USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 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 44:sc= 1.44 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 90:sc= -0.0103 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 171:sc= -2.33 (180deg=-2.72) USER MOD Single : A 20 SER OG : rot 180:sc= -0.171 USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 0.355 (180deg=0.354) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.62) USER MOD Single : A 32 TYR OH : rot 94:sc= 0.207 USER MOD Single : A 35 GLN :FLIP amide:sc= 0.818 F(o=0,f=0.82) USER MOD Single : A 37 TYR OH : rot 147:sc= 0.245 USER MOD Single : A 38 HIS : no HD1:sc= -0.889 X(o=-0.89,f=-0.46) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.12) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc=-0.00676 (180deg=-0.122) USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= 1.01 (180deg=-2.97!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,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 78:sc= 0.0623 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -142:sc= 1.27 (180deg=-0.559) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -133:sc= -0.365 (180deg=-1.41!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -71:sc= 1.18 USER MOD Single : A 114 ASN : amide:sc= -0.0037 X(o=-0.0037,f=-0.5) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.224 -8.204 -1.552 1.00 0.00 N ATOM 181 CA THR A 14 8.010 -8.844 -1.091 1.00 0.00 C ATOM 182 C THR A 14 7.415 -9.764 -2.175 1.00 0.00 C ATOM 183 O THR A 14 6.912 -10.851 -1.863 1.00 0.00 O ATOM 184 CB THR A 14 7.046 -7.747 -0.589 1.00 0.00 C ATOM 185 OG1 THR A 14 5.946 -8.375 -0.001 1.00 0.00 O ATOM 186 CG2 THR A 14 6.523 -6.763 -1.649 1.00 0.00 C ATOM 0 HA THR A 14 8.216 -9.511 -0.254 1.00 0.00 H new ATOM 0 HB THR A 14 7.632 -7.141 0.102 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.121 -8.517 0.953 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.856 -6.041 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.363 -6.238 -2.104 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.978 -7.312 -2.417 1.00 0.00 H new ATOM 194 N SER A 15 7.510 -9.346 -3.435 1.00 0.00 N ATOM 195 CA SER A 15 7.037 -9.988 -4.645 1.00 0.00 C ATOM 196 C SER A 15 5.533 -10.233 -4.581 1.00 0.00 C ATOM 197 O SER A 15 5.036 -11.300 -4.950 1.00 0.00 O ATOM 198 CB SER A 15 7.896 -11.204 -5.001 1.00 0.00 C ATOM 199 OG SER A 15 9.227 -11.097 -4.514 1.00 0.00 O ATOM 0 H SER A 15 7.967 -8.459 -3.648 1.00 0.00 H new ATOM 0 HA SER A 15 7.167 -9.315 -5.492 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.435 -12.102 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.918 -11.323 -6.084 1.00 0.00 H new ATOM 0 HG SER A 15 9.733 -11.898 -4.766 1.00 0.00 H new ATOM 205 N GLU A 16 4.814 -9.229 -4.076 1.00 0.00 N ATOM 206 CA GLU A 16 3.370 -9.215 -3.922 1.00 0.00 C ATOM 207 C GLU A 16 2.835 -7.971 -4.646 1.00 0.00 C ATOM 208 O GLU A 16 3.619 -7.203 -5.227 1.00 0.00 O ATOM 209 CB GLU A 16 2.982 -9.401 -2.434 1.00 0.00 C ATOM 210 CG GLU A 16 2.848 -8.194 -1.502 1.00 0.00 C ATOM 211 CD GLU A 16 2.406 -8.650 -0.087 1.00 0.00 C ATOM 212 OE1 GLU A 16 1.286 -9.194 0.051 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.122 -8.420 0.921 1.00 0.00 O ATOM 0 H GLU A 16 5.249 -8.366 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 16 2.878 -10.062 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.028 -9.927 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.722 -10.067 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.800 -7.667 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.120 -7.492 -1.909 1.00 0.00 H new ATOM 220 N THR A 17 1.517 -7.776 -4.668 1.00 0.00 N ATOM 221 CA THR A 17 0.869 -6.641 -5.320 1.00 0.00 C ATOM 222 C THR A 17 -0.041 -5.940 -4.307 1.00 0.00 C ATOM 223 O THR A 17 -0.252 -6.432 -3.192 1.00 0.00 O ATOM 224 CB THR A 17 0.186 -7.120 -6.616 1.00 0.00 C ATOM 225 OG1 THR A 17 -0.108 -6.068 -7.509 1.00 0.00 O ATOM 226 CG2 THR A 17 -1.088 -7.922 -6.390 1.00 0.00 C ATOM 0 H THR A 17 0.858 -8.416 -4.224 1.00 0.00 H new ATOM 0 HA THR A 17 1.583 -5.883 -5.641 1.00 0.00 H new ATOM 0 HB THR A 17 0.934 -7.778 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.538 -6.431 -8.312 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.505 -8.221 -7.352 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.859 -8.811 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.813 -7.310 -5.854 1.00 0.00 H new ATOM 234 N MET A 18 -0.629 -4.796 -4.674 1.00 0.00 N ATOM 235 CA MET A 18 -1.488 -4.059 -3.759 1.00 0.00 C ATOM 236 C MET A 18 -2.695 -4.865 -3.276 1.00 0.00 C ATOM 237 O MET A 18 -3.075 -4.725 -2.112 1.00 0.00 O ATOM 238 CB MET A 18 -1.970 -2.727 -4.342 1.00 0.00 C ATOM 239 CG MET A 18 -0.883 -1.652 -4.313 1.00 0.00 C ATOM 240 SD MET A 18 -0.956 -0.471 -2.929 1.00 0.00 S ATOM 241 CE MET A 18 -1.559 -1.490 -1.556 1.00 0.00 C ATOM 0 H MET A 18 -0.523 -4.368 -5.594 1.00 0.00 H new ATOM 0 HA MET A 18 -0.851 -3.856 -2.898 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.298 -2.881 -5.370 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.836 -2.379 -3.779 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.088 -2.147 -4.290 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.932 -1.090 -5.246 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.493 -0.924 -0.627 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.597 -1.768 -1.738 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.950 -2.391 -1.477 1.00 0.00 H new ATOM 251 N GLU A 19 -3.302 -5.695 -4.133 1.00 0.00 N ATOM 252 CA GLU A 19 -4.464 -6.485 -3.714 1.00 0.00 C ATOM 253 C GLU A 19 -4.070 -7.459 -2.607 1.00 0.00 C ATOM 254 O GLU A 19 -4.771 -7.553 -1.600 1.00 0.00 O ATOM 255 CB GLU A 19 -5.129 -7.260 -4.870 1.00 0.00 C ATOM 256 CG GLU A 19 -6.231 -6.442 -5.562 1.00 0.00 C ATOM 257 CD GLU A 19 -7.266 -7.335 -6.261 1.00 0.00 C ATOM 258 OE1 GLU A 19 -8.005 -8.070 -5.573 1.00 0.00 O ATOM 259 OE2 GLU A 19 -7.411 -7.260 -7.506 1.00 0.00 O ATOM 0 H GLU A 19 -3.015 -5.835 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.200 -5.770 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.371 -7.537 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.555 -8.187 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.733 -5.816 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.779 -5.772 -6.294 1.00 0.00 H new ATOM 266 N SER A 20 -2.928 -8.129 -2.753 1.00 0.00 N ATOM 267 CA SER A 20 -2.382 -9.107 -1.819 1.00 0.00 C ATOM 268 C SER A 20 -2.246 -8.546 -0.411 1.00 0.00 C ATOM 269 O SER A 20 -2.386 -9.273 0.577 1.00 0.00 O ATOM 270 CB SER A 20 -1.057 -9.633 -2.371 1.00 0.00 C ATOM 271 OG SER A 20 -1.259 -10.001 -3.725 1.00 0.00 O ATOM 0 H SER A 20 -2.330 -7.996 -3.568 1.00 0.00 H new ATOM 0 HA SER A 20 -3.079 -9.940 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.283 -8.869 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.716 -10.490 -1.790 1.00 0.00 H new ATOM 0 HG SER A 20 -0.420 -10.340 -4.100 1.00 0.00 H new ATOM 277 N LEU A 21 -1.976 -7.241 -0.316 1.00 0.00 N ATOM 278 CA LEU A 21 -1.841 -6.576 0.960 1.00 0.00 C ATOM 279 C LEU A 21 -3.205 -6.525 1.620 1.00 0.00 C ATOM 280 O LEU A 21 -3.376 -6.949 2.764 1.00 0.00 O ATOM 281 CB LEU A 21 -1.394 -5.110 0.766 1.00 0.00 C ATOM 282 CG LEU A 21 -0.031 -4.852 0.134 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.502 -3.541 0.700 1.00 0.00 C ATOM 284 CD2 LEU A 21 0.977 -5.955 0.371 1.00 0.00 C ATOM 0 H LEU A 21 -1.848 -6.629 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.109 -7.120 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.145 -4.611 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.406 -4.626 1.743 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.171 -4.808 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.479 -3.328 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.187 -2.733 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.596 -3.624 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.920 -5.696 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.138 -6.077 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.600 -6.888 -0.048 1.00 0.00 H new ATOM 296 N ILE A 22 -4.189 -5.990 0.913 1.00 0.00 N ATOM 297 CA ILE A 22 -5.542 -5.844 1.413 1.00 0.00 C ATOM 298 C ILE A 22 -6.108 -7.217 1.772 1.00 0.00 C ATOM 299 O ILE A 22 -6.726 -7.357 2.830 1.00 0.00 O ATOM 300 CB ILE A 22 -6.407 -5.099 0.386 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.810 -3.734 -0.031 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.790 -4.917 1.019 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.428 -3.217 -1.334 1.00 0.00 C ATOM 0 H ILE A 22 -4.065 -5.641 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.541 -5.243 2.323 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.459 -5.683 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.976 -3.007 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.731 -3.831 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.442 -4.390 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.217 -5.894 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.696 -4.338 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.982 -2.257 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.239 -3.932 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.503 -3.094 -1.203 1.00 0.00 H new ATOM 315 N ASP A 23 -5.823 -8.233 0.960 1.00 0.00 N ATOM 316 CA ASP A 23 -6.258 -9.618 1.148 1.00 0.00 C ATOM 317 C ASP A 23 -5.850 -10.156 2.528 1.00 0.00 C ATOM 318 O ASP A 23 -6.524 -11.039 3.053 1.00 0.00 O ATOM 319 CB ASP A 23 -5.711 -10.505 0.017 1.00 0.00 C ATOM 320 CG ASP A 23 -6.828 -11.213 -0.748 1.00 0.00 C ATOM 321 OD1 ASP A 23 -7.591 -11.984 -0.124 1.00 0.00 O ATOM 322 OD2 ASP A 23 -6.907 -10.995 -1.981 1.00 0.00 O ATOM 0 H ASP A 23 -5.260 -8.110 0.118 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.347 -9.641 1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.130 -9.894 -0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.031 -11.247 0.435 1.00 0.00 H new ATOM 327 N LYS A 24 -4.783 -9.620 3.141 1.00 0.00 N ATOM 328 CA LYS A 24 -4.292 -10.021 4.471 1.00 0.00 C ATOM 329 C LYS A 24 -4.566 -8.948 5.539 1.00 0.00 C ATOM 330 O LYS A 24 -4.398 -9.180 6.733 1.00 0.00 O ATOM 331 CB LYS A 24 -2.796 -10.374 4.366 1.00 0.00 C ATOM 332 CG LYS A 24 -1.823 -9.293 4.889 1.00 0.00 C ATOM 333 CD LYS A 24 -1.453 -9.505 6.373 1.00 0.00 C ATOM 334 CE LYS A 24 -1.552 -8.244 7.257 1.00 0.00 C ATOM 335 NZ LYS A 24 -2.220 -8.506 8.549 1.00 0.00 N ATOM 0 H LYS A 24 -4.224 -8.879 2.717 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.840 -10.904 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.618 -11.297 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.560 -10.577 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.915 -9.302 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.277 -8.309 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.105 -10.273 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.434 -9.889 6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.551 -7.855 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.100 -7.470 6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.245 -7.631 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.191 -8.835 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.694 -9.237 9.070 1.00 0.00 H new ATOM 349 N GLY A 25 -4.939 -7.741 5.123 1.00 0.00 N ATOM 350 CA GLY A 25 -5.233 -6.634 6.016 1.00 0.00 C ATOM 351 C GLY A 25 -4.063 -5.677 6.173 1.00 0.00 C ATOM 352 O GLY A 25 -3.922 -5.035 7.210 1.00 0.00 O ATOM 0 H GLY A 25 -5.046 -7.505 4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.096 -6.087 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.509 -7.026 6.995 1.00 0.00 H new ATOM 356 N LYS A 26 -3.174 -5.585 5.182 1.00 0.00 N ATOM 357 CA LYS A 26 -2.026 -4.685 5.208 1.00 0.00 C ATOM 358 C LYS A 26 -2.520 -3.290 4.790 1.00 0.00 C ATOM 359 O LYS A 26 -2.210 -2.813 3.697 1.00 0.00 O ATOM 360 CB LYS A 26 -0.883 -5.234 4.327 1.00 0.00 C ATOM 361 CG LYS A 26 0.112 -6.139 5.063 1.00 0.00 C ATOM 362 CD LYS A 26 1.405 -6.434 4.276 1.00 0.00 C ATOM 363 CE LYS A 26 1.464 -7.841 3.656 1.00 0.00 C ATOM 364 NZ LYS A 26 2.126 -8.843 4.527 1.00 0.00 N ATOM 0 H LYS A 26 -3.234 -6.142 4.329 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.598 -4.609 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.317 -5.793 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.339 -4.394 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.377 -5.672 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.379 -7.083 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.509 -5.695 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.258 -6.308 4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.450 -8.175 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.996 -7.789 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.132 -9.767 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.104 -8.545 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.607 -8.920 5.425 1.00 0.00 H new ATOM 378 N LEU A 27 -3.326 -2.630 5.628 1.00 0.00 N ATOM 379 CA LEU A 27 -3.875 -1.286 5.383 1.00 0.00 C ATOM 380 C LEU A 27 -2.972 -0.193 5.973 1.00 0.00 C ATOM 381 O LEU A 27 -3.307 0.996 5.968 1.00 0.00 O ATOM 382 CB LEU A 27 -5.312 -1.155 5.923 1.00 0.00 C ATOM 383 CG LEU A 27 -6.407 -1.958 5.187 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.252 -2.022 3.662 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.454 -3.399 5.659 1.00 0.00 C ATOM 0 H LEU A 27 -3.624 -3.024 6.520 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.909 -1.147 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.311 -1.461 6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.589 -0.101 5.899 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.316 -1.407 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.068 -2.607 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.277 -1.013 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.301 -2.492 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.236 -3.933 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.492 -3.875 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.668 -3.425 6.728 1.00 0.00 H new ATOM 397 N ASP A 28 -1.823 -0.581 6.515 1.00 0.00 N ATOM 398 CA ASP A 28 -0.829 0.326 7.106 1.00 0.00 C ATOM 399 C ASP A 28 0.437 0.359 6.238 1.00 0.00 C ATOM 400 O ASP A 28 1.458 0.923 6.620 1.00 0.00 O ATOM 401 CB ASP A 28 -0.536 -0.060 8.565 1.00 0.00 C ATOM 402 CG ASP A 28 -1.593 0.475 9.528 1.00 0.00 C ATOM 403 OD1 ASP A 28 -1.780 1.712 9.606 1.00 0.00 O ATOM 404 OD2 ASP A 28 -2.296 -0.341 10.171 1.00 0.00 O ATOM 0 H ASP A 28 -1.544 -1.561 6.560 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.234 1.338 7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.487 -1.146 8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.442 0.326 8.851 1.00 0.00 H new ATOM 409 N GLN A 29 0.406 -0.262 5.056 1.00 0.00 N ATOM 410 CA GLN A 29 1.519 -0.334 4.120 1.00 0.00 C ATOM 411 C GLN A 29 0.979 -0.455 2.695 1.00 0.00 C ATOM 412 O GLN A 29 -0.209 -0.737 2.513 1.00 0.00 O ATOM 413 CB GLN A 29 2.443 -1.495 4.530 1.00 0.00 C ATOM 414 CG GLN A 29 1.820 -2.853 4.848 1.00 0.00 C ATOM 415 CD GLN A 29 2.735 -3.671 5.758 1.00 0.00 C ATOM 416 OE1 GLN A 29 2.295 -4.253 6.741 1.00 0.00 O ATOM 417 NE2 GLN A 29 4.011 -3.769 5.428 1.00 0.00 N ATOM 0 H GLN A 29 -0.427 -0.744 4.717 1.00 0.00 H new ATOM 0 HA GLN A 29 2.119 0.575 4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.164 -1.643 3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.005 -1.176 5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.853 -2.710 5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.637 -3.400 3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.364 -3.279 4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.642 -4.335 5.995 1.00 0.00 H new ATOM 426 N VAL A 30 1.831 -0.243 1.687 1.00 0.00 N ATOM 427 CA VAL A 30 1.457 -0.322 0.266 1.00 0.00 C ATOM 428 C VAL A 30 2.617 -0.854 -0.598 1.00 0.00 C ATOM 429 O VAL A 30 3.747 -0.924 -0.103 1.00 0.00 O ATOM 430 CB VAL A 30 0.962 1.044 -0.244 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.310 1.560 0.442 1.00 0.00 C ATOM 432 CG2 VAL A 30 2.030 2.131 -0.138 1.00 0.00 C ATOM 0 H VAL A 30 2.813 -0.009 1.834 1.00 0.00 H new ATOM 0 HA VAL A 30 0.637 -1.035 0.178 1.00 0.00 H new ATOM 0 HB VAL A 30 0.726 0.846 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.585 2.527 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.122 0.851 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.128 1.670 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.628 3.073 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.326 2.250 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.899 1.847 -0.732 1.00 0.00 H new ATOM 442 N VAL A 31 2.359 -1.232 -1.865 1.00 0.00 N ATOM 443 CA VAL A 31 3.364 -1.736 -2.795 1.00 0.00 C ATOM 444 C VAL A 31 3.399 -0.825 -4.009 1.00 0.00 C ATOM 445 O VAL A 31 2.346 -0.506 -4.564 1.00 0.00 O ATOM 446 CB VAL A 31 3.098 -3.164 -3.318 1.00 0.00 C ATOM 447 CG1 VAL A 31 4.302 -3.921 -3.822 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.431 -4.103 -2.333 1.00 0.00 C ATOM 0 H VAL A 31 1.424 -1.191 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 31 4.299 -1.759 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 31 2.430 -2.917 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.994 -4.909 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.754 -3.376 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.029 -4.025 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.289 -5.078 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.060 -4.211 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.463 -3.696 -2.041 1.00 0.00 H new ATOM 458 N TYR A 32 4.573 -0.355 -4.401 1.00 0.00 N ATOM 459 CA TYR A 32 4.764 0.502 -5.565 1.00 0.00 C ATOM 460 C TYR A 32 6.124 0.140 -6.104 1.00 0.00 C ATOM 461 O TYR A 32 7.084 0.022 -5.341 1.00 0.00 O ATOM 462 CB TYR A 32 4.710 2.012 -5.250 1.00 0.00 C ATOM 463 CG TYR A 32 5.406 2.928 -6.262 1.00 0.00 C ATOM 464 CD1 TYR A 32 4.945 2.996 -7.591 1.00 0.00 C ATOM 465 CD2 TYR A 32 6.559 3.664 -5.908 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.666 3.734 -8.548 1.00 0.00 C ATOM 467 CE2 TYR A 32 7.319 4.356 -6.868 1.00 0.00 C ATOM 468 CZ TYR A 32 6.885 4.360 -8.207 1.00 0.00 C ATOM 469 OH TYR A 32 7.642 4.931 -9.177 1.00 0.00 O ATOM 0 H TYR A 32 5.441 -0.563 -3.908 1.00 0.00 H new ATOM 0 HA TYR A 32 3.953 0.337 -6.275 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.665 2.312 -5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.159 2.176 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.039 2.482 -7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.865 3.696 -4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.283 3.823 -9.554 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.221 4.876 -6.582 1.00 0.00 H new ATOM 0 HH TYR A 32 7.422 5.884 -9.245 1.00 0.00 H new ATOM 479 N ASP A 33 6.169 -0.016 -7.422 1.00 0.00 N ATOM 480 CA ASP A 33 7.348 -0.342 -8.207 1.00 0.00 C ATOM 481 C ASP A 33 8.057 -1.593 -7.717 1.00 0.00 C ATOM 482 O ASP A 33 9.270 -1.680 -7.855 1.00 0.00 O ATOM 483 CB ASP A 33 8.279 0.877 -8.152 1.00 0.00 C ATOM 484 CG ASP A 33 9.344 0.920 -9.246 1.00 0.00 C ATOM 485 OD1 ASP A 33 9.152 0.359 -10.348 1.00 0.00 O ATOM 486 OD2 ASP A 33 10.354 1.631 -9.038 1.00 0.00 O ATOM 0 H ASP A 33 5.336 0.088 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 33 7.049 -0.564 -9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.674 1.782 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.775 0.894 -7.181 1.00 0.00 H new ATOM 491 N ASP A 34 7.292 -2.567 -7.209 1.00 0.00 N ATOM 492 CA ASP A 34 7.759 -3.851 -6.669 1.00 0.00 C ATOM 493 C ASP A 34 8.486 -3.703 -5.337 1.00 0.00 C ATOM 494 O ASP A 34 9.469 -4.390 -5.027 1.00 0.00 O ATOM 495 CB ASP A 34 8.661 -4.579 -7.663 1.00 0.00 C ATOM 496 CG ASP A 34 8.531 -6.102 -7.563 1.00 0.00 C ATOM 497 OD1 ASP A 34 7.487 -6.586 -7.059 1.00 0.00 O ATOM 498 OD2 ASP A 34 9.328 -6.802 -8.219 1.00 0.00 O ATOM 0 H ASP A 34 6.277 -2.476 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 34 6.861 -4.443 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.412 -4.262 -8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.698 -4.293 -7.485 1.00 0.00 H new ATOM 503 N GLN A 35 8.054 -2.723 -4.556 1.00 0.00 N ATOM 504 CA GLN A 35 8.649 -2.451 -3.265 1.00 0.00 C ATOM 505 C GLN A 35 7.543 -2.429 -2.253 1.00 0.00 C ATOM 506 O GLN A 35 6.398 -2.212 -2.620 1.00 0.00 O ATOM 507 CB GLN A 35 9.326 -1.092 -3.241 1.00 0.00 C ATOM 508 CG GLN A 35 10.196 -0.741 -4.446 1.00 0.00 C ATOM 509 CD GLN A 35 11.229 -1.774 -4.838 1.00 0.00 C ATOM 510 OE1 GLN A 35 12.006 -2.235 -3.893 1.00 0.00 O flip ATOM 511 NE2 GLN A 35 11.400 -2.136 -5.989 1.00 0.00 N flip ATOM 0 H GLN A 35 7.285 -2.100 -4.802 1.00 0.00 H new ATOM 0 HA GLN A 35 9.395 -3.217 -3.052 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.554 -0.328 -3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.945 -1.035 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.544 -0.565 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.710 0.198 -4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.797 -1.780 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.146 -2.795 -6.211 1.00 0.00 H new ATOM 520 N LEU A 36 7.890 -2.621 -0.990 1.00 0.00 N ATOM 521 CA LEU A 36 6.926 -2.632 0.107 1.00 0.00 C ATOM 522 C LEU A 36 7.310 -1.505 1.030 1.00 0.00 C ATOM 523 O LEU A 36 8.458 -1.476 1.495 1.00 0.00 O ATOM 524 CB LEU A 36 6.922 -3.988 0.828 1.00 0.00 C ATOM 525 CG LEU A 36 5.704 -4.235 1.749 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.346 -4.198 1.046 1.00 0.00 C ATOM 527 CD2 LEU A 36 5.836 -5.632 2.351 1.00 0.00 C ATOM 0 H LEU A 36 8.853 -2.775 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 36 5.910 -2.490 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.960 -4.780 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.831 -4.068 1.424 1.00 0.00 H new ATOM 0 HG LEU A 36 5.719 -3.426 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.555 -4.382 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.199 -3.219 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.315 -4.967 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.986 -5.828 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.857 -6.372 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.759 -5.694 2.927 1.00 0.00 H new ATOM 539 N TYR A 37 6.392 -0.563 1.236 1.00 0.00 N ATOM 540 CA TYR A 37 6.641 0.568 2.109 1.00 0.00 C ATOM 541 C TYR A 37 5.688 0.497 3.275 1.00 0.00 C ATOM 542 O TYR A 37 4.566 0.030 3.097 1.00 0.00 O ATOM 543 CB TYR A 37 6.447 1.921 1.414 1.00 0.00 C ATOM 544 CG TYR A 37 7.042 2.071 0.038 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.354 1.644 -0.232 1.00 0.00 C ATOM 546 CD2 TYR A 37 6.284 2.694 -0.965 1.00 0.00 C ATOM 547 CE1 TYR A 37 8.896 1.791 -1.519 1.00 0.00 C ATOM 548 CE2 TYR A 37 6.830 2.849 -2.248 1.00 0.00 C ATOM 549 CZ TYR A 37 8.122 2.362 -2.546 1.00 0.00 C ATOM 550 OH TYR A 37 8.647 2.442 -3.798 1.00 0.00 O ATOM 0 H TYR A 37 5.467 -0.566 0.806 1.00 0.00 H new ATOM 0 HA TYR A 37 7.683 0.506 2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.377 2.116 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.871 2.695 2.054 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.948 1.201 0.554 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.288 3.052 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.906 1.466 -1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.256 3.346 -3.016 1.00 0.00 H new ATOM 0 HH TYR A 37 7.932 2.336 -4.460 1.00 0.00 H new ATOM 560 N HIS A 38 6.114 0.984 4.432 1.00 0.00 N ATOM 561 CA HIS A 38 5.342 1.011 5.654 1.00 0.00 C ATOM 562 C HIS A 38 4.944 2.440 5.926 1.00 0.00 C ATOM 563 O HIS A 38 5.809 3.309 5.871 1.00 0.00 O ATOM 564 CB HIS A 38 6.197 0.495 6.821 1.00 0.00 C ATOM 565 CG HIS A 38 5.520 -0.640 7.574 1.00 0.00 C ATOM 566 ND1 HIS A 38 6.136 -1.695 8.208 1.00 0.00 N ATOM 567 CD2 HIS A 38 4.170 -0.790 7.776 1.00 0.00 C ATOM 568 CE1 HIS A 38 5.176 -2.476 8.736 1.00 0.00 C ATOM 569 NE2 HIS A 38 3.954 -1.981 8.473 1.00 0.00 N ATOM 0 H HIS A 38 7.045 1.386 4.543 1.00 0.00 H new ATOM 0 HA HIS A 38 4.460 0.379 5.553 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.159 0.152 6.440 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.400 1.315 7.510 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.404 -0.102 7.450 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.362 -3.380 9.296 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.056 -2.390 8.729 1.00 0.00 H new ATOM 577 N LEU A 39 3.663 2.712 6.150 1.00 0.00 N ATOM 578 CA LEU A 39 3.241 4.076 6.457 1.00 0.00 C ATOM 579 C LEU A 39 3.787 4.388 7.847 1.00 0.00 C ATOM 580 O LEU A 39 3.878 3.489 8.686 1.00 0.00 O ATOM 581 CB LEU A 39 1.711 4.205 6.454 1.00 0.00 C ATOM 582 CG LEU A 39 1.075 3.836 5.104 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.437 3.819 5.226 1.00 0.00 C ATOM 584 CD2 LEU A 39 1.409 4.821 3.979 1.00 0.00 C ATOM 0 H LEU A 39 2.911 2.023 6.126 1.00 0.00 H new ATOM 0 HA LEU A 39 3.617 4.770 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.297 3.562 7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.439 5.229 6.709 1.00 0.00 H new ATOM 0 HG LEU A 39 1.485 2.858 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.877 3.556 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.733 3.083 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.789 4.805 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.927 4.497 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.050 5.815 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.489 4.853 3.832 1.00 0.00 H new ATOM 596 N LYS A 40 4.133 5.647 8.103 1.00 0.00 N ATOM 597 CA LYS A 40 4.663 6.082 9.393 1.00 0.00 C ATOM 598 C LYS A 40 3.752 7.174 9.897 1.00 0.00 C ATOM 599 O LYS A 40 3.043 6.978 10.886 1.00 0.00 O ATOM 600 CB LYS A 40 6.140 6.512 9.280 1.00 0.00 C ATOM 601 CG LYS A 40 7.038 5.414 8.692 1.00 0.00 C ATOM 602 CD LYS A 40 7.152 4.134 9.542 1.00 0.00 C ATOM 603 CE LYS A 40 8.167 4.261 10.686 1.00 0.00 C ATOM 604 NZ LYS A 40 8.356 2.985 11.420 1.00 0.00 N ATOM 0 H LYS A 40 4.053 6.398 7.418 1.00 0.00 H new ATOM 0 HA LYS A 40 4.673 5.265 10.114 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.207 7.403 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.510 6.787 10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.657 5.144 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.037 5.824 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.174 3.892 9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.440 3.302 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.125 4.590 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.832 5.031 11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.050 3.122 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.449 2.682 11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.702 2.255 10.764 1.00 0.00 H new ATOM 618 N GLU A 41 3.733 8.296 9.185 1.00 0.00 N ATOM 619 CA GLU A 41 2.886 9.430 9.570 1.00 0.00 C ATOM 620 C GLU A 41 2.275 10.167 8.385 1.00 0.00 C ATOM 621 O GLU A 41 2.697 10.018 7.240 1.00 0.00 O ATOM 622 CB GLU A 41 3.676 10.406 10.458 1.00 0.00 C ATOM 623 CG GLU A 41 4.709 11.228 9.676 1.00 0.00 C ATOM 624 CD GLU A 41 5.832 11.731 10.582 1.00 0.00 C ATOM 625 OE1 GLU A 41 6.525 10.884 11.199 1.00 0.00 O ATOM 626 OE2 GLU A 41 6.054 12.965 10.683 1.00 0.00 O ATOM 0 H GLU A 41 4.289 8.449 8.343 1.00 0.00 H new ATOM 0 HA GLU A 41 2.050 9.012 10.131 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.980 11.084 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.185 9.845 11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.131 10.618 8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.216 12.077 9.202 1.00 0.00 H new ATOM 633 N LYS A 42 1.252 10.963 8.681 1.00 0.00 N ATOM 634 CA LYS A 42 0.514 11.793 7.739 1.00 0.00 C ATOM 635 C LYS A 42 1.344 13.056 7.581 1.00 0.00 C ATOM 636 O LYS A 42 1.875 13.560 8.578 1.00 0.00 O ATOM 637 CB LYS A 42 -0.907 12.063 8.280 1.00 0.00 C ATOM 638 CG LYS A 42 -1.916 12.468 7.187 1.00 0.00 C ATOM 639 CD LYS A 42 -1.938 13.962 6.859 1.00 0.00 C ATOM 640 CE LYS A 42 -2.712 14.743 7.923 1.00 0.00 C ATOM 641 NZ LYS A 42 -3.913 15.410 7.392 1.00 0.00 N ATOM 0 H LYS A 42 0.899 11.050 9.634 1.00 0.00 H new ATOM 0 HA LYS A 42 0.370 11.319 6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.271 11.168 8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.858 12.854 9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.687 11.913 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.914 12.164 7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.917 14.340 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.397 14.117 5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.005 14.063 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.054 15.491 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.457 15.822 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.629 16.164 6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.502 14.716 6.889 1.00 0.00 H new ATOM 655 N VAL A 43 1.469 13.570 6.366 1.00 0.00 N ATOM 656 CA VAL A 43 2.242 14.763 6.075 1.00 0.00 C ATOM 657 C VAL A 43 1.452 15.738 5.214 1.00 0.00 C ATOM 658 O VAL A 43 0.352 15.428 4.756 1.00 0.00 O ATOM 659 CB VAL A 43 3.574 14.362 5.410 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.457 13.535 6.356 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.400 13.607 4.090 1.00 0.00 C ATOM 0 H VAL A 43 1.028 13.161 5.543 1.00 0.00 H new ATOM 0 HA VAL A 43 2.462 15.281 7.009 1.00 0.00 H new ATOM 0 HB VAL A 43 4.067 15.307 5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.386 13.272 5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.682 14.120 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.930 12.625 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.379 13.358 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.837 12.690 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.859 14.234 3.381 1.00 0.00 H new ATOM 671 N ASP A 44 2.011 16.934 5.045 1.00 0.00 N ATOM 672 CA ASP A 44 1.426 17.989 4.233 1.00 0.00 C ATOM 673 C ASP A 44 2.046 17.918 2.837 1.00 0.00 C ATOM 674 O ASP A 44 3.033 17.219 2.581 1.00 0.00 O ATOM 675 CB ASP A 44 1.686 19.362 4.865 1.00 0.00 C ATOM 676 CG ASP A 44 0.643 20.438 4.517 1.00 0.00 C ATOM 677 OD1 ASP A 44 -0.065 20.326 3.484 1.00 0.00 O ATOM 678 OD2 ASP A 44 0.561 21.400 5.309 1.00 0.00 O ATOM 0 H ASP A 44 2.897 17.198 5.477 1.00 0.00 H new ATOM 0 HA ASP A 44 0.346 17.853 4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.722 19.247 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.669 19.712 4.549 1.00 0.00 H new ATOM 683 N GLU A 45 1.489 18.674 1.907 1.00 0.00 N ATOM 684 CA GLU A 45 1.937 18.742 0.542 1.00 0.00 C ATOM 685 C GLU A 45 3.262 19.497 0.440 1.00 0.00 C ATOM 686 O GLU A 45 3.928 19.416 -0.585 1.00 0.00 O ATOM 687 CB GLU A 45 0.815 19.333 -0.307 1.00 0.00 C ATOM 688 CG GLU A 45 0.739 20.857 -0.399 1.00 0.00 C ATOM 689 CD GLU A 45 0.167 21.263 -1.758 1.00 0.00 C ATOM 690 OE1 GLU A 45 0.640 20.754 -2.804 1.00 0.00 O ATOM 691 OE2 GLU A 45 -0.822 22.023 -1.792 1.00 0.00 O ATOM 0 H GLU A 45 0.686 19.274 2.096 1.00 0.00 H new ATOM 0 HA GLU A 45 2.152 17.747 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.912 18.938 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.134 18.970 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.112 21.249 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.731 21.289 -0.267 1.00 0.00 H new ATOM 698 N ASP A 46 3.656 20.239 1.478 1.00 0.00 N ATOM 699 CA ASP A 46 4.903 21.001 1.516 1.00 0.00 C ATOM 700 C ASP A 46 6.038 20.134 2.058 1.00 0.00 C ATOM 701 O ASP A 46 7.127 20.635 2.333 1.00 0.00 O ATOM 702 CB ASP A 46 4.731 22.321 2.292 1.00 0.00 C ATOM 703 CG ASP A 46 4.313 23.475 1.385 1.00 0.00 C ATOM 704 OD1 ASP A 46 4.746 23.572 0.217 1.00 0.00 O ATOM 705 OD2 ASP A 46 3.501 24.314 1.838 1.00 0.00 O ATOM 0 H ASP A 46 3.105 20.327 2.332 1.00 0.00 H new ATOM 0 HA ASP A 46 5.174 21.285 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.983 22.186 3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.668 22.573 2.789 1.00 0.00 H new ATOM 710 N LYS A 47 5.800 18.829 2.257 1.00 0.00 N ATOM 711 CA LYS A 47 6.801 17.879 2.737 1.00 0.00 C ATOM 712 C LYS A 47 7.300 17.011 1.587 1.00 0.00 C ATOM 713 O LYS A 47 8.354 16.384 1.716 1.00 0.00 O ATOM 714 CB LYS A 47 6.235 17.008 3.864 1.00 0.00 C ATOM 715 CG LYS A 47 5.414 17.798 4.887 1.00 0.00 C ATOM 716 CD LYS A 47 6.110 19.054 5.440 1.00 0.00 C ATOM 717 CE LYS A 47 5.795 19.295 6.915 1.00 0.00 C ATOM 718 NZ LYS A 47 6.455 18.287 7.773 1.00 0.00 N ATOM 0 H LYS A 47 4.890 18.402 2.085 1.00 0.00 H new ATOM 0 HA LYS A 47 7.643 18.443 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.609 16.228 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.058 16.509 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.472 18.095 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.167 17.140 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.188 18.954 5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.800 19.923 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.125 20.293 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.717 19.259 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.471 18.625 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.929 17.391 7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.430 18.135 7.443 1.00 0.00 H new ATOM 732 N LYS A 48 6.517 16.912 0.505 1.00 0.00 N ATOM 733 CA LYS A 48 6.864 16.153 -0.683 1.00 0.00 C ATOM 734 C LYS A 48 7.909 16.955 -1.452 1.00 0.00 C ATOM 735 O LYS A 48 7.878 18.186 -1.424 1.00 0.00 O ATOM 736 CB LYS A 48 5.580 15.895 -1.503 1.00 0.00 C ATOM 737 CG LYS A 48 5.089 17.057 -2.385 1.00 0.00 C ATOM 738 CD LYS A 48 3.571 17.021 -2.634 1.00 0.00 C ATOM 739 CE LYS A 48 3.165 18.245 -3.460 1.00 0.00 C ATOM 740 NZ LYS A 48 1.714 18.376 -3.688 1.00 0.00 N ATOM 0 H LYS A 48 5.608 17.370 0.439 1.00 0.00 H new ATOM 0 HA LYS A 48 7.289 15.178 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.751 15.029 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.780 15.629 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.352 18.003 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.610 17.025 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.299 16.106 -3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.035 17.014 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.523 19.143 -2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.669 18.199 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.498 18.159 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.204 17.713 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.415 19.349 -3.473 1.00 0.00 H new ATOM 754 N GLY A 49 8.770 16.284 -2.206 1.00 0.00 N ATOM 755 CA GLY A 49 9.797 16.968 -2.987 1.00 0.00 C ATOM 756 C GLY A 49 9.473 16.976 -4.470 1.00 0.00 C ATOM 757 O GLY A 49 9.767 17.939 -5.184 1.00 0.00 O ATOM 0 H GLY A 49 8.779 15.268 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.899 17.994 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.758 16.479 -2.829 1.00 0.00 H new ATOM 761 N LYS A 50 8.838 15.907 -4.950 1.00 0.00 N ATOM 762 CA LYS A 50 8.459 15.705 -6.340 1.00 0.00 C ATOM 763 C LYS A 50 7.659 14.423 -6.444 1.00 0.00 C ATOM 764 O LYS A 50 7.769 13.570 -5.559 1.00 0.00 O ATOM 765 CB LYS A 50 9.739 15.543 -7.194 1.00 0.00 C ATOM 766 CG LYS A 50 10.756 14.530 -6.617 1.00 0.00 C ATOM 767 CD LYS A 50 12.116 14.595 -7.315 1.00 0.00 C ATOM 768 CE LYS A 50 12.152 13.820 -8.631 1.00 0.00 C ATOM 769 NZ LYS A 50 13.340 14.204 -9.413 1.00 0.00 N ATOM 0 H LYS A 50 8.564 15.128 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 50 7.873 16.555 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.456 15.226 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.224 16.514 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.889 14.722 -5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.352 13.522 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.370 15.638 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.880 14.199 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.170 12.749 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.248 14.022 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.355 13.671 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.306 15.223 -9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.199 13.989 -8.867 1.00 0.00 H new ATOM 783 N VAL A 51 6.831 14.303 -7.476 1.00 0.00 N ATOM 784 CA VAL A 51 6.056 13.096 -7.735 1.00 0.00 C ATOM 785 C VAL A 51 7.081 12.104 -8.292 1.00 0.00 C ATOM 786 O VAL A 51 8.063 12.513 -8.922 1.00 0.00 O ATOM 787 CB VAL A 51 4.916 13.429 -8.717 1.00 0.00 C ATOM 788 CG1 VAL A 51 4.315 12.200 -9.402 1.00 0.00 C ATOM 789 CG2 VAL A 51 3.802 14.157 -7.963 1.00 0.00 C ATOM 0 H VAL A 51 6.678 15.044 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 51 5.565 12.674 -6.858 1.00 0.00 H new ATOM 0 HB VAL A 51 5.353 14.051 -9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.519 12.513 -10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.090 11.684 -9.968 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.907 11.527 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.992 14.396 -8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.424 13.517 -7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.195 15.078 -7.533 1.00 0.00 H new ATOM 799 N ILE A 52 6.873 10.813 -8.034 1.00 0.00 N ATOM 800 CA ILE A 52 7.773 9.757 -8.498 1.00 0.00 C ATOM 801 C ILE A 52 7.020 8.593 -9.148 1.00 0.00 C ATOM 802 O ILE A 52 7.593 7.899 -9.985 1.00 0.00 O ATOM 803 CB ILE A 52 8.708 9.291 -7.359 1.00 0.00 C ATOM 804 CG1 ILE A 52 7.936 8.688 -6.162 1.00 0.00 C ATOM 805 CG2 ILE A 52 9.607 10.465 -6.930 1.00 0.00 C ATOM 806 CD1 ILE A 52 8.841 8.078 -5.087 1.00 0.00 C ATOM 0 H ILE A 52 6.076 10.470 -7.498 1.00 0.00 H new ATOM 0 HA ILE A 52 8.399 10.181 -9.283 1.00 0.00 H new ATOM 0 HB ILE A 52 9.332 8.482 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.322 9.466 -5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.256 7.920 -6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.269 10.142 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.203 10.796 -7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.986 11.289 -6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.228 7.676 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.436 7.277 -5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.504 8.847 -4.690 1.00 0.00 H new ATOM 818 N GLY A 53 5.745 8.404 -8.809 1.00 0.00 N ATOM 819 CA GLY A 53 4.892 7.347 -9.339 1.00 0.00 C ATOM 820 C GLY A 53 3.462 7.616 -8.893 1.00 0.00 C ATOM 821 O GLY A 53 3.223 8.628 -8.233 1.00 0.00 O ATOM 0 H GLY A 53 5.265 9.002 -8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.952 7.321 -10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.225 6.374 -8.978 1.00 0.00 H new ATOM 825 N ALA A 54 2.488 6.773 -9.241 1.00 0.00 N ATOM 826 CA ALA A 54 1.104 6.972 -8.850 1.00 0.00 C ATOM 827 C ALA A 54 0.298 5.679 -8.733 1.00 0.00 C ATOM 828 O ALA A 54 0.118 4.997 -9.745 1.00 0.00 O ATOM 829 CB ALA A 54 0.426 7.902 -9.860 1.00 0.00 C ATOM 0 H ALA A 54 2.643 5.935 -9.802 1.00 0.00 H new ATOM 0 HA ALA A 54 1.124 7.412 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.614 8.056 -9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.944 8.861 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.465 7.452 -10.852 1.00 0.00 H new ATOM 835 N ILE A 55 -0.250 5.361 -7.559 1.00 0.00 N ATOM 836 CA ILE A 55 -1.038 4.140 -7.397 1.00 0.00 C ATOM 837 C ILE A 55 -2.389 4.344 -8.105 1.00 0.00 C ATOM 838 O ILE A 55 -2.713 3.660 -9.071 1.00 0.00 O ATOM 839 CB ILE A 55 -1.218 3.826 -5.892 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.112 3.700 -5.122 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.045 2.560 -5.687 1.00 0.00 C ATOM 842 CD1 ILE A 55 -0.091 3.584 -3.604 1.00 0.00 C ATOM 0 H ILE A 55 -0.164 5.926 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.530 3.286 -7.845 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.748 4.685 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.653 2.824 -5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.735 4.569 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.154 2.365 -4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.030 2.693 -6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.542 1.716 -6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.878 3.498 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.606 4.472 -3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.689 2.700 -3.383 1.00 0.00 H new ATOM 854 N GLY A 56 -3.164 5.352 -7.679 1.00 0.00 N ATOM 855 CA GLY A 56 -4.476 5.663 -8.252 1.00 0.00 C ATOM 856 C GLY A 56 -5.500 4.514 -8.263 1.00 0.00 C ATOM 857 O GLY A 56 -6.540 4.656 -8.904 1.00 0.00 O ATOM 0 H GLY A 56 -2.893 5.978 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.903 6.498 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.331 6.003 -9.277 1.00 0.00 H new ATOM 861 N GLN A 57 -5.228 3.367 -7.638 1.00 0.00 N ATOM 862 CA GLN A 57 -6.126 2.221 -7.621 1.00 0.00 C ATOM 863 C GLN A 57 -7.255 2.417 -6.611 1.00 0.00 C ATOM 864 O GLN A 57 -7.235 3.352 -5.806 1.00 0.00 O ATOM 865 CB GLN A 57 -5.320 0.951 -7.296 1.00 0.00 C ATOM 866 CG GLN A 57 -4.176 0.703 -8.292 1.00 0.00 C ATOM 867 CD GLN A 57 -3.896 -0.782 -8.489 1.00 0.00 C ATOM 868 OE1 GLN A 57 -4.484 -1.389 -9.383 1.00 0.00 O ATOM 869 NE2 GLN A 57 -3.033 -1.369 -7.669 1.00 0.00 N ATOM 0 H GLN A 57 -4.362 3.210 -7.122 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.585 2.118 -8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.909 1.034 -6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.989 0.091 -7.296 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.428 1.154 -9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.272 1.197 -7.935 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.569 -0.824 -6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.834 -2.365 -7.766 1.00 0.00 H new ATOM 878 N THR A 58 -8.269 1.558 -6.649 1.00 0.00 N ATOM 879 CA THR A 58 -9.398 1.598 -5.737 1.00 0.00 C ATOM 880 C THR A 58 -9.886 0.172 -5.484 1.00 0.00 C ATOM 881 O THR A 58 -10.045 -0.601 -6.429 1.00 0.00 O ATOM 882 CB THR A 58 -10.542 2.474 -6.268 1.00 0.00 C ATOM 883 OG1 THR A 58 -10.088 3.770 -6.636 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.633 2.677 -5.209 1.00 0.00 C ATOM 0 H THR A 58 -8.326 0.801 -7.330 1.00 0.00 H new ATOM 0 HA THR A 58 -9.066 2.049 -4.802 1.00 0.00 H new ATOM 0 HB THR A 58 -10.936 1.945 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.843 4.298 -6.970 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.427 3.302 -5.619 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.045 1.710 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.204 3.164 -4.333 1.00 0.00 H new ATOM 892 N PHE A 59 -10.127 -0.183 -4.220 1.00 0.00 N ATOM 893 CA PHE A 59 -10.620 -1.498 -3.822 1.00 0.00 C ATOM 894 C PHE A 59 -11.582 -1.348 -2.629 1.00 0.00 C ATOM 895 O PHE A 59 -11.758 -0.234 -2.123 1.00 0.00 O ATOM 896 CB PHE A 59 -9.450 -2.443 -3.496 1.00 0.00 C ATOM 897 CG PHE A 59 -8.414 -2.635 -4.593 1.00 0.00 C ATOM 898 CD1 PHE A 59 -8.729 -3.410 -5.725 1.00 0.00 C ATOM 899 CD2 PHE A 59 -7.126 -2.067 -4.482 1.00 0.00 C ATOM 900 CE1 PHE A 59 -7.773 -3.595 -6.737 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.158 -2.276 -5.482 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.492 -3.028 -6.622 1.00 0.00 C ATOM 0 H PHE A 59 -9.982 0.449 -3.432 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.170 -1.944 -4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.942 -2.066 -2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.860 -3.419 -3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.706 -3.862 -5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.881 -1.465 -3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.024 -4.178 -7.611 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.166 -1.862 -5.375 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.765 -3.170 -7.408 1.00 0.00 H new ATOM 912 N PHE A 60 -12.213 -2.441 -2.171 1.00 0.00 N ATOM 913 CA PHE A 60 -13.154 -2.423 -1.039 1.00 0.00 C ATOM 914 C PHE A 60 -13.083 -3.689 -0.178 1.00 0.00 C ATOM 915 O PHE A 60 -12.804 -4.769 -0.716 1.00 0.00 O ATOM 916 CB PHE A 60 -14.601 -2.341 -1.550 1.00 0.00 C ATOM 917 CG PHE A 60 -14.933 -1.195 -2.479 1.00 0.00 C ATOM 918 CD1 PHE A 60 -14.701 -1.324 -3.859 1.00 0.00 C ATOM 919 CD2 PHE A 60 -15.503 -0.012 -1.976 1.00 0.00 C ATOM 920 CE1 PHE A 60 -15.006 -0.264 -4.725 1.00 0.00 C ATOM 921 CE2 PHE A 60 -15.833 1.038 -2.848 1.00 0.00 C ATOM 922 CZ PHE A 60 -15.575 0.919 -4.226 1.00 0.00 C ATOM 0 H PHE A 60 -12.084 -3.367 -2.578 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.871 -1.556 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.833 -3.273 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.263 -2.281 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.287 -2.241 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.687 0.089 -0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.802 -0.358 -5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.286 1.939 -2.460 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.813 1.732 -4.896 1.00 0.00 H new ATOM 932 N VAL A 61 -13.342 -3.584 1.134 1.00 0.00 N ATOM 933 CA VAL A 61 -13.361 -4.712 2.067 1.00 0.00 C ATOM 934 C VAL A 61 -14.551 -4.546 3.012 1.00 0.00 C ATOM 935 O VAL A 61 -15.159 -3.472 3.077 1.00 0.00 O ATOM 936 CB VAL A 61 -12.073 -4.905 2.888 1.00 0.00 C ATOM 937 CG1 VAL A 61 -10.858 -5.158 2.020 1.00 0.00 C ATOM 938 CG2 VAL A 61 -11.767 -3.725 3.802 1.00 0.00 C ATOM 0 H VAL A 61 -13.548 -2.691 1.582 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.446 -5.610 1.455 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.273 -5.786 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.979 -5.286 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.015 -6.060 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.704 -4.310 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.848 -3.921 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.645 -2.823 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.589 -3.586 4.504 1.00 0.00 H new ATOM 948 N ASP A 62 -14.896 -5.618 3.712 1.00 0.00 N ATOM 949 CA ASP A 62 -15.972 -5.684 4.692 1.00 0.00 C ATOM 950 C ASP A 62 -15.374 -5.484 6.091 1.00 0.00 C ATOM 951 O ASP A 62 -14.217 -5.074 6.226 1.00 0.00 O ATOM 952 CB ASP A 62 -16.738 -7.007 4.543 1.00 0.00 C ATOM 953 CG ASP A 62 -16.024 -8.151 5.256 1.00 0.00 C ATOM 954 OD1 ASP A 62 -14.789 -8.245 5.118 1.00 0.00 O ATOM 955 OD2 ASP A 62 -16.688 -8.863 6.040 1.00 0.00 O ATOM 0 H ASP A 62 -14.410 -6.508 3.607 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.701 -4.890 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.743 -6.894 4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.847 -7.248 3.486 1.00 0.00 H new ATOM 960 N GLY A 63 -16.175 -5.691 7.138 1.00 0.00 N ATOM 961 CA GLY A 63 -15.727 -5.548 8.517 1.00 0.00 C ATOM 962 C GLY A 63 -14.755 -6.638 8.924 1.00 0.00 C ATOM 963 O GLY A 63 -13.998 -6.457 9.883 1.00 0.00 O ATOM 0 H GLY A 63 -17.154 -5.963 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.252 -4.575 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.591 -5.569 9.181 1.00 0.00 H new ATOM 967 N ASP A 64 -14.770 -7.768 8.219 1.00 0.00 N ATOM 968 CA ASP A 64 -13.889 -8.880 8.527 1.00 0.00 C ATOM 969 C ASP A 64 -12.547 -8.751 7.809 1.00 0.00 C ATOM 970 O ASP A 64 -11.547 -9.294 8.277 1.00 0.00 O ATOM 971 CB ASP A 64 -14.590 -10.210 8.233 1.00 0.00 C ATOM 972 CG ASP A 64 -13.931 -11.363 8.988 1.00 0.00 C ATOM 973 OD1 ASP A 64 -13.531 -11.183 10.165 1.00 0.00 O ATOM 974 OD2 ASP A 64 -13.895 -12.484 8.429 1.00 0.00 O ATOM 0 H ASP A 64 -15.390 -7.933 7.426 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.662 -8.858 9.593 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.640 -10.140 8.516 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.561 -10.410 7.162 1.00 0.00 H new ATOM 979 N GLY A 65 -12.490 -7.944 6.745 1.00 0.00 N ATOM 980 CA GLY A 65 -11.302 -7.682 5.948 1.00 0.00 C ATOM 981 C GLY A 65 -11.220 -8.523 4.672 1.00 0.00 C ATOM 982 O GLY A 65 -10.112 -8.782 4.206 1.00 0.00 O ATOM 0 H GLY A 65 -13.308 -7.437 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.282 -6.626 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.418 -7.873 6.556 1.00 0.00 H new ATOM 986 N LYS A 66 -12.330 -9.006 4.121 1.00 0.00 N ATOM 987 CA LYS A 66 -12.358 -9.812 2.904 1.00 0.00 C ATOM 988 C LYS A 66 -12.484 -8.879 1.709 1.00 0.00 C ATOM 989 O LYS A 66 -13.287 -7.941 1.752 1.00 0.00 O ATOM 990 CB LYS A 66 -13.564 -10.779 2.925 1.00 0.00 C ATOM 991 CG LYS A 66 -13.154 -12.263 3.026 1.00 0.00 C ATOM 992 CD LYS A 66 -13.980 -13.189 2.121 1.00 0.00 C ATOM 993 CE LYS A 66 -13.749 -12.882 0.633 1.00 0.00 C ATOM 994 NZ LYS A 66 -14.471 -13.816 -0.249 1.00 0.00 N ATOM 0 H LYS A 66 -13.256 -8.844 4.517 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.442 -10.398 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.207 -10.529 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.154 -10.633 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.100 -12.359 2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.258 -12.591 4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.716 -14.227 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.039 -13.078 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.071 -11.863 0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.682 -12.931 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.285 -13.570 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.146 -14.787 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.492 -13.751 -0.062 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.704 -9.117 0.655 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.751 -8.321 -0.559 1.00 0.00 C ATOM 1010 C ARG A 67 -13.114 -8.597 -1.173 1.00 0.00 C ATOM 1011 O ARG A 67 -13.467 -9.761 -1.369 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.589 -8.719 -1.494 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.637 -7.557 -1.776 1.00 0.00 C ATOM 1014 CD ARG A 67 -10.210 -6.589 -2.816 1.00 0.00 C ATOM 1015 NE ARG A 67 -10.229 -7.208 -4.137 1.00 0.00 N ATOM 1016 CZ ARG A 67 -10.942 -6.914 -5.226 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -12.056 -6.202 -5.170 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -10.528 -7.345 -6.404 1.00 0.00 N ATOM 0 H ARG A 67 -11.020 -9.873 0.625 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.631 -7.254 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.031 -9.540 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.995 -9.088 -2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.437 -7.018 -0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.683 -7.947 -2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.221 -6.297 -2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.610 -5.679 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.591 -7.997 -4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.397 -5.858 -4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.574 -5.997 -6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.672 -7.896 -6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.064 -7.127 -7.244 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.894 -7.547 -1.415 1.00 0.00 N ATOM 1033 CA TRP A 68 -15.220 -7.695 -2.011 1.00 0.00 C ATOM 1034 C TRP A 68 -15.012 -8.118 -3.452 1.00 0.00 C ATOM 1035 O TRP A 68 -14.194 -7.504 -4.139 1.00 0.00 O ATOM 1036 CB TRP A 68 -15.982 -6.368 -2.023 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.791 -6.027 -0.814 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.328 -5.813 0.435 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -18.238 -5.901 -0.726 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.377 -5.495 1.275 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.584 -5.562 0.613 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.292 -6.044 -1.653 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -19.914 -5.358 1.005 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.630 -5.860 -1.265 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -20.940 -5.513 0.060 1.00 0.00 C ATOM 0 H TRP A 68 -13.631 -6.583 -1.208 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.794 -8.419 -1.433 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.260 -5.567 -2.182 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.650 -6.371 -2.885 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.292 -5.880 0.733 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.272 -5.243 2.258 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -19.067 -6.299 -2.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -20.147 -5.084 2.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.422 -5.986 -1.988 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -21.969 -5.365 0.352 1.00 0.00 H new ATOM 1056 N SER A 69 -15.711 -9.145 -3.909 1.00 0.00 N ATOM 1057 CA SER A 69 -15.593 -9.606 -5.279 1.00 0.00 C ATOM 1058 C SER A 69 -16.345 -8.623 -6.178 1.00 0.00 C ATOM 1059 O SER A 69 -17.383 -8.079 -5.792 1.00 0.00 O ATOM 1060 CB SER A 69 -16.206 -11.003 -5.406 1.00 0.00 C ATOM 1061 OG SER A 69 -15.794 -11.865 -4.362 1.00 0.00 O ATOM 0 H SER A 69 -16.371 -9.678 -3.343 1.00 0.00 H new ATOM 0 HA SER A 69 -14.545 -9.658 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 69 -17.293 -10.923 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 69 -15.923 -11.436 -6.365 1.00 0.00 H new ATOM 0 HG SER A 69 -16.296 -11.655 -3.547 1.00 0.00 H new ATOM 1067 N GLU A 70 -15.915 -8.478 -7.429 1.00 0.00 N ATOM 1068 CA GLU A 70 -16.533 -7.577 -8.399 1.00 0.00 C ATOM 1069 C GLU A 70 -18.014 -7.937 -8.613 1.00 0.00 C ATOM 1070 O GLU A 70 -18.847 -7.064 -8.855 1.00 0.00 O ATOM 1071 CB GLU A 70 -15.732 -7.605 -9.706 1.00 0.00 C ATOM 1072 CG GLU A 70 -14.406 -6.832 -9.589 1.00 0.00 C ATOM 1073 CD GLU A 70 -13.418 -7.380 -8.549 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -13.254 -8.622 -8.442 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -12.852 -6.559 -7.791 1.00 0.00 O ATOM 0 H GLU A 70 -15.116 -8.990 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.513 -6.557 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.525 -8.639 -9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.332 -7.175 -10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.918 -6.830 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.630 -5.794 -9.342 1.00 0.00 H new ATOM 1082 N GLU A 71 -18.347 -9.216 -8.453 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.668 -9.819 -8.584 1.00 0.00 C ATOM 1084 C GLU A 71 -20.612 -9.291 -7.503 1.00 0.00 C ATOM 1085 O GLU A 71 -21.821 -9.209 -7.716 1.00 0.00 O ATOM 1086 CB GLU A 71 -19.511 -11.340 -8.456 1.00 0.00 C ATOM 1087 CG GLU A 71 -18.593 -11.892 -9.554 1.00 0.00 C ATOM 1088 CD GLU A 71 -18.195 -13.340 -9.300 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -19.079 -14.214 -9.172 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -16.971 -13.592 -9.192 1.00 0.00 O ATOM 0 H GLU A 71 -17.642 -9.912 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 71 -20.098 -9.563 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -19.101 -11.586 -7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.489 -11.817 -8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.098 -11.820 -10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.696 -11.277 -9.618 1.00 0.00 H new ATOM 1097 N GLU A 72 -20.075 -9.025 -6.312 1.00 0.00 N ATOM 1098 CA GLU A 72 -20.802 -8.479 -5.164 1.00 0.00 C ATOM 1099 C GLU A 72 -20.960 -6.963 -5.341 1.00 0.00 C ATOM 1100 O GLU A 72 -21.973 -6.368 -4.978 1.00 0.00 O ATOM 1101 CB GLU A 72 -20.051 -8.748 -3.852 1.00 0.00 C ATOM 1102 CG GLU A 72 -19.874 -10.235 -3.547 1.00 0.00 C ATOM 1103 CD GLU A 72 -19.021 -10.424 -2.295 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -17.778 -10.360 -2.417 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -19.588 -10.677 -1.207 1.00 0.00 O ATOM 0 H GLU A 72 -19.088 -9.189 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.777 -8.965 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.070 -8.275 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.591 -8.278 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.849 -10.702 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.403 -10.733 -4.394 1.00 0.00 H new ATOM 1112 N LEU A 73 -19.939 -6.314 -5.904 1.00 0.00 N ATOM 1113 CA LEU A 73 -19.927 -4.875 -6.133 1.00 0.00 C ATOM 1114 C LEU A 73 -20.956 -4.436 -7.180 1.00 0.00 C ATOM 1115 O LEU A 73 -21.552 -3.366 -7.021 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.512 -4.432 -6.556 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.425 -4.594 -5.475 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -16.068 -4.126 -6.012 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -17.748 -3.807 -4.201 1.00 0.00 C ATOM 0 H LEU A 73 -19.088 -6.782 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.205 -4.391 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.216 -5.005 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.551 -3.385 -6.856 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.390 -5.654 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.310 -4.246 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.796 -4.723 -6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.132 -3.076 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.952 -3.954 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.830 -2.747 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -18.692 -4.160 -3.785 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.189 -5.238 -8.227 1.00 0.00 N ATOM 1132 CA LYS A 74 -22.133 -4.907 -9.301 1.00 0.00 C ATOM 1133 C LYS A 74 -23.598 -5.174 -8.958 1.00 0.00 C ATOM 1134 O LYS A 74 -24.458 -4.845 -9.778 1.00 0.00 O ATOM 1135 CB LYS A 74 -21.756 -5.676 -10.580 1.00 0.00 C ATOM 1136 CG LYS A 74 -22.182 -7.151 -10.513 1.00 0.00 C ATOM 1137 CD LYS A 74 -21.412 -8.058 -11.468 1.00 0.00 C ATOM 1138 CE LYS A 74 -21.667 -7.717 -12.940 1.00 0.00 C ATOM 1139 NZ LYS A 74 -20.779 -8.498 -13.823 1.00 0.00 N ATOM 0 H LYS A 74 -20.726 -6.138 -8.353 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.049 -3.831 -9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.228 -5.201 -11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.679 -5.617 -10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.046 -7.513 -9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -23.246 -7.223 -10.737 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.345 -7.976 -11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.694 -9.095 -11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.708 -7.923 -13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -21.504 -6.652 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.970 -8.250 -14.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.787 -8.282 -13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.953 -9.513 -13.680 1.00 0.00 H new ATOM 1321 N ARG A 86 -23.311 -6.346 4.009 1.00 0.00 N ATOM 1322 CA ARG A 86 -22.095 -6.168 4.786 1.00 0.00 C ATOM 1323 C ARG A 86 -21.572 -4.763 4.588 1.00 0.00 C ATOM 1324 O ARG A 86 -21.960 -4.094 3.627 1.00 0.00 O ATOM 1325 CB ARG A 86 -21.069 -7.242 4.381 1.00 0.00 C ATOM 1326 CG ARG A 86 -20.346 -7.816 5.601 1.00 0.00 C ATOM 1327 CD ARG A 86 -21.310 -8.619 6.480 1.00 0.00 C ATOM 1328 NE ARG A 86 -20.619 -9.412 7.501 1.00 0.00 N ATOM 1329 CZ ARG A 86 -21.174 -10.453 8.134 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -22.439 -10.788 7.905 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -20.474 -11.168 9.006 1.00 0.00 N ATOM 0 HA ARG A 86 -22.297 -6.293 5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.574 -8.045 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.340 -6.810 3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.526 -8.456 5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -19.906 -7.006 6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -22.006 -7.936 6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.902 -9.283 5.850 1.00 0.00 H new ATOM 0 HE ARG A 86 -19.662 -9.156 7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.997 -10.250 7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -22.852 -11.583 8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -19.502 -10.927 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.908 -11.959 9.482 1.00 0.00 H new ATOM 1345 N GLU A 87 -20.741 -4.289 5.512 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.160 -2.959 5.391 1.00 0.00 C ATOM 1347 C GLU A 87 -19.204 -2.971 4.197 1.00 0.00 C ATOM 1348 O GLU A 87 -18.710 -4.030 3.794 1.00 0.00 O ATOM 1349 CB GLU A 87 -19.485 -2.507 6.683 1.00 0.00 C ATOM 1350 CG GLU A 87 -18.325 -3.375 7.130 1.00 0.00 C ATOM 1351 CD GLU A 87 -17.899 -2.957 8.536 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -17.415 -1.817 8.695 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -18.023 -3.760 9.494 1.00 0.00 O ATOM 0 H GLU A 87 -20.457 -4.803 6.346 1.00 0.00 H new ATOM 0 HA GLU A 87 -20.946 -2.224 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.127 -1.486 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.231 -2.484 7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.617 -4.425 7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.489 -3.271 6.438 1.00 0.00 H new ATOM 1360 N LYS A 88 -18.909 -1.799 3.641 1.00 0.00 N ATOM 1361 CA LYS A 88 -18.031 -1.702 2.487 1.00 0.00 C ATOM 1362 C LYS A 88 -17.135 -0.487 2.630 1.00 0.00 C ATOM 1363 O LYS A 88 -17.512 0.631 2.271 1.00 0.00 O ATOM 1364 CB LYS A 88 -18.923 -1.697 1.243 1.00 0.00 C ATOM 1365 CG LYS A 88 -18.104 -1.884 -0.035 1.00 0.00 C ATOM 1366 CD LYS A 88 -18.975 -2.398 -1.179 1.00 0.00 C ATOM 1367 CE LYS A 88 -20.141 -1.471 -1.524 1.00 0.00 C ATOM 1368 NZ LYS A 88 -21.202 -2.166 -2.277 1.00 0.00 N ATOM 0 H LYS A 88 -19.268 -0.904 3.974 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.348 -2.547 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.663 -2.493 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.471 -0.756 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.648 -0.936 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.291 -2.586 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.354 -2.533 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -19.368 -3.379 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -20.560 -1.060 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.773 -0.630 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -21.971 -1.499 -2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -20.811 -2.537 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -21.573 -2.953 -1.707 1.00 0.00 H new ATOM 1382 N LYS A 89 -15.918 -0.724 3.110 1.00 0.00 N ATOM 1383 CA LYS A 89 -14.869 0.246 3.359 1.00 0.00 C ATOM 1384 C LYS A 89 -14.110 0.507 2.056 1.00 0.00 C ATOM 1385 O LYS A 89 -13.414 -0.402 1.596 1.00 0.00 O ATOM 1386 CB LYS A 89 -13.901 -0.308 4.429 1.00 0.00 C ATOM 1387 CG LYS A 89 -14.584 -0.852 5.696 1.00 0.00 C ATOM 1388 CD LYS A 89 -13.550 -1.460 6.646 1.00 0.00 C ATOM 1389 CE LYS A 89 -14.215 -2.356 7.688 1.00 0.00 C ATOM 1390 NZ LYS A 89 -14.758 -1.610 8.841 1.00 0.00 N ATOM 0 H LYS A 89 -15.623 -1.670 3.351 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.303 1.179 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.306 -1.105 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.209 0.483 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.121 -0.048 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.322 -1.606 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.824 -2.039 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.999 -0.663 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.022 -2.915 7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.489 -3.086 8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.601 -2.156 9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.278 -0.691 8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.778 -1.457 8.707 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.278 1.666 1.401 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.564 1.994 0.177 1.00 0.00 C ATOM 1406 C PRO A 90 -12.101 2.305 0.507 1.00 0.00 C ATOM 1407 O PRO A 90 -11.798 2.898 1.546 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.273 3.236 -0.374 1.00 0.00 C ATOM 1409 CG PRO A 90 -14.799 3.936 0.876 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.089 2.786 1.838 1.00 0.00 C ATOM 0 HA PRO A 90 -13.566 1.178 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.588 3.874 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.082 2.967 -1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.063 4.627 1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.697 4.516 0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.843 3.066 2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.148 2.527 1.824 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.200 2.000 -0.425 1.00 0.00 N ATOM 1419 CA LEU A 91 -9.765 2.210 -0.310 1.00 0.00 C ATOM 1420 C LEU A 91 -9.351 2.871 -1.622 1.00 0.00 C ATOM 1421 O LEU A 91 -9.237 2.182 -2.628 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.047 0.851 -0.117 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.554 -0.033 1.039 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -8.941 -1.427 0.920 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.211 0.533 2.413 1.00 0.00 C ATOM 0 H LEU A 91 -11.465 1.582 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.500 2.830 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.133 0.284 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.986 1.044 0.041 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.640 -0.070 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.299 -2.053 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.231 -1.872 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.855 -1.352 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.594 -0.133 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.129 0.619 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.665 1.518 2.525 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.224 4.198 -1.667 1.00 0.00 N ATOM 1438 CA ARG A 92 -8.855 5.015 -2.818 1.00 0.00 C ATOM 1439 C ARG A 92 -7.403 5.443 -2.682 1.00 0.00 C ATOM 1440 O ARG A 92 -7.046 6.332 -1.900 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.763 6.245 -2.867 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.134 5.878 -3.439 1.00 0.00 C ATOM 1443 CD ARG A 92 -11.986 7.140 -3.439 1.00 0.00 C ATOM 1444 NE ARG A 92 -13.143 7.030 -4.338 1.00 0.00 N ATOM 1445 CZ ARG A 92 -14.025 8.007 -4.571 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -13.940 9.167 -3.921 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -14.988 7.791 -5.462 1.00 0.00 N ATOM 0 H ARG A 92 -9.389 4.769 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.973 4.443 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.879 6.658 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.302 7.020 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.034 5.484 -4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.603 5.099 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.334 7.341 -2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.373 7.990 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.284 6.142 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.197 9.316 -3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.618 9.906 -4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.041 6.896 -5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.674 8.520 -5.658 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.552 4.789 -3.452 1.00 0.00 N ATOM 1462 CA TYR A 93 -5.135 5.054 -3.439 1.00 0.00 C ATOM 1463 C TYR A 93 -4.841 6.221 -4.364 1.00 0.00 C ATOM 1464 O TYR A 93 -5.439 6.401 -5.424 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.365 3.795 -3.794 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.563 2.668 -2.800 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -5.661 1.794 -2.931 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -3.681 2.527 -1.712 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -5.883 0.792 -1.970 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -3.899 1.526 -0.750 1.00 0.00 C ATOM 1471 CZ TYR A 93 -5.005 0.656 -0.872 1.00 0.00 C ATOM 1472 OH TYR A 93 -5.241 -0.307 0.058 1.00 0.00 O ATOM 0 H TYR A 93 -6.831 4.057 -4.105 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.805 5.340 -2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.674 3.456 -4.783 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.303 4.033 -3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.333 1.894 -3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.834 3.190 -1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.726 0.125 -2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.220 1.422 0.083 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.547 -0.272 0.749 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.875 6.992 -3.915 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.252 8.187 -4.322 1.00 0.00 C ATOM 1484 C GLY A 94 -1.886 8.081 -4.978 1.00 0.00 C ATOM 1485 O GLY A 94 -1.321 7.001 -5.163 1.00 0.00 O ATOM 0 H GLY A 94 -3.425 6.694 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.920 8.694 -5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.155 8.830 -3.447 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.478 9.191 -5.582 1.00 0.00 N ATOM 1490 CA LYS A 95 -0.196 9.303 -6.254 1.00 0.00 C ATOM 1491 C LYS A 95 0.935 9.184 -5.215 1.00 0.00 C ATOM 1492 O LYS A 95 0.684 9.219 -4.010 1.00 0.00 O ATOM 1493 CB LYS A 95 -0.189 10.675 -6.925 1.00 0.00 C ATOM 1494 CG LYS A 95 0.943 10.895 -7.933 1.00 0.00 C ATOM 1495 CD LYS A 95 0.623 12.009 -8.943 1.00 0.00 C ATOM 1496 CE LYS A 95 -0.650 11.755 -9.767 1.00 0.00 C ATOM 1497 NZ LYS A 95 -1.841 12.428 -9.200 1.00 0.00 N ATOM 0 H LYS A 95 -2.035 10.044 -5.617 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.043 8.516 -6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.142 10.819 -7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.121 11.441 -6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.858 11.146 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.133 9.966 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.515 12.952 -8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.467 12.123 -9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.493 12.103 -10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.835 10.682 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.636 11.758 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.627 12.760 -8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.098 13.240 -9.797 1.00 0.00 H new ATOM 1511 N VAL A 96 2.174 8.998 -5.668 1.00 0.00 N ATOM 1512 CA VAL A 96 3.335 8.840 -4.803 1.00 0.00 C ATOM 1513 C VAL A 96 4.351 9.954 -5.076 1.00 0.00 C ATOM 1514 O VAL A 96 4.557 10.377 -6.221 1.00 0.00 O ATOM 1515 CB VAL A 96 3.905 7.410 -4.960 1.00 0.00 C ATOM 1516 CG1 VAL A 96 5.019 7.119 -3.954 1.00 0.00 C ATOM 1517 CG2 VAL A 96 2.835 6.333 -4.710 1.00 0.00 C ATOM 0 H VAL A 96 2.399 8.953 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 96 3.054 8.946 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 96 4.277 7.372 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.388 6.104 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.835 7.827 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.629 7.219 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.278 5.345 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.446 6.435 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.022 6.455 -5.425 1.00 0.00 H new ATOM 1527 N TYR A 97 5.013 10.412 -4.015 1.00 0.00 N ATOM 1528 CA TYR A 97 6.006 11.471 -4.015 1.00 0.00 C ATOM 1529 C TYR A 97 7.259 11.029 -3.268 1.00 0.00 C ATOM 1530 O TYR A 97 7.243 10.014 -2.581 1.00 0.00 O ATOM 1531 CB TYR A 97 5.428 12.715 -3.315 1.00 0.00 C ATOM 1532 CG TYR A 97 3.994 13.078 -3.657 1.00 0.00 C ATOM 1533 CD1 TYR A 97 2.909 12.477 -2.980 1.00 0.00 C ATOM 1534 CD2 TYR A 97 3.753 14.060 -4.628 1.00 0.00 C ATOM 1535 CE1 TYR A 97 1.589 12.841 -3.292 1.00 0.00 C ATOM 1536 CE2 TYR A 97 2.437 14.433 -4.939 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.349 13.804 -4.298 1.00 0.00 C ATOM 1538 OH TYR A 97 0.080 14.135 -4.659 1.00 0.00 O ATOM 0 H TYR A 97 4.858 10.029 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 97 6.266 11.702 -5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.494 12.562 -2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.063 13.568 -3.555 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.096 11.734 -2.219 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.581 14.530 -5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.762 12.387 -2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.256 15.205 -5.672 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.469 14.250 -3.856 1.00 0.00 H new ATOM 1548 N SER A 98 8.331 11.798 -3.390 1.00 0.00 N ATOM 1549 CA SER A 98 9.606 11.569 -2.734 1.00 0.00 C ATOM 1550 C SER A 98 9.647 12.412 -1.463 1.00 0.00 C ATOM 1551 O SER A 98 8.924 13.412 -1.365 1.00 0.00 O ATOM 1552 CB SER A 98 10.697 12.010 -3.711 1.00 0.00 C ATOM 1553 OG SER A 98 12.008 11.819 -3.232 1.00 0.00 O ATOM 0 H SER A 98 8.334 12.634 -3.974 1.00 0.00 H new ATOM 0 HA SER A 98 9.750 10.523 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.579 11.459 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.557 13.066 -3.944 1.00 0.00 H new ATOM 0 HG SER A 98 12.650 12.121 -3.908 1.00 0.00 H new ATOM 1559 N THR A 99 10.444 11.982 -0.485 1.00 0.00 N ATOM 1560 CA THR A 99 10.620 12.718 0.768 1.00 0.00 C ATOM 1561 C THR A 99 11.894 13.546 0.610 1.00 0.00 C ATOM 1562 O THR A 99 12.709 13.273 -0.273 1.00 0.00 O ATOM 1563 CB THR A 99 10.669 11.818 2.022 1.00 0.00 C ATOM 1564 OG1 THR A 99 11.710 10.866 2.060 1.00 0.00 O ATOM 1565 CG2 THR A 99 9.372 11.061 2.245 1.00 0.00 C ATOM 0 H THR A 99 10.984 11.118 -0.538 1.00 0.00 H new ATOM 0 HA THR A 99 9.750 13.352 0.940 1.00 0.00 H new ATOM 0 HB THR A 99 10.852 12.548 2.811 1.00 0.00 H new ATOM 0 HG1 THR A 99 11.534 10.163 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.460 10.444 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.554 11.770 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.169 10.425 1.383 1.00 0.00 H new ATOM 1669 N ASP A 107 14.945 5.910 0.400 1.00 0.00 N ATOM 1670 CA ASP A 107 14.349 4.859 1.230 1.00 0.00 C ATOM 1671 C ASP A 107 12.956 5.278 1.656 1.00 0.00 C ATOM 1672 O ASP A 107 12.065 4.427 1.717 1.00 0.00 O ATOM 1673 CB ASP A 107 15.175 4.481 2.466 1.00 0.00 C ATOM 1674 CG ASP A 107 16.273 3.465 2.157 1.00 0.00 C ATOM 1675 OD1 ASP A 107 15.941 2.398 1.591 1.00 0.00 O ATOM 1676 OD2 ASP A 107 17.444 3.697 2.535 1.00 0.00 O ATOM 0 HA ASP A 107 14.318 3.965 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.626 5.381 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.512 4.072 3.229 1.00 0.00 H new ATOM 1681 N GLU A 108 12.703 6.567 1.887 1.00 0.00 N ATOM 1682 CA GLU A 108 11.377 6.996 2.307 1.00 0.00 C ATOM 1683 C GLU A 108 10.720 7.786 1.183 1.00 0.00 C ATOM 1684 O GLU A 108 11.318 8.634 0.519 1.00 0.00 O ATOM 1685 CB GLU A 108 11.512 7.781 3.616 1.00 0.00 C ATOM 1686 CG GLU A 108 11.467 6.864 4.835 1.00 0.00 C ATOM 1687 CD GLU A 108 11.785 7.595 6.130 1.00 0.00 C ATOM 1688 OE1 GLU A 108 12.977 7.773 6.461 1.00 0.00 O ATOM 1689 OE2 GLU A 108 10.848 7.947 6.877 1.00 0.00 O ATOM 0 H GLU A 108 13.388 7.317 1.792 1.00 0.00 H new ATOM 0 HA GLU A 108 10.723 6.147 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.451 8.335 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.709 8.515 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.477 6.414 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.178 6.049 4.698 1.00 0.00 H new ATOM 1696 N ILE A 109 9.423 7.569 1.020 1.00 0.00 N ATOM 1697 CA ILE A 109 8.590 8.197 -0.004 1.00 0.00 C ATOM 1698 C ILE A 109 7.259 8.618 0.636 1.00 0.00 C ATOM 1699 O ILE A 109 7.070 8.447 1.835 1.00 0.00 O ATOM 1700 CB ILE A 109 8.482 7.261 -1.234 1.00 0.00 C ATOM 1701 CG1 ILE A 109 7.833 5.898 -0.948 1.00 0.00 C ATOM 1702 CG2 ILE A 109 9.842 7.031 -1.911 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.331 6.057 -0.729 1.00 0.00 C ATOM 0 H ILE A 109 8.900 6.928 1.617 1.00 0.00 H new ATOM 0 HA ILE A 109 9.032 9.114 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 109 7.817 7.801 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.015 5.220 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.290 5.449 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.715 6.369 -2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.247 7.985 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.530 6.575 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.887 5.082 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.155 6.718 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.876 6.485 -1.622 1.00 0.00 H new ATOM 1715 N ILE A 110 6.304 9.163 -0.114 1.00 0.00 N ATOM 1716 CA ILE A 110 5.019 9.601 0.415 1.00 0.00 C ATOM 1717 C ILE A 110 3.914 9.059 -0.472 1.00 0.00 C ATOM 1718 O ILE A 110 3.869 9.376 -1.657 1.00 0.00 O ATOM 1719 CB ILE A 110 4.970 11.136 0.489 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.281 11.676 1.082 1.00 0.00 C ATOM 1721 CG2 ILE A 110 3.747 11.605 1.289 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.323 13.179 1.188 1.00 0.00 C ATOM 0 H ILE A 110 6.404 9.314 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 110 4.882 9.218 1.426 1.00 0.00 H new ATOM 0 HB ILE A 110 4.867 11.537 -0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.425 11.246 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.114 11.340 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.734 12.694 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.837 11.248 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.800 11.206 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.277 13.487 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.211 13.617 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.511 13.521 1.830 1.00 0.00 H new ATOM 1734 N VAL A 111 3.038 8.244 0.090 1.00 0.00 N ATOM 1735 CA VAL A 111 1.903 7.626 -0.565 1.00 0.00 C ATOM 1736 C VAL A 111 0.645 8.388 -0.178 1.00 0.00 C ATOM 1737 O VAL A 111 0.454 8.716 0.985 1.00 0.00 O ATOM 1738 CB VAL A 111 1.769 6.187 -0.054 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.578 5.472 -0.712 1.00 0.00 C ATOM 1740 CG2 VAL A 111 3.112 5.478 -0.235 1.00 0.00 C ATOM 0 H VAL A 111 3.106 7.982 1.073 1.00 0.00 H new ATOM 0 HA VAL A 111 2.039 7.638 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 111 1.538 6.175 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.509 4.454 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.342 6.010 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.721 5.445 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.033 4.452 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.381 5.473 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.880 6.003 0.333 1.00 0.00 H new ATOM 1750 N GLU A 112 -0.228 8.676 -1.125 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.482 9.358 -0.852 1.00 0.00 C ATOM 1752 C GLU A 112 -2.589 8.304 -0.666 1.00 0.00 C ATOM 1753 O GLU A 112 -2.615 7.305 -1.394 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.788 10.239 -2.043 1.00 0.00 C ATOM 1755 CG GLU A 112 -3.166 10.934 -2.010 1.00 0.00 C ATOM 1756 CD GLU A 112 -3.676 11.329 -3.408 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -2.913 11.437 -4.397 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -4.919 11.365 -3.555 1.00 0.00 O ATOM 0 H GLU A 112 -0.088 8.444 -2.108 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.420 9.963 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.015 11.004 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.726 9.634 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.891 10.269 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.101 11.826 -1.388 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.532 8.526 0.253 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.652 7.638 0.528 1.00 0.00 C ATOM 1767 C PHE A 113 -5.825 8.455 1.088 1.00 0.00 C ATOM 1768 O PHE A 113 -5.600 9.289 1.961 1.00 0.00 O ATOM 1769 CB PHE A 113 -4.174 6.595 1.537 1.00 0.00 C ATOM 1770 CG PHE A 113 -5.073 5.386 1.638 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.366 4.630 0.494 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -5.648 5.034 2.864 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.278 3.570 0.554 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -6.609 4.018 2.925 1.00 0.00 C ATOM 1775 CZ PHE A 113 -6.927 3.291 1.768 1.00 0.00 C ATOM 0 H PHE A 113 -3.532 9.358 0.843 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.997 7.140 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.172 6.268 1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.097 7.062 2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.883 4.868 -0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.350 5.548 3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.480 2.973 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -7.104 3.795 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.675 2.513 1.811 1.00 0.00 H new ATOM 1785 N ASN A 114 -7.070 8.212 0.650 1.00 0.00 N ATOM 1786 CA ASN A 114 -8.289 8.931 1.088 1.00 0.00 C ATOM 1787 C ASN A 114 -8.122 10.463 0.970 1.00 0.00 C ATOM 1788 O ASN A 114 -8.658 11.204 1.790 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.776 8.597 2.527 1.00 0.00 C ATOM 1790 CG ASN A 114 -9.006 7.150 2.938 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -8.245 6.581 3.706 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -10.040 6.466 2.471 1.00 0.00 N ATOM 0 H ASN A 114 -7.268 7.488 -0.041 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.055 8.570 0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -8.049 9.019 3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.713 9.131 2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.180 5.496 2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.696 6.909 1.828 1.00 0.00 H new ATOM 1799 N ARG A 115 -7.406 10.966 -0.047 1.00 0.00 N ATOM 1800 CA ARG A 115 -7.154 12.400 -0.280 1.00 0.00 C ATOM 1801 C ARG A 115 -6.176 13.012 0.735 1.00 0.00 C ATOM 1802 O ARG A 115 -6.229 14.228 0.943 1.00 0.00 O ATOM 1803 CB ARG A 115 -8.460 13.238 -0.356 1.00 0.00 C ATOM 1804 CG ARG A 115 -9.583 12.680 -1.239 1.00 0.00 C ATOM 1805 CD ARG A 115 -9.087 12.479 -2.673 1.00 0.00 C ATOM 1806 NE ARG A 115 -10.169 12.168 -3.619 1.00 0.00 N ATOM 1807 CZ ARG A 115 -11.117 13.002 -4.072 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -11.157 14.278 -3.690 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -12.011 12.550 -4.940 1.00 0.00 N ATOM 0 H ARG A 115 -6.973 10.370 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.677 12.444 -1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.849 13.356 0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.205 14.234 -0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.935 11.732 -0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.432 13.364 -1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.572 13.381 -3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.356 11.671 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.202 11.211 -3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.458 14.638 -3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -11.887 14.895 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.972 11.580 -5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -12.738 13.172 -5.294 1.00 0.00 H new ATOM 1823 N GLU A 116 -5.303 12.222 1.362 1.00 0.00 N ATOM 1824 CA GLU A 116 -4.325 12.690 2.341 1.00 0.00 C ATOM 1825 C GLU A 116 -2.978 12.039 2.028 1.00 0.00 C ATOM 1826 O GLU A 116 -2.936 10.894 1.581 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.814 12.385 3.767 1.00 0.00 C ATOM 1828 CG GLU A 116 -5.962 13.323 4.138 1.00 0.00 C ATOM 1829 CD GLU A 116 -6.333 13.277 5.614 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -6.869 12.259 6.108 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -6.100 14.313 6.277 1.00 0.00 O ATOM 0 H GLU A 116 -5.257 11.216 1.198 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.203 13.772 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.145 11.348 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.994 12.503 4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.687 14.344 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.838 13.065 3.543 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.874 12.755 2.239 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.511 12.292 1.990 1.00 0.00 C ATOM 1840 C TYR A 117 0.076 11.642 3.244 1.00 0.00 C ATOM 1841 O TYR A 117 0.057 12.236 4.319 1.00 0.00 O ATOM 1842 CB TYR A 117 0.351 13.479 1.516 1.00 0.00 C ATOM 1843 CG TYR A 117 -0.164 14.205 0.278 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -0.741 13.483 -0.783 1.00 0.00 C ATOM 1845 CD2 TYR A 117 -0.134 15.609 0.209 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.307 14.134 -1.893 1.00 0.00 C ATOM 1847 CE2 TYR A 117 -0.731 16.266 -0.886 1.00 0.00 C ATOM 1848 CZ TYR A 117 -1.320 15.541 -1.943 1.00 0.00 C ATOM 1849 OH TYR A 117 -1.941 16.200 -2.964 1.00 0.00 O ATOM 0 H TYR A 117 -1.907 13.708 2.601 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.522 11.533 1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.430 14.198 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.358 13.116 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -0.749 12.404 -0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 117 0.344 16.181 0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.730 13.558 -2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -0.738 17.346 -0.916 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.849 17.167 -2.833 1.00 0.00 H new ATOM 1859 N TYR A 118 0.681 10.464 3.096 1.00 0.00 N ATOM 1860 CA TYR A 118 1.288 9.697 4.187 1.00 0.00 C ATOM 1861 C TYR A 118 2.716 9.305 3.867 1.00 0.00 C ATOM 1862 O TYR A 118 2.991 8.671 2.848 1.00 0.00 O ATOM 1863 CB TYR A 118 0.492 8.427 4.474 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.879 8.713 5.013 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -1.926 8.970 4.118 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -1.083 8.804 6.400 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -3.173 9.375 4.604 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -2.338 9.181 6.898 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.381 9.498 6.002 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.567 9.924 6.508 1.00 0.00 O ATOM 0 H TYR A 118 0.766 10.003 2.190 1.00 0.00 H new ATOM 0 HA TYR A 118 1.280 10.345 5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.403 7.844 3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.039 7.814 5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -1.770 8.856 3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.274 8.584 7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.976 9.594 3.916 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -2.506 9.229 7.964 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.518 9.942 7.487 1.00 0.00 H new ATOM 1880 N ARG A 119 3.659 9.759 4.687 1.00 0.00 N ATOM 1881 CA ARG A 119 5.057 9.440 4.506 1.00 0.00 C ATOM 1882 C ARG A 119 5.234 7.975 4.879 1.00 0.00 C ATOM 1883 O ARG A 119 4.805 7.538 5.951 1.00 0.00 O ATOM 1884 CB ARG A 119 5.938 10.402 5.304 1.00 0.00 C ATOM 1885 CG ARG A 119 7.406 10.234 4.906 1.00 0.00 C ATOM 1886 CD ARG A 119 8.197 9.344 5.865 1.00 0.00 C ATOM 1887 NE ARG A 119 8.807 10.155 6.927 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.931 10.875 6.826 1.00 0.00 C ATOM 1889 NH1 ARG A 119 10.576 10.957 5.665 1.00 0.00 N ATOM 1890 NH2 ARG A 119 10.406 11.515 7.887 1.00 0.00 N ATOM 0 H ARG A 119 3.468 10.356 5.491 1.00 0.00 H new ATOM 0 HA ARG A 119 5.376 9.571 3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.621 11.429 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.820 10.214 6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.457 9.810 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.877 11.216 4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.538 8.594 6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 119 8.972 8.807 5.318 1.00 0.00 H new ATOM 0 HE ARG A 119 8.328 10.171 7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.214 10.470 4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.432 11.507 5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 119 9.915 11.458 8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 119 11.262 12.064 7.810 1.00 0.00 H new ATOM 1904 N ALA A 120 5.830 7.221 3.965 1.00 0.00 N ATOM 1905 CA ALA A 120 6.095 5.795 4.101 1.00 0.00 C ATOM 1906 C ALA A 120 7.607 5.524 4.032 1.00 0.00 C ATOM 1907 O ALA A 120 8.353 6.344 3.492 1.00 0.00 O ATOM 1908 CB ALA A 120 5.365 5.017 3.009 1.00 0.00 C ATOM 0 H ALA A 120 6.154 7.600 3.075 1.00 0.00 H new ATOM 0 HA ALA A 120 5.727 5.462 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.571 3.953 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.292 5.190 3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.710 5.352 2.031 1.00 0.00 H new ATOM 1914 N VAL A 121 8.047 4.338 4.452 1.00 0.00 N ATOM 1915 CA VAL A 121 9.449 3.913 4.488 1.00 0.00 C ATOM 1916 C VAL A 121 9.658 2.529 3.900 1.00 0.00 C ATOM 1917 O VAL A 121 8.782 1.679 4.013 1.00 0.00 O ATOM 1918 CB VAL A 121 9.902 3.957 5.959 1.00 0.00 C ATOM 1919 CG1 VAL A 121 9.068 3.126 6.905 1.00 0.00 C ATOM 1920 CG2 VAL A 121 11.391 3.674 6.185 1.00 0.00 C ATOM 0 H VAL A 121 7.411 3.616 4.791 1.00 0.00 H new ATOM 0 HA VAL A 121 10.045 4.586 3.871 1.00 0.00 H new ATOM 0 HB VAL A 121 9.730 5.004 6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.463 3.220 7.917 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.036 3.477 6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.102 2.081 6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.614 3.727 7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.633 2.678 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.987 4.415 5.652 1.00 0.00 H new ATOM 1930 N LEU A 122 10.812 2.287 3.276 1.00 0.00 N ATOM 1931 CA LEU A 122 11.145 1.000 2.683 1.00 0.00 C ATOM 1932 C LEU A 122 11.250 -0.041 3.798 1.00 0.00 C ATOM 1933 O LEU A 122 11.954 0.194 4.780 1.00 0.00 O ATOM 1934 CB LEU A 122 12.430 1.146 1.846 1.00 0.00 C ATOM 1935 CG LEU A 122 12.721 -0.076 0.954 1.00 0.00 C ATOM 1936 CD1 LEU A 122 11.538 -0.370 0.035 1.00 0.00 C ATOM 1937 CD2 LEU A 122 13.893 0.183 0.010 1.00 0.00 C ATOM 0 H LEU A 122 11.545 2.988 3.170 1.00 0.00 H new ATOM 0 HA LEU A 122 10.368 0.657 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.347 2.033 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.275 1.307 2.516 1.00 0.00 H new ATOM 0 HG LEU A 122 12.931 -0.898 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.766 -1.237 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.653 -0.577 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.349 0.493 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.069 -0.701 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.661 1.031 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.787 0.404 0.592 1.00 0.00 H new ATOM 1949 N ILE A 123 10.539 -1.165 3.671 1.00 0.00 N ATOM 1950 CA ILE A 123 10.548 -2.211 4.697 1.00 0.00 C ATOM 1951 C ILE A 123 11.658 -3.194 4.379 1.00 0.00 C ATOM 1952 O ILE A 123 12.451 -3.553 5.241 1.00 0.00 O ATOM 1953 CB ILE A 123 9.190 -2.930 4.735 1.00 0.00 C ATOM 1954 CG1 ILE A 123 8.116 -1.950 5.224 1.00 0.00 C ATOM 1955 CG2 ILE A 123 9.216 -4.139 5.688 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.740 -2.343 4.702 1.00 0.00 C ATOM 0 H ILE A 123 9.949 -1.374 2.866 1.00 0.00 H new ATOM 0 HA ILE A 123 10.722 -1.766 5.677 1.00 0.00 H new ATOM 0 HB ILE A 123 8.969 -3.284 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.104 -1.932 6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.361 -0.941 4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.239 -4.623 5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.972 -4.849 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.455 -3.802 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.997 -1.632 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.749 -2.336 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.488 -3.342 5.057 1.00 0.00 H new