H new ATOM 1799 N ARG A 115 -7.127 10.598 0.088 1.00 0.00 N ATOM 1800 CA ARG A 115 -6.876 12.022 -0.157 1.00 0.00 C ATOM 1801 C ARG A 115 -5.858 12.686 0.784 1.00 0.00 C ATOM 1802 O ARG A 115 -5.738 13.908 0.717 1.00 0.00 O ATOM 1803 CB ARG A 115 -8.202 12.828 -0.214 1.00 0.00 C ATOM 1804 CG ARG A 115 -9.289 12.256 -1.151 1.00 0.00 C ATOM 1805 CD ARG A 115 -8.809 12.102 -2.601 1.00 0.00 C ATOM 1806 NE ARG A 115 -8.260 13.373 -3.100 1.00 0.00 N ATOM 1807 CZ ARG A 115 -8.950 14.447 -3.501 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -10.247 14.376 -3.784 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -8.306 15.600 -3.599 1.00 0.00 N ATOM 0 H ARG A 115 -6.667 10.010 -0.607 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.398 12.048 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.612 12.891 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.974 13.846 -0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.611 11.285 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.160 12.910 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.048 11.323 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.638 11.784 -3.233 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.243 13.443 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.740 13.487 -3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -10.749 15.210 -4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.313 15.650 -3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -8.803 16.438 -3.902 1.00 0.00 H new ATOM 1823 N GLU A 116 -5.106 11.954 1.602 1.00 0.00 N ATOM 1824 CA GLU A 116 -4.121 12.466 2.545 1.00 0.00 C ATOM 1825 C GLU A 116 -2.771 11.852 2.191 1.00 0.00 C ATOM 1826 O GLU A 116 -2.716 10.732 1.692 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.529 12.060 3.969 1.00 0.00 C ATOM 1828 CG GLU A 116 -5.740 12.832 4.493 1.00 0.00 C ATOM 1829 CD GLU A 116 -5.994 12.501 5.963 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -5.298 13.085 6.830 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -6.891 11.700 6.295 1.00 0.00 O ATOM 0 H GLU A 116 -5.172 10.936 1.625 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.061 13.553 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.752 10.993 3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.686 12.220 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.572 13.903 4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.621 12.583 3.901 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.679 12.566 2.435 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.315 12.126 2.136 1.00 0.00 C ATOM 1840 C TYR A 117 0.306 11.517 3.388 1.00 0.00 C ATOM 1841 O TYR A 117 0.340 12.165 4.432 1.00 0.00 O ATOM 1842 CB TYR A 117 0.521 13.308 1.606 1.00 0.00 C ATOM 1843 CG TYR A 117 0.061 13.981 0.315 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -1.070 13.525 -0.388 1.00 0.00 C ATOM 1845 CD2 TYR A 117 0.768 15.095 -0.184 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.533 14.187 -1.528 1.00 0.00 C ATOM 1847 CE2 TYR A 117 0.334 15.743 -1.359 1.00 0.00 C ATOM 1848 CZ TYR A 117 -0.833 15.301 -2.019 1.00 0.00 C ATOM 1849 OH TYR A 117 -1.301 15.934 -3.125 1.00 0.00 O ATOM 0 H TYR A 117 -1.715 13.493 2.858 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.336 11.363 1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.558 14.069 2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.542 12.956 1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.591 12.645 -0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.645 15.453 0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.426 13.843 -2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.894 16.577 -1.754 1.00 0.00 H new ATOM 0 HH TYR A 117 -0.713 16.686 -3.345 1.00 0.00 H new ATOM 1859 N TYR A 118 0.878 10.319 3.269 1.00 0.00 N ATOM 1860 CA TYR A 118 1.501 9.592 4.376 1.00 0.00 C ATOM 1861 C TYR A 118 2.947 9.237 4.079 1.00 0.00 C ATOM 1862 O TYR A 118 3.254 8.689 3.018 1.00 0.00 O ATOM 1863 CB TYR A 118 0.707 8.313 4.667 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.711 8.579 5.120 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -0.959 8.920 6.459 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -1.768 8.552 4.194 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -2.259 9.246 6.873 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -3.074 8.864 4.608 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.327 9.221 5.952 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.583 9.537 6.359 1.00 0.00 O ATOM 0 H TYR A 118 0.922 9.816 2.383 1.00 0.00 H new ATOM 0 HA TYR A 118 1.491 10.246 5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.684 7.696 3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.225 7.739 5.435 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -0.148 8.931 7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -1.576 8.291 3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -2.443 9.517 7.902 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -3.887 8.831 3.897 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.199 9.471 5.600 1.00 0.00 H new ATOM 1880 N ARG A 119 3.867 9.589 4.979 1.00 0.00 N ATOM 1881 CA ARG A 119 5.274 9.270 4.787 1.00 0.00 C ATOM 1882 C ARG A 119 5.432 7.771 4.998 1.00 0.00 C ATOM 1883 O ARG A 119 4.904 7.237 5.977 1.00 0.00 O ATOM 1884 CB ARG A 119 6.130 10.102 5.747 1.00 0.00 C ATOM 1885 CG ARG A 119 7.616 10.036 5.423 1.00 0.00 C ATOM 1886 CD ARG A 119 8.409 9.123 6.354 1.00 0.00 C ATOM 1887 NE ARG A 119 8.537 9.686 7.715 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.587 10.337 8.230 1.00 0.00 C ATOM 1889 NH1 ARG A 119 10.761 10.361 7.617 1.00 0.00 N ATOM 1890 NH2 ARG A 119 9.457 10.978 9.381 1.00 0.00 N ATOM 0 H ARG A 119 3.660 10.092 5.842 1.00 0.00 H new ATOM 0 HA ARG A 119 5.615 9.519 3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.801 11.141 5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.969 9.751 6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.740 9.689 4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.034 11.041 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.919 8.151 6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.402 8.956 5.937 1.00 0.00 H new ATOM 0 HE ARG A 119 7.734 9.565 8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.882 9.875 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.544 10.866 8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.561 10.973 9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.253 11.476 9.780 1.00 0.00 H new ATOM 1904 N ALA A 120 6.152 7.103 4.097 1.00 0.00 N ATOM 1905 CA ALA A 120 6.377 5.659 4.164 1.00 0.00 C ATOM 1906 C ALA A 120 7.868 5.292 4.039 1.00 0.00 C ATOM 1907 O ALA A 120 8.600 5.937 3.284 1.00 0.00 O ATOM 1908 CB ALA A 120 5.551 4.966 3.077 1.00 0.00 C ATOM 0 H ALA A 120 6.598 7.550 3.296 1.00 0.00 H new ATOM 0 HA ALA A 120 6.055 5.312 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.717 3.890 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.493 5.177 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.854 5.337 2.098 1.00 0.00 H new ATOM 1914 N VAL A 121 8.309 4.215 4.699 1.00 0.00 N ATOM 1915 CA VAL A 121 9.696 3.730 4.706 1.00 0.00 C ATOM 1916 C VAL A 121 9.797 2.410 3.975 1.00 0.00 C ATOM 1917 O VAL A 121 8.872 1.599 4.030 1.00 0.00 O ATOM 1918 CB VAL A 121 10.206 3.426 6.142 1.00 0.00 C ATOM 1919 CG1 VAL A 121 11.730 3.241 6.209 1.00 0.00 C ATOM 1920 CG2 VAL A 121 9.864 4.475 7.175 1.00 0.00 C ATOM 0 H VAL A 121 7.688 3.635 5.264 1.00 0.00 H new ATOM 0 HA VAL A 121 10.284 4.521 4.239 1.00 0.00 H new ATOM 0 HB VAL A 121 9.680 2.501 6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 121 12.026 3.031 7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.024 2.409 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 121 12.222 4.152 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.262 4.174 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.302 5.429 6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.781 4.579 7.243 1.00 0.00 H new ATOM 1930 N LEU A 122 10.924 2.193 3.301 1.00 0.00 N ATOM 1931 CA LEU A 122 11.221 0.955 2.595 1.00 0.00 C ATOM 1932 C LEU A 122 11.368 -0.074 3.721 1.00 0.00 C ATOM 1933 O LEU A 122 12.297 0.008 4.523 1.00 0.00 O ATOM 1934 CB LEU A 122 12.465 1.169 1.711 1.00 0.00 C ATOM 1935 CG LEU A 122 12.395 0.458 0.366 1.00 0.00 C ATOM 1936 CD1 LEU A 122 13.394 1.027 -0.644 1.00 0.00 C ATOM 1937 CD2 LEU A 122 12.612 -1.030 0.492 1.00 0.00 C ATOM 0 H LEU A 122 11.668 2.887 3.231 1.00 0.00 H new ATOM 0 HA LEU A 122 10.462 0.610 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.598 2.237 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.346 0.821 2.250 1.00 0.00 H new ATOM 0 HG LEU A 122 11.384 0.635 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 122 13.306 0.487 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 122 13.182 2.083 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 122 14.407 0.916 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 122 12.553 -1.491 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.595 -1.219 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 122 11.845 -1.456 1.139 1.00 0.00 H new ATOM 1949 N ILE A 123 10.417 -1.007 3.827 1.00 0.00 N ATOM 1950 CA ILE A 123 10.388 -1.996 4.906 1.00 0.00 C ATOM 1951 C ILE A 123 11.528 -2.978 4.773 1.00 0.00 C ATOM 1952 O ILE A 123 12.235 -3.332 5.706 1.00 0.00 O ATOM 1953 CB ILE A 123 9.065 -2.814 4.810 1.00 0.00 C ATOM 1954 CG1 ILE A 123 7.894 -1.979 5.318 1.00 0.00 C ATOM 1955 CG2 ILE A 123 9.084 -4.147 5.588 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.563 -2.395 4.694 1.00 0.00 C ATOM 0 H ILE A 123 9.645 -1.097 3.166 1.00 0.00 H new ATOM 0 HA ILE A 123 10.467 -1.462 5.853 1.00 0.00 H new ATOM 0 HB ILE A 123 8.955 -3.059 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.828 -2.073 6.402 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.081 -0.927 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.126 -4.652 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.880 -4.783 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.260 -3.949 6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.764 -1.769 5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.615 -2.275 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.359 -3.439 4.934 1.00 0.00 H new