USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=21 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 95 LYS NZ :NH3+ 167:sc= 0.696 (180deg=0) USER MOD Set 1.2: A 97 TYR OH : rot 84:sc= 1.15 USER MOD Set 1.3: A 117 TYR OH : rot 180:sc= 0.161 USER MOD Set 2.1: A 18 MET CE :methyl 170:sc= -1.93 (180deg=-2.08) USER MOD Set 2.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 70:sc= -0.775 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 20 SER OG : rot 180:sc= -0.155 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 1.04 (180deg=1.03) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= 0.939 (180deg=0.465) USER MOD Single : A 29 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.28) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0207 X(o=-0.021,f=0.18) USER MOD Single : A 37 TYR OH : rot 147:sc= 0.308 USER MOD Single : A 38 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.64) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -133:sc= 0.307 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= -0.0571 (180deg=-0.308) USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= 0.683 (180deg=-0.118) 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 180:sc= 0.00678 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -85:sc= 0.346 USER MOD Single : A 114 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.36) USER MOD Single : A 118 TYR OH : rot -106:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.352 -7.812 -2.211 1.00 0.00 N ATOM 181 CA THR A 14 8.150 -8.257 -1.512 1.00 0.00 C ATOM 182 C THR A 14 7.384 -9.371 -2.221 1.00 0.00 C ATOM 183 O THR A 14 6.794 -10.227 -1.568 1.00 0.00 O ATOM 184 CB THR A 14 7.306 -7.019 -1.234 1.00 0.00 C ATOM 185 OG1 THR A 14 6.449 -7.341 -0.192 1.00 0.00 O ATOM 186 CG2 THR A 14 6.583 -6.421 -2.443 1.00 0.00 C ATOM 0 HA THR A 14 8.436 -8.734 -0.575 1.00 0.00 H new ATOM 0 HB THR A 14 7.975 -6.204 -0.958 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.963 -7.434 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.014 -5.546 -2.130 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.315 -6.128 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.905 -7.163 -2.865 1.00 0.00 H new ATOM 194 N SER A 15 7.414 -9.353 -3.542 1.00 0.00 N ATOM 195 CA SER A 15 6.774 -10.299 -4.440 1.00 0.00 C ATOM 196 C SER A 15 5.276 -10.411 -4.143 1.00 0.00 C ATOM 197 O SER A 15 4.717 -11.496 -3.967 1.00 0.00 O ATOM 198 CB SER A 15 7.524 -11.632 -4.388 1.00 0.00 C ATOM 199 OG SER A 15 8.923 -11.459 -4.557 1.00 0.00 O ATOM 0 H SER A 15 7.920 -8.628 -4.050 1.00 0.00 H new ATOM 0 HA SER A 15 6.832 -9.943 -5.468 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.331 -12.120 -3.433 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.143 -12.293 -5.166 1.00 0.00 H new ATOM 0 HG SER A 15 9.368 -12.331 -4.516 1.00 0.00 H new ATOM 205 N GLU A 16 4.630 -9.256 -3.997 1.00 0.00 N ATOM 206 CA GLU A 16 3.212 -9.138 -3.730 1.00 0.00 C ATOM 207 C GLU A 16 2.689 -7.909 -4.467 1.00 0.00 C ATOM 208 O GLU A 16 3.468 -7.166 -5.070 1.00 0.00 O ATOM 209 CB GLU A 16 2.909 -9.247 -2.227 1.00 0.00 C ATOM 210 CG GLU A 16 3.221 -8.097 -1.271 1.00 0.00 C ATOM 211 CD GLU A 16 3.106 -8.572 0.198 1.00 0.00 C ATOM 212 OE1 GLU A 16 2.190 -9.354 0.541 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.931 -8.168 1.051 1.00 0.00 O ATOM 0 H GLU A 16 5.100 -8.353 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 16 2.646 -9.979 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.844 -9.460 -2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.444 -10.122 -1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.226 -7.720 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.532 -7.271 -1.448 1.00 0.00 H new ATOM 220 N THR A 17 1.379 -7.717 -4.483 1.00 0.00 N ATOM 221 CA THR A 17 0.732 -6.604 -5.159 1.00 0.00 C ATOM 222 C THR A 17 -0.138 -5.877 -4.138 1.00 0.00 C ATOM 223 O THR A 17 -0.314 -6.358 -3.011 1.00 0.00 O ATOM 224 CB THR A 17 -0.007 -7.150 -6.398 1.00 0.00 C ATOM 225 OG1 THR A 17 -0.614 -6.124 -7.144 1.00 0.00 O ATOM 226 CG2 THR A 17 -1.102 -8.153 -6.045 1.00 0.00 C ATOM 0 H THR A 17 0.723 -8.344 -4.017 1.00 0.00 H new ATOM 0 HA THR A 17 1.431 -5.860 -5.542 1.00 0.00 H new ATOM 0 HB THR A 17 0.769 -7.644 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.070 -6.510 -7.921 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.585 -8.501 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.663 -9.002 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.841 -7.674 -5.403 1.00 0.00 H new ATOM 234 N MET A 18 -0.683 -4.713 -4.505 1.00 0.00 N ATOM 235 CA MET A 18 -1.515 -3.956 -3.585 1.00 0.00 C ATOM 236 C MET A 18 -2.710 -4.786 -3.104 1.00 0.00 C ATOM 237 O MET A 18 -3.142 -4.657 -1.959 1.00 0.00 O ATOM 238 CB MET A 18 -2.037 -2.687 -4.272 1.00 0.00 C ATOM 239 CG MET A 18 -0.996 -1.571 -4.239 1.00 0.00 C ATOM 240 SD MET A 18 -1.213 -0.331 -2.925 1.00 0.00 S ATOM 241 CE MET A 18 -1.813 -1.300 -1.512 1.00 0.00 C ATOM 0 H MET A 18 -0.561 -4.284 -5.423 1.00 0.00 H new ATOM 0 HA MET A 18 -0.901 -3.692 -2.724 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.299 -2.912 -5.306 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.949 -2.352 -3.777 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.010 -2.022 -4.129 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.007 -1.060 -5.202 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.807 -0.679 -0.616 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.829 -1.642 -1.710 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.163 -2.162 -1.360 1.00 0.00 H new ATOM 251 N GLU A 19 -3.239 -5.631 -3.988 1.00 0.00 N ATOM 252 CA GLU A 19 -4.376 -6.495 -3.717 1.00 0.00 C ATOM 253 C GLU A 19 -4.043 -7.498 -2.612 1.00 0.00 C ATOM 254 O GLU A 19 -4.838 -7.629 -1.681 1.00 0.00 O ATOM 255 CB GLU A 19 -4.828 -7.189 -5.012 1.00 0.00 C ATOM 256 CG GLU A 19 -5.202 -6.153 -6.081 1.00 0.00 C ATOM 257 CD GLU A 19 -5.879 -6.783 -7.296 1.00 0.00 C ATOM 258 OE1 GLU A 19 -7.023 -7.268 -7.146 1.00 0.00 O ATOM 259 OE2 GLU A 19 -5.286 -6.732 -8.399 1.00 0.00 O ATOM 0 H GLU A 19 -2.876 -5.733 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.208 -5.890 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.030 -7.831 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.684 -7.832 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.868 -5.409 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.303 -5.627 -6.402 1.00 0.00 H new ATOM 266 N SER A 20 -2.872 -8.147 -2.661 1.00 0.00 N ATOM 267 CA SER A 20 -2.434 -9.126 -1.671 1.00 0.00 C ATOM 268 C SER A 20 -2.403 -8.500 -0.285 1.00 0.00 C ATOM 269 O SER A 20 -2.757 -9.142 0.706 1.00 0.00 O ATOM 270 CB SER A 20 -1.018 -9.611 -2.011 1.00 0.00 C ATOM 271 OG SER A 20 -0.926 -10.065 -3.346 1.00 0.00 O ATOM 0 H SER A 20 -2.193 -7.999 -3.407 1.00 0.00 H new ATOM 0 HA SER A 20 -3.134 -9.961 -1.683 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.308 -8.799 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.737 -10.417 -1.333 1.00 0.00 H new ATOM 0 HG SER A 20 -0.011 -10.364 -3.527 1.00 0.00 H new ATOM 277 N LEU A 21 -1.991 -7.231 -0.220 1.00 0.00 N ATOM 278 CA LEU A 21 -1.911 -6.548 1.047 1.00 0.00 C ATOM 279 C LEU A 21 -3.292 -6.411 1.656 1.00 0.00 C ATOM 280 O LEU A 21 -3.530 -6.875 2.766 1.00 0.00 O ATOM 281 CB LEU A 21 -1.335 -5.134 0.882 1.00 0.00 C ATOM 282 CG LEU A 21 0.048 -5.005 0.241 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.590 -3.642 0.647 1.00 0.00 C ATOM 284 CD2 LEU A 21 1.034 -6.100 0.631 1.00 0.00 C ATOM 0 H LEU A 21 -1.713 -6.672 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.260 -7.140 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.038 -4.552 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.293 -4.671 1.868 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.065 -5.111 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.580 -3.500 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.080 -2.862 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.659 -3.587 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.986 -5.927 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.184 -6.087 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.637 -7.070 0.332 1.00 0.00 H new ATOM 296 N ILE A 22 -4.228 -5.826 0.922 1.00 0.00 N ATOM 297 CA ILE A 22 -5.577 -5.608 1.409 1.00 0.00 C ATOM 298 C ILE A 22 -6.241 -6.938 1.758 1.00 0.00 C ATOM 299 O ILE A 22 -6.888 -7.028 2.802 1.00 0.00 O ATOM 300 CB ILE A 22 -6.371 -4.838 0.341 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.756 -3.443 0.104 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.831 -4.719 0.788 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.307 -2.804 -1.166 1.00 0.00 C ATOM 0 H ILE A 22 -4.070 -5.490 -0.028 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.553 -5.015 2.323 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.328 -5.383 -0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.967 -2.800 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.672 -3.529 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.399 -4.174 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.256 -5.715 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.879 -4.183 1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.854 -1.822 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.073 -3.436 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.388 -2.696 -1.079 1.00 0.00 H new ATOM 315 N ASP A 23 -6.078 -7.942 0.895 1.00 0.00 N ATOM 316 CA ASP A 23 -6.638 -9.284 1.041 1.00 0.00 C ATOM 317 C ASP A 23 -6.261 -9.914 2.385 1.00 0.00 C ATOM 318 O ASP A 23 -7.057 -10.663 2.945 1.00 0.00 O ATOM 319 CB ASP A 23 -6.193 -10.144 -0.150 1.00 0.00 C ATOM 320 CG ASP A 23 -6.839 -11.529 -0.166 1.00 0.00 C ATOM 321 OD1 ASP A 23 -7.967 -11.651 -0.692 1.00 0.00 O ATOM 322 OD2 ASP A 23 -6.178 -12.510 0.248 1.00 0.00 O ATOM 0 H ASP A 23 -5.530 -7.837 0.041 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.726 -9.221 1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.438 -9.625 -1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.109 -10.256 -0.124 1.00 0.00 H new ATOM 327 N LYS A 24 -5.080 -9.576 2.933 1.00 0.00 N ATOM 328 CA LYS A 24 -4.648 -10.106 4.235 1.00 0.00 C ATOM 329 C LYS A 24 -4.883 -9.087 5.351 1.00 0.00 C ATOM 330 O LYS A 24 -4.841 -9.451 6.527 1.00 0.00 O ATOM 331 CB LYS A 24 -3.144 -10.490 4.160 1.00 0.00 C ATOM 332 CG LYS A 24 -2.136 -9.478 4.748 1.00 0.00 C ATOM 333 CD LYS A 24 -1.846 -9.692 6.258 1.00 0.00 C ATOM 334 CE LYS A 24 -2.056 -8.418 7.101 1.00 0.00 C ATOM 335 NZ LYS A 24 -2.918 -8.597 8.286 1.00 0.00 N ATOM 0 H LYS A 24 -4.412 -8.941 2.496 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.239 -10.992 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.010 -11.441 4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.888 -10.656 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.200 -9.547 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.520 -8.469 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.493 -10.482 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.819 -10.036 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.083 -8.051 7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.491 -7.646 6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.032 -7.685 8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.850 -8.949 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.480 -9.283 8.933 1.00 0.00 H new ATOM 349 N GLY A 25 -5.167 -7.831 5.019 1.00 0.00 N ATOM 350 CA GLY A 25 -5.388 -6.756 5.972 1.00 0.00 C ATOM 351 C GLY A 25 -4.126 -5.947 6.237 1.00 0.00 C ATOM 352 O GLY A 25 -3.836 -5.604 7.378 1.00 0.00 O ATOM 0 H GLY A 25 -5.252 -7.527 4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.168 -6.094 5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.752 -7.175 6.910 1.00 0.00 H new ATOM 356 N LYS A 26 -3.319 -5.692 5.204 1.00 0.00 N ATOM 357 CA LYS A 26 -2.091 -4.909 5.305 1.00 0.00 C ATOM 358 C LYS A 26 -2.452 -3.484 4.883 1.00 0.00 C ATOM 359 O LYS A 26 -2.125 -3.050 3.777 1.00 0.00 O ATOM 360 CB LYS A 26 -0.930 -5.497 4.466 1.00 0.00 C ATOM 361 CG LYS A 26 -0.027 -6.471 5.225 1.00 0.00 C ATOM 362 CD LYS A 26 1.301 -6.789 4.511 1.00 0.00 C ATOM 363 CE LYS A 26 1.281 -8.141 3.778 1.00 0.00 C ATOM 364 NZ LYS A 26 2.636 -8.626 3.435 1.00 0.00 N ATOM 0 H LYS A 26 -3.506 -6.030 4.260 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.714 -4.927 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.348 -6.009 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.321 -4.676 4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.193 -6.054 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.571 -7.401 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.521 -5.997 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.109 -6.791 5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.782 -8.881 4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.692 -8.046 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.587 -9.629 3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.013 -8.070 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.261 -8.520 4.259 1.00 0.00 H new ATOM 378 N LEU A 27 -3.178 -2.760 5.733 1.00 0.00 N ATOM 379 CA LEU A 27 -3.581 -1.375 5.466 1.00 0.00 C ATOM 380 C LEU A 27 -2.547 -0.382 5.999 1.00 0.00 C ATOM 381 O LEU A 27 -2.722 0.822 5.840 1.00 0.00 O ATOM 382 CB LEU A 27 -4.978 -1.061 6.037 1.00 0.00 C ATOM 383 CG LEU A 27 -6.167 -1.832 5.432 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.097 -1.935 3.905 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.282 -3.248 5.991 1.00 0.00 C ATOM 0 H LEU A 27 -3.506 -3.116 6.631 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.635 -1.265 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.958 -1.255 7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.165 0.005 5.910 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.043 -1.248 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.961 -2.489 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.096 -0.934 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.184 -2.455 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.134 -3.751 5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.371 -3.803 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.423 -3.203 7.071 1.00 0.00 H new ATOM 397 N ASP A 28 -1.470 -0.854 6.630 1.00 0.00 N ATOM 398 CA ASP A 28 -0.411 0.005 7.177 1.00 0.00 C ATOM 399 C ASP A 28 0.782 0.055 6.222 1.00 0.00 C ATOM 400 O ASP A 28 1.848 0.560 6.566 1.00 0.00 O ATOM 401 CB ASP A 28 0.055 -0.451 8.572 1.00 0.00 C ATOM 402 CG ASP A 28 -1.052 -0.493 9.621 1.00 0.00 C ATOM 403 OD1 ASP A 28 -1.817 0.498 9.723 1.00 0.00 O ATOM 404 OD2 ASP A 28 -1.140 -1.503 10.355 1.00 0.00 O ATOM 0 H ASP A 28 -1.304 -1.850 6.778 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.837 1.003 7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.498 -1.444 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.841 0.220 8.917 1.00 0.00 H new ATOM 409 N GLN A 29 0.667 -0.506 5.018 1.00 0.00 N ATOM 410 CA GLN A 29 1.734 -0.545 4.026 1.00 0.00 C ATOM 411 C GLN A 29 1.146 -0.653 2.619 1.00 0.00 C ATOM 412 O GLN A 29 0.005 -1.085 2.462 1.00 0.00 O ATOM 413 CB GLN A 29 2.684 -1.703 4.365 1.00 0.00 C ATOM 414 CG GLN A 29 2.046 -3.082 4.598 1.00 0.00 C ATOM 415 CD GLN A 29 2.830 -3.887 5.629 1.00 0.00 C ATOM 416 OE1 GLN A 29 2.262 -4.473 6.545 1.00 0.00 O ATOM 417 NE2 GLN A 29 4.139 -3.950 5.497 1.00 0.00 N ATOM 0 H GLN A 29 -0.192 -0.956 4.701 1.00 0.00 H new ATOM 0 HA GLN A 29 2.311 0.379 4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.407 -1.797 3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.243 -1.432 5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.017 -2.957 4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.007 -3.631 3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.599 -3.458 4.731 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.693 -4.491 6.161 1.00 0.00 H new ATOM 426 N VAL A 30 1.921 -0.312 1.587 1.00 0.00 N ATOM 427 CA VAL A 30 1.469 -0.357 0.185 1.00 0.00 C ATOM 428 C VAL A 30 2.545 -0.871 -0.777 1.00 0.00 C ATOM 429 O VAL A 30 3.725 -0.864 -0.409 1.00 0.00 O ATOM 430 CB VAL A 30 1.005 1.041 -0.255 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.179 1.563 0.558 1.00 0.00 C ATOM 432 CG2 VAL A 30 2.109 2.087 -0.182 1.00 0.00 C ATOM 0 H VAL A 30 2.884 0.005 1.695 1.00 0.00 H new ATOM 0 HA VAL A 30 0.641 -1.065 0.141 1.00 0.00 H new ATOM 0 HB VAL A 30 0.703 0.898 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.459 2.553 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.025 0.884 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.101 1.624 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.718 3.052 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.468 2.166 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.933 1.793 -0.833 1.00 0.00 H new ATOM 442 N VAL A 31 2.159 -1.289 -1.995 1.00 0.00 N ATOM 443 CA VAL A 31 3.074 -1.767 -3.024 1.00 0.00 C ATOM 444 C VAL A 31 3.033 -0.827 -4.229 1.00 0.00 C ATOM 445 O VAL A 31 1.959 -0.405 -4.670 1.00 0.00 O ATOM 446 CB VAL A 31 2.859 -3.221 -3.493 1.00 0.00 C ATOM 447 CG1 VAL A 31 4.160 -3.876 -3.890 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.265 -4.174 -2.454 1.00 0.00 C ATOM 0 H VAL A 31 1.182 -1.301 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 31 4.054 -1.767 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 31 2.158 -3.090 -4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.968 -4.899 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.615 -3.316 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.837 -3.887 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.157 -5.167 -2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.926 -4.228 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.287 -3.807 -2.141 1.00 0.00 H new ATOM 458 N TYR A 32 4.208 -0.543 -4.776 1.00 0.00 N ATOM 459 CA TYR A 32 4.454 0.303 -5.926 1.00 0.00 C ATOM 460 C TYR A 32 5.806 -0.125 -6.435 1.00 0.00 C ATOM 461 O TYR A 32 6.723 -0.288 -5.631 1.00 0.00 O ATOM 462 CB TYR A 32 4.539 1.785 -5.518 1.00 0.00 C ATOM 463 CG TYR A 32 5.248 2.736 -6.484 1.00 0.00 C ATOM 464 CD1 TYR A 32 4.970 2.739 -7.866 1.00 0.00 C ATOM 465 CD2 TYR A 32 6.233 3.614 -5.991 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.694 3.571 -8.737 1.00 0.00 C ATOM 467 CE2 TYR A 32 6.965 4.449 -6.849 1.00 0.00 C ATOM 468 CZ TYR A 32 6.720 4.401 -8.235 1.00 0.00 C ATOM 469 OH TYR A 32 7.507 5.125 -9.070 1.00 0.00 O ATOM 0 H TYR A 32 5.073 -0.928 -4.397 1.00 0.00 H new ATOM 0 HA TYR A 32 3.655 0.206 -6.662 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.524 2.152 -5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.046 1.842 -4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.195 2.097 -8.258 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.429 3.645 -4.929 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.465 3.576 -9.792 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.709 5.122 -6.450 1.00 0.00 H new ATOM 0 HH TYR A 32 8.157 5.637 -8.545 1.00 0.00 H new ATOM 479 N ASP A 33 5.928 -0.291 -7.749 1.00 0.00 N ATOM 480 CA ASP A 33 7.171 -0.664 -8.414 1.00 0.00 C ATOM 481 C ASP A 33 7.787 -1.930 -7.809 1.00 0.00 C ATOM 482 O ASP A 33 9.003 -2.077 -7.829 1.00 0.00 O ATOM 483 CB ASP A 33 8.080 0.576 -8.288 1.00 0.00 C ATOM 484 CG ASP A 33 9.223 0.661 -9.278 1.00 0.00 C ATOM 485 OD1 ASP A 33 8.959 1.119 -10.419 1.00 0.00 O ATOM 486 OD2 ASP A 33 10.396 0.550 -8.857 1.00 0.00 O ATOM 0 H ASP A 33 5.148 -0.167 -8.394 1.00 0.00 H new ATOM 0 HA ASP A 33 7.015 -0.926 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.463 1.468 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.495 0.597 -7.280 1.00 0.00 H new ATOM 491 N ASP A 34 6.941 -2.871 -7.352 1.00 0.00 N ATOM 492 CA ASP A 34 7.314 -4.151 -6.715 1.00 0.00 C ATOM 493 C ASP A 34 8.047 -3.929 -5.390 1.00 0.00 C ATOM 494 O ASP A 34 8.919 -4.701 -4.980 1.00 0.00 O ATOM 495 CB ASP A 34 8.194 -4.991 -7.643 1.00 0.00 C ATOM 496 CG ASP A 34 8.252 -6.453 -7.200 1.00 0.00 C ATOM 497 OD1 ASP A 34 7.265 -6.977 -6.640 1.00 0.00 O ATOM 498 OD2 ASP A 34 9.252 -7.136 -7.526 1.00 0.00 O ATOM 0 H ASP A 34 5.930 -2.756 -7.419 1.00 0.00 H new ATOM 0 HA ASP A 34 6.386 -4.686 -6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.807 -4.935 -8.660 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.202 -4.577 -7.662 1.00 0.00 H new ATOM 503 N GLN A 35 7.732 -2.824 -4.725 1.00 0.00 N ATOM 504 CA GLN A 35 8.376 -2.452 -3.478 1.00 0.00 C ATOM 505 C GLN A 35 7.317 -2.265 -2.442 1.00 0.00 C ATOM 506 O GLN A 35 6.206 -1.856 -2.754 1.00 0.00 O ATOM 507 CB GLN A 35 9.190 -1.166 -3.589 1.00 0.00 C ATOM 508 CG GLN A 35 10.197 -1.081 -4.731 1.00 0.00 C ATOM 509 CD GLN A 35 11.087 -2.292 -4.959 1.00 0.00 C ATOM 510 OE1 GLN A 35 11.382 -2.671 -6.086 1.00 0.00 O ATOM 511 NE2 GLN A 35 11.625 -2.858 -3.900 1.00 0.00 N ATOM 0 H GLN A 35 7.022 -2.162 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 35 9.070 -3.249 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.495 -0.332 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.728 -1.023 -2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.648 -0.886 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.839 -0.218 -4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.373 -2.535 -2.966 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.294 -3.619 -4.013 1.00 0.00 H new ATOM 520 N LEU A 36 7.678 -2.572 -1.208 1.00 0.00 N ATOM 521 CA LEU A 36 6.773 -2.491 -0.077 1.00 0.00 C ATOM 522 C LEU A 36 7.287 -1.495 0.918 1.00 0.00 C ATOM 523 O LEU A 36 8.415 -1.645 1.401 1.00 0.00 O ATOM 524 CB LEU A 36 6.625 -3.873 0.549 1.00 0.00 C ATOM 525 CG LEU A 36 5.533 -4.007 1.619 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.202 -3.351 1.276 1.00 0.00 C ATOM 527 CD2 LEU A 36 5.302 -5.488 1.806 1.00 0.00 C ATOM 0 H LEU A 36 8.616 -2.887 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 36 5.791 -2.155 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.420 -4.591 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.580 -4.154 0.994 1.00 0.00 H new ATOM 0 HG LEU A 36 5.885 -3.490 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.500 -3.503 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.352 -2.283 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.800 -3.797 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.531 -5.644 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.981 -5.928 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.228 -5.963 2.131 1.00 0.00 H new ATOM 539 N TYR A 37 6.451 -0.505 1.208 1.00 0.00 N ATOM 540 CA TYR A 37 6.789 0.539 2.143 1.00 0.00 C ATOM 541 C TYR A 37 5.768 0.547 3.269 1.00 0.00 C ATOM 542 O TYR A 37 4.575 0.358 3.018 1.00 0.00 O ATOM 543 CB TYR A 37 6.814 1.912 1.469 1.00 0.00 C ATOM 544 CG TYR A 37 7.269 1.991 0.033 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.495 1.437 -0.374 1.00 0.00 C ATOM 546 CD2 TYR A 37 6.473 2.692 -0.887 1.00 0.00 C ATOM 547 CE1 TYR A 37 8.940 1.607 -1.694 1.00 0.00 C ATOM 548 CE2 TYR A 37 6.901 2.833 -2.216 1.00 0.00 C ATOM 549 CZ TYR A 37 8.152 2.321 -2.621 1.00 0.00 C ATOM 550 OH TYR A 37 8.607 2.552 -3.881 1.00 0.00 O ATOM 0 H TYR A 37 5.522 -0.411 0.797 1.00 0.00 H new ATOM 0 HA TYR A 37 7.787 0.339 2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.808 2.328 1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.460 2.562 2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.095 0.880 0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.533 3.122 -0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.888 1.190 -2.001 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.269 3.336 -2.933 1.00 0.00 H new ATOM 0 HH TYR A 37 7.852 2.554 -4.506 1.00 0.00 H new ATOM 560 N HIS A 38 6.241 0.759 4.491 1.00 0.00 N ATOM 561 CA HIS A 38 5.476 0.809 5.716 1.00 0.00 C ATOM 562 C HIS A 38 5.088 2.240 6.008 1.00 0.00 C ATOM 563 O HIS A 38 5.968 3.093 6.020 1.00 0.00 O ATOM 564 CB HIS A 38 6.357 0.325 6.878 1.00 0.00 C ATOM 565 CG HIS A 38 5.795 -0.840 7.651 1.00 0.00 C ATOM 566 ND1 HIS A 38 6.521 -1.674 8.467 1.00 0.00 N ATOM 567 CD2 HIS A 38 4.481 -1.214 7.737 1.00 0.00 C ATOM 568 CE1 HIS A 38 5.669 -2.558 9.010 1.00 0.00 C ATOM 569 NE2 HIS A 38 4.417 -2.331 8.576 1.00 0.00 N ATOM 0 H HIS A 38 7.236 0.910 4.656 1.00 0.00 H new ATOM 0 HA HIS A 38 4.590 0.183 5.609 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.334 0.045 6.483 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.518 1.156 7.565 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.647 -0.734 7.247 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.950 -3.341 9.699 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.583 -2.869 8.813 1.00 0.00 H new ATOM 577 N LEU A 39 3.806 2.519 6.196 1.00 0.00 N ATOM 578 CA LEU A 39 3.338 3.862 6.525 1.00 0.00 C ATOM 579 C LEU A 39 3.854 4.172 7.931 1.00 0.00 C ATOM 580 O LEU A 39 3.836 3.292 8.795 1.00 0.00 O ATOM 581 CB LEU A 39 1.802 3.920 6.475 1.00 0.00 C ATOM 582 CG LEU A 39 1.226 3.463 5.124 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.289 3.598 5.102 1.00 0.00 C ATOM 584 CD2 LEU A 39 1.692 4.336 3.964 1.00 0.00 C ATOM 0 H LEU A 39 3.062 1.825 6.126 1.00 0.00 H new ATOM 0 HA LEU A 39 3.707 4.597 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.394 3.293 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.476 4.940 6.676 1.00 0.00 H new ATOM 0 HG LEU A 39 1.565 2.433 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.670 3.268 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.721 2.983 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.564 4.640 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.256 3.969 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.374 5.365 4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.779 4.299 3.894 1.00 0.00 H new ATOM 596 N LYS A 40 4.286 5.409 8.175 1.00 0.00 N ATOM 597 CA LYS A 40 4.821 5.837 9.471 1.00 0.00 C ATOM 598 C LYS A 40 4.008 6.981 10.027 1.00 0.00 C ATOM 599 O LYS A 40 3.509 6.906 11.151 1.00 0.00 O ATOM 600 CB LYS A 40 6.296 6.255 9.323 1.00 0.00 C ATOM 601 CG LYS A 40 7.189 5.191 8.678 1.00 0.00 C ATOM 602 CD LYS A 40 7.272 3.896 9.497 1.00 0.00 C ATOM 603 CE LYS A 40 8.149 4.117 10.725 1.00 0.00 C ATOM 604 NZ LYS A 40 8.366 2.871 11.483 1.00 0.00 N ATOM 0 H LYS A 40 4.275 6.150 7.474 1.00 0.00 H new ATOM 0 HA LYS A 40 4.759 5.000 10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.346 7.165 8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.694 6.498 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.808 4.961 7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.192 5.597 8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.274 3.584 9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.683 3.093 8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.111 4.524 10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.683 4.859 11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.967 3.067 12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.450 2.495 11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.834 2.171 10.873 1.00 0.00 H new ATOM 618 N GLU A 41 3.900 8.050 9.245 1.00 0.00 N ATOM 619 CA GLU A 41 3.143 9.233 9.665 1.00 0.00 C ATOM 620 C GLU A 41 2.419 9.917 8.511 1.00 0.00 C ATOM 621 O GLU A 41 2.641 9.595 7.347 1.00 0.00 O ATOM 622 CB GLU A 41 4.077 10.233 10.383 1.00 0.00 C ATOM 623 CG GLU A 41 4.994 10.987 9.400 1.00 0.00 C ATOM 624 CD GLU A 41 6.146 11.761 10.050 1.00 0.00 C ATOM 625 OE1 GLU A 41 6.728 11.276 11.049 1.00 0.00 O ATOM 626 OE2 GLU A 41 6.517 12.834 9.509 1.00 0.00 O ATOM 0 H GLU A 41 4.324 8.126 8.320 1.00 0.00 H new ATOM 0 HA GLU A 41 2.373 8.889 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.476 10.952 10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.689 9.698 11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.412 10.270 8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.387 11.685 8.824 1.00 0.00 H new ATOM 633 N LYS A 42 1.529 10.848 8.852 1.00 0.00 N ATOM 634 CA LYS A 42 0.770 11.661 7.901 1.00 0.00 C ATOM 635 C LYS A 42 1.630 12.912 7.735 1.00 0.00 C ATOM 636 O LYS A 42 2.195 13.400 8.722 1.00 0.00 O ATOM 637 CB LYS A 42 -0.669 11.974 8.388 1.00 0.00 C ATOM 638 CG LYS A 42 -1.661 12.303 7.254 1.00 0.00 C ATOM 639 CD LYS A 42 -1.500 13.691 6.628 1.00 0.00 C ATOM 640 CE LYS A 42 -2.563 14.723 6.968 1.00 0.00 C ATOM 641 NZ LYS A 42 -2.330 15.938 6.148 1.00 0.00 N ATOM 0 H LYS A 42 1.310 11.064 9.824 1.00 0.00 H new ATOM 0 HA LYS A 42 0.600 11.146 6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.045 11.118 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.632 12.816 9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.553 11.554 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.675 12.213 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.531 14.089 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.474 13.574 5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.557 14.320 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.523 14.970 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.382 16.781 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.389 15.885 5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.055 16.000 5.405 1.00 0.00 H new ATOM 655 N VAL A 43 1.784 13.400 6.513 1.00 0.00 N ATOM 656 CA VAL A 43 2.561 14.582 6.185 1.00 0.00 C ATOM 657 C VAL A 43 1.694 15.550 5.374 1.00 0.00 C ATOM 658 O VAL A 43 0.523 15.281 5.096 1.00 0.00 O ATOM 659 CB VAL A 43 3.842 14.162 5.443 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.717 13.224 6.286 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.560 13.493 4.099 1.00 0.00 C ATOM 0 H VAL A 43 1.355 12.967 5.695 1.00 0.00 H new ATOM 0 HA VAL A 43 2.870 15.106 7.089 1.00 0.00 H new ATOM 0 HB VAL A 43 4.378 15.093 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.610 12.954 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.009 13.729 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.155 12.322 6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.502 13.220 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.960 12.597 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.016 14.184 3.455 1.00 0.00 H new ATOM 671 N ASP A 44 2.232 16.716 5.041 1.00 0.00 N ATOM 672 CA ASP A 44 1.520 17.700 4.243 1.00 0.00 C ATOM 673 C ASP A 44 2.051 17.644 2.811 1.00 0.00 C ATOM 674 O ASP A 44 3.069 17.004 2.523 1.00 0.00 O ATOM 675 CB ASP A 44 1.666 19.106 4.835 1.00 0.00 C ATOM 676 CG ASP A 44 0.586 19.993 4.233 1.00 0.00 C ATOM 677 OD1 ASP A 44 -0.607 19.786 4.557 1.00 0.00 O ATOM 678 OD2 ASP A 44 0.905 20.780 3.317 1.00 0.00 O ATOM 0 H ASP A 44 3.171 17.004 5.316 1.00 0.00 H new ATOM 0 HA ASP A 44 0.455 17.467 4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.569 19.073 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.655 19.509 4.616 1.00 0.00 H new ATOM 683 N GLU A 45 1.352 18.286 1.885 1.00 0.00 N ATOM 684 CA GLU A 45 1.756 18.349 0.493 1.00 0.00 C ATOM 685 C GLU A 45 2.965 19.265 0.348 1.00 0.00 C ATOM 686 O GLU A 45 3.587 19.279 -0.705 1.00 0.00 O ATOM 687 CB GLU A 45 0.600 18.772 -0.416 1.00 0.00 C ATOM 688 CG GLU A 45 0.217 20.256 -0.331 1.00 0.00 C ATOM 689 CD GLU A 45 -0.567 20.657 -1.577 1.00 0.00 C ATOM 690 OE1 GLU A 45 0.017 20.580 -2.687 1.00 0.00 O ATOM 691 OE2 GLU A 45 -1.756 21.026 -1.453 1.00 0.00 O ATOM 0 H GLU A 45 0.482 18.781 2.083 1.00 0.00 H new ATOM 0 HA GLU A 45 2.044 17.349 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.865 18.539 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.275 18.172 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.383 20.436 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.114 20.869 -0.241 1.00 0.00 H new ATOM 698 N ASP A 46 3.333 20.011 1.388 1.00 0.00 N ATOM 699 CA ASP A 46 4.477 20.905 1.346 1.00 0.00 C ATOM 700 C ASP A 46 5.747 20.169 1.777 1.00 0.00 C ATOM 701 O ASP A 46 6.821 20.762 1.868 1.00 0.00 O ATOM 702 CB ASP A 46 4.196 22.141 2.206 1.00 0.00 C ATOM 703 CG ASP A 46 5.072 23.307 1.760 1.00 0.00 C ATOM 704 OD1 ASP A 46 5.067 23.604 0.541 1.00 0.00 O ATOM 705 OD2 ASP A 46 5.685 23.955 2.639 1.00 0.00 O ATOM 0 H ASP A 46 2.842 20.009 2.282 1.00 0.00 H new ATOM 0 HA ASP A 46 4.642 21.245 0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.144 22.416 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.388 21.914 3.255 1.00 0.00 H new ATOM 710 N LYS A 47 5.643 18.865 2.073 1.00 0.00 N ATOM 711 CA LYS A 47 6.763 18.026 2.502 1.00 0.00 C ATOM 712 C LYS A 47 7.318 17.171 1.362 1.00 0.00 C ATOM 713 O LYS A 47 8.465 16.736 1.422 1.00 0.00 O ATOM 714 CB LYS A 47 6.289 17.084 3.625 1.00 0.00 C ATOM 715 CG LYS A 47 5.473 17.745 4.747 1.00 0.00 C ATOM 716 CD LYS A 47 6.083 19.033 5.303 1.00 0.00 C ATOM 717 CE LYS A 47 5.773 19.243 6.789 1.00 0.00 C ATOM 718 NZ LYS A 47 6.397 18.222 7.660 1.00 0.00 N ATOM 0 H LYS A 47 4.760 18.358 2.019 1.00 0.00 H new ATOM 0 HA LYS A 47 7.554 18.692 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.686 16.292 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.164 16.608 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.474 17.964 4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.357 17.032 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.164 19.008 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.706 19.883 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.120 20.231 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.693 19.226 6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.464 18.588 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.816 17.359 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.350 18.000 7.307 1.00 0.00 H new ATOM 732 N LYS A 48 6.492 16.897 0.349 1.00 0.00 N ATOM 733 CA LYS A 48 6.861 16.086 -0.813 1.00 0.00 C ATOM 734 C LYS A 48 7.840 16.838 -1.712 1.00 0.00 C ATOM 735 O LYS A 48 7.519 17.906 -2.232 1.00 0.00 O ATOM 736 CB LYS A 48 5.619 15.667 -1.621 1.00 0.00 C ATOM 737 CG LYS A 48 4.640 16.824 -1.839 1.00 0.00 C ATOM 738 CD LYS A 48 4.035 16.892 -3.243 1.00 0.00 C ATOM 739 CE LYS A 48 3.358 18.235 -3.544 1.00 0.00 C ATOM 740 NZ LYS A 48 4.274 19.389 -3.409 1.00 0.00 N ATOM 0 H LYS A 48 5.532 17.239 0.313 1.00 0.00 H new ATOM 0 HA LYS A 48 7.347 15.184 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.934 15.276 -2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.108 14.857 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.831 16.740 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.156 17.762 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.819 16.715 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.305 16.091 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.957 18.214 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.513 18.369 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.933 20.174 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.305 19.693 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.228 19.113 -3.717 1.00 0.00 H new ATOM 754 N GLY A 49 9.001 16.253 -1.959 1.00 0.00 N ATOM 755 CA GLY A 49 10.006 16.868 -2.808 1.00 0.00 C ATOM 756 C GLY A 49 9.575 16.896 -4.272 1.00 0.00 C ATOM 757 O GLY A 49 9.662 17.935 -4.932 1.00 0.00 O ATOM 0 H GLY A 49 9.271 15.346 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.197 17.885 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.944 16.320 -2.716 1.00 0.00 H new ATOM 761 N LYS A 50 9.062 15.771 -4.783 1.00 0.00 N ATOM 762 CA LYS A 50 8.646 15.591 -6.174 1.00 0.00 C ATOM 763 C LYS A 50 7.875 14.290 -6.324 1.00 0.00 C ATOM 764 O LYS A 50 7.933 13.455 -5.421 1.00 0.00 O ATOM 765 CB LYS A 50 9.937 15.488 -7.024 1.00 0.00 C ATOM 766 CG LYS A 50 10.941 14.447 -6.481 1.00 0.00 C ATOM 767 CD LYS A 50 12.245 14.345 -7.279 1.00 0.00 C ATOM 768 CE LYS A 50 13.095 13.275 -6.580 1.00 0.00 C ATOM 769 NZ LYS A 50 14.504 13.253 -7.017 1.00 0.00 N ATOM 0 H LYS A 50 8.921 14.934 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 50 8.013 16.420 -6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.670 15.226 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.420 16.465 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.181 14.697 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.460 13.469 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.047 14.069 -8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.765 15.303 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.061 13.444 -5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.652 12.296 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.015 12.507 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.548 13.062 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.944 14.174 -6.818 1.00 0.00 H new ATOM 783 N VAL A 51 7.116 14.134 -7.405 1.00 0.00 N ATOM 784 CA VAL A 51 6.358 12.923 -7.709 1.00 0.00 C ATOM 785 C VAL A 51 7.383 11.911 -8.238 1.00 0.00 C ATOM 786 O VAL A 51 8.441 12.282 -8.756 1.00 0.00 O ATOM 787 CB VAL A 51 5.239 13.240 -8.730 1.00 0.00 C ATOM 788 CG1 VAL A 51 4.625 11.985 -9.370 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.085 14.005 -8.072 1.00 0.00 C ATOM 0 H VAL A 51 7.008 14.863 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 51 5.850 12.513 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 51 5.730 13.837 -9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.848 12.279 -10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.400 11.428 -9.896 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.191 11.356 -8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.315 14.213 -8.815 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.661 13.403 -7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.457 14.944 -7.663 1.00 0.00 H new ATOM 799 N ILE A 52 7.083 10.624 -8.070 1.00 0.00 N ATOM 800 CA ILE A 52 7.925 9.522 -8.539 1.00 0.00 C ATOM 801 C ILE A 52 7.079 8.479 -9.278 1.00 0.00 C ATOM 802 O ILE A 52 7.561 7.858 -10.224 1.00 0.00 O ATOM 803 CB ILE A 52 8.791 8.922 -7.410 1.00 0.00 C ATOM 804 CG1 ILE A 52 7.944 8.346 -6.256 1.00 0.00 C ATOM 805 CG2 ILE A 52 9.802 9.973 -6.909 1.00 0.00 C ATOM 806 CD1 ILE A 52 8.789 7.654 -5.182 1.00 0.00 C ATOM 0 H ILE A 52 6.235 10.312 -7.597 1.00 0.00 H new ATOM 0 HA ILE A 52 8.640 9.921 -9.258 1.00 0.00 H new ATOM 0 HB ILE A 52 9.341 8.077 -7.824 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.370 9.151 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.225 7.633 -6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.409 9.543 -6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.447 10.279 -7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.265 10.841 -6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.137 7.270 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.343 6.829 -5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.490 8.370 -4.753 1.00 0.00 H new ATOM 818 N GLY A 53 5.811 8.329 -8.895 1.00 0.00 N ATOM 819 CA GLY A 53 4.866 7.386 -9.477 1.00 0.00 C ATOM 820 C GLY A 53 3.484 7.666 -8.904 1.00 0.00 C ATOM 821 O GLY A 53 3.334 8.639 -8.164 1.00 0.00 O ATOM 0 H GLY A 53 5.402 8.883 -8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.853 7.485 -10.562 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.167 6.362 -9.254 1.00 0.00 H new ATOM 825 N ALA A 54 2.474 6.851 -9.211 1.00 0.00 N ATOM 826 CA ALA A 54 1.118 7.046 -8.720 1.00 0.00 C ATOM 827 C ALA A 54 0.391 5.721 -8.520 1.00 0.00 C ATOM 828 O ALA A 54 0.353 4.932 -9.464 1.00 0.00 O ATOM 829 CB ALA A 54 0.347 7.899 -9.734 1.00 0.00 C ATOM 0 H ALA A 54 2.579 6.033 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 54 1.172 7.544 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.672 8.054 -9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.842 8.864 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.322 7.387 -10.696 1.00 0.00 H new ATOM 835 N ILE A 55 -0.183 5.463 -7.335 1.00 0.00 N ATOM 836 CA ILE A 55 -0.894 4.201 -7.116 1.00 0.00 C ATOM 837 C ILE A 55 -2.102 4.205 -8.056 1.00 0.00 C ATOM 838 O ILE A 55 -2.228 3.316 -8.888 1.00 0.00 O ATOM 839 CB ILE A 55 -1.226 3.974 -5.622 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.059 3.781 -4.783 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.144 2.764 -5.458 1.00 0.00 C ATOM 842 CD1 ILE A 55 -0.165 3.555 -3.282 1.00 0.00 C ATOM 0 H ILE A 55 -0.169 6.095 -6.535 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.272 3.340 -7.359 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.739 4.864 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.610 2.930 -5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.692 4.659 -4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.368 2.618 -4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.071 2.934 -6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.649 1.876 -5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.797 3.431 -2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.684 4.415 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.767 2.658 -3.135 1.00 0.00 H new ATOM 854 N GLY A 56 -2.980 5.205 -7.931 1.00 0.00 N ATOM 855 CA GLY A 56 -4.152 5.337 -8.785 1.00 0.00 C ATOM 856 C GLY A 56 -5.054 4.105 -8.840 1.00 0.00 C ATOM 857 O GLY A 56 -5.469 3.701 -9.930 1.00 0.00 O ATOM 0 H GLY A 56 -2.893 5.943 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.742 6.185 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.821 5.572 -9.797 1.00 0.00 H new ATOM 861 N GLN A 57 -5.340 3.485 -7.695 1.00 0.00 N ATOM 862 CA GLN A 57 -6.200 2.315 -7.603 1.00 0.00 C ATOM 863 C GLN A 57 -7.276 2.564 -6.539 1.00 0.00 C ATOM 864 O GLN A 57 -7.141 3.472 -5.704 1.00 0.00 O ATOM 865 CB GLN A 57 -5.372 1.061 -7.254 1.00 0.00 C ATOM 866 CG GLN A 57 -4.238 0.732 -8.228 1.00 0.00 C ATOM 867 CD GLN A 57 -3.887 -0.758 -8.223 1.00 0.00 C ATOM 868 OE1 GLN A 57 -4.563 -1.569 -8.852 1.00 0.00 O ATOM 869 NE2 GLN A 57 -2.833 -1.169 -7.527 1.00 0.00 N ATOM 0 H GLN A 57 -4.973 3.790 -6.794 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.679 2.142 -8.567 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.947 1.192 -6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.045 0.205 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.528 1.032 -9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.354 1.313 -7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.272 -0.495 -7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.584 -2.158 -7.514 1.00 0.00 H new ATOM 878 N THR A 58 -8.338 1.758 -6.584 1.00 0.00 N ATOM 879 CA THR A 58 -9.454 1.785 -5.659 1.00 0.00 C ATOM 880 C THR A 58 -9.884 0.335 -5.380 1.00 0.00 C ATOM 881 O THR A 58 -9.950 -0.462 -6.312 1.00 0.00 O ATOM 882 CB THR A 58 -10.628 2.597 -6.241 1.00 0.00 C ATOM 883 OG1 THR A 58 -10.225 3.829 -6.824 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.650 2.918 -5.142 1.00 0.00 C ATOM 0 H THR A 58 -8.441 1.040 -7.301 1.00 0.00 H new ATOM 0 HA THR A 58 -9.152 2.269 -4.730 1.00 0.00 H new ATOM 0 HB THR A 58 -11.061 1.970 -7.021 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.011 4.297 -7.176 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.473 3.492 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.034 1.989 -4.720 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.169 3.501 -4.357 1.00 0.00 H new ATOM 892 N PHE A 59 -10.164 -0.037 -4.125 1.00 0.00 N ATOM 893 CA PHE A 59 -10.628 -1.370 -3.710 1.00 0.00 C ATOM 894 C PHE A 59 -11.608 -1.198 -2.534 1.00 0.00 C ATOM 895 O PHE A 59 -11.778 -0.083 -2.030 1.00 0.00 O ATOM 896 CB PHE A 59 -9.474 -2.310 -3.323 1.00 0.00 C ATOM 897 CG PHE A 59 -8.488 -2.642 -4.428 1.00 0.00 C ATOM 898 CD1 PHE A 59 -8.886 -3.271 -5.621 1.00 0.00 C ATOM 899 CD2 PHE A 59 -7.149 -2.263 -4.279 1.00 0.00 C ATOM 900 CE1 PHE A 59 -7.959 -3.458 -6.664 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.232 -2.388 -5.330 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.635 -2.998 -6.529 1.00 0.00 C ATOM 0 H PHE A 59 -10.070 0.606 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.125 -1.840 -4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.925 -1.858 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.900 -3.242 -2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.904 -3.611 -5.737 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.815 -1.865 -3.332 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.265 -3.957 -7.572 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.223 -2.018 -5.219 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.934 -3.114 -7.342 1.00 0.00 H new ATOM 912 N PHE A 60 -12.247 -2.282 -2.071 1.00 0.00 N ATOM 913 CA PHE A 60 -13.195 -2.265 -0.954 1.00 0.00 C ATOM 914 C PHE A 60 -13.081 -3.540 -0.116 1.00 0.00 C ATOM 915 O PHE A 60 -12.764 -4.598 -0.671 1.00 0.00 O ATOM 916 CB PHE A 60 -14.642 -2.204 -1.473 1.00 0.00 C ATOM 917 CG PHE A 60 -14.980 -1.050 -2.392 1.00 0.00 C ATOM 918 CD1 PHE A 60 -14.699 -1.145 -3.766 1.00 0.00 C ATOM 919 CD2 PHE A 60 -15.598 0.108 -1.885 1.00 0.00 C ATOM 920 CE1 PHE A 60 -14.994 -0.073 -4.620 1.00 0.00 C ATOM 921 CE2 PHE A 60 -15.914 1.173 -2.745 1.00 0.00 C ATOM 922 CZ PHE A 60 -15.599 1.090 -4.113 1.00 0.00 C ATOM 0 H PHE A 60 -12.115 -3.211 -2.472 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.956 -1.388 -0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.855 -3.134 -2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.312 -2.164 -0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.255 -2.045 -4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.830 0.178 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.756 -0.141 -5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.399 2.056 -2.355 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.821 1.917 -4.772 1.00 0.00 H new ATOM 932 N VAL A 61 -13.360 -3.458 1.193 1.00 0.00 N ATOM 933 CA VAL A 61 -13.347 -4.600 2.103 1.00 0.00 C ATOM 934 C VAL A 61 -14.553 -4.499 3.037 1.00 0.00 C ATOM 935 O VAL A 61 -15.232 -3.469 3.077 1.00 0.00 O ATOM 936 CB VAL A 61 -12.038 -4.793 2.889 1.00 0.00 C ATOM 937 CG1 VAL A 61 -10.857 -5.067 1.970 1.00 0.00 C ATOM 938 CG2 VAL A 61 -11.738 -3.626 3.822 1.00 0.00 C ATOM 0 H VAL A 61 -13.604 -2.580 1.651 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.412 -5.496 1.485 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.190 -5.674 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.954 -5.197 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.046 -5.974 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.724 -4.227 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.804 -3.814 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.647 -2.709 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.548 -3.519 4.543 1.00 0.00 H new ATOM 948 N ASP A 62 -14.833 -5.566 3.769 1.00 0.00 N ATOM 949 CA ASP A 62 -15.923 -5.684 4.730 1.00 0.00 C ATOM 950 C ASP A 62 -15.351 -5.665 6.154 1.00 0.00 C ATOM 951 O ASP A 62 -14.151 -5.443 6.345 1.00 0.00 O ATOM 952 CB ASP A 62 -16.713 -6.965 4.431 1.00 0.00 C ATOM 953 CG ASP A 62 -16.146 -8.166 5.181 1.00 0.00 C ATOM 954 OD1 ASP A 62 -14.925 -8.389 5.054 1.00 0.00 O ATOM 955 OD2 ASP A 62 -16.875 -8.738 6.022 1.00 0.00 O ATOM 0 H ASP A 62 -14.278 -6.419 3.707 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.610 -4.842 4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.757 -6.822 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.693 -7.163 3.359 1.00 0.00 H new ATOM 960 N GLY A 63 -16.194 -5.883 7.168 1.00 0.00 N ATOM 961 CA GLY A 63 -15.764 -5.909 8.558 1.00 0.00 C ATOM 962 C GLY A 63 -14.827 -7.073 8.845 1.00 0.00 C ATOM 963 O GLY A 63 -14.095 -7.026 9.831 1.00 0.00 O ATOM 0 H GLY A 63 -17.193 -6.046 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.262 -4.972 8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.638 -5.979 9.206 1.00 0.00 H new ATOM 967 N ASP A 64 -14.867 -8.151 8.058 1.00 0.00 N ATOM 968 CA ASP A 64 -13.970 -9.301 8.234 1.00 0.00 C ATOM 969 C ASP A 64 -12.617 -8.976 7.596 1.00 0.00 C ATOM 970 O ASP A 64 -11.593 -9.550 7.962 1.00 0.00 O ATOM 971 CB ASP A 64 -14.559 -10.570 7.605 1.00 0.00 C ATOM 972 CG ASP A 64 -13.823 -11.831 8.063 1.00 0.00 C ATOM 973 OD1 ASP A 64 -13.819 -12.099 9.288 1.00 0.00 O ATOM 974 OD2 ASP A 64 -13.382 -12.640 7.222 1.00 0.00 O ATOM 0 H ASP A 64 -15.520 -8.253 7.281 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.845 -9.490 9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.614 -10.650 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.507 -10.494 6.519 1.00 0.00 H new ATOM 979 N GLY A 65 -12.585 -7.969 6.719 1.00 0.00 N ATOM 980 CA GLY A 65 -11.421 -7.499 5.998 1.00 0.00 C ATOM 981 C GLY A 65 -11.253 -8.261 4.687 1.00 0.00 C ATOM 982 O GLY A 65 -10.125 -8.389 4.215 1.00 0.00 O ATOM 0 H GLY A 65 -13.423 -7.436 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.520 -6.433 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.531 -7.625 6.614 1.00 0.00 H new ATOM 986 N LYS A 66 -12.326 -8.804 4.114 1.00 0.00 N ATOM 987 CA LYS A 66 -12.267 -9.563 2.875 1.00 0.00 C ATOM 988 C LYS A 66 -12.456 -8.650 1.688 1.00 0.00 C ATOM 989 O LYS A 66 -13.252 -7.712 1.736 1.00 0.00 O ATOM 990 CB LYS A 66 -13.316 -10.680 2.890 1.00 0.00 C ATOM 991 CG LYS A 66 -12.853 -11.838 3.798 1.00 0.00 C ATOM 992 CD LYS A 66 -13.247 -13.219 3.266 1.00 0.00 C ATOM 993 CE LYS A 66 -12.558 -13.527 1.927 1.00 0.00 C ATOM 994 NZ LYS A 66 -13.108 -14.728 1.273 1.00 0.00 N ATOM 0 H LYS A 66 -13.266 -8.727 4.503 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.283 -10.023 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.269 -10.288 3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.481 -11.047 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.769 -11.794 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.279 -11.704 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.979 -13.981 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.329 -13.266 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.668 -12.672 1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.490 -13.665 2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.610 -14.893 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.981 -15.551 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.122 -14.588 1.087 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.674 -8.884 0.636 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.723 -8.115 -0.599 1.00 0.00 C ATOM 1010 C ARG A 67 -13.059 -8.406 -1.270 1.00 0.00 C ATOM 1011 O ARG A 67 -13.303 -9.548 -1.647 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.528 -8.502 -1.496 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.578 -7.328 -1.758 1.00 0.00 C ATOM 1014 CD ARG A 67 -10.187 -6.260 -2.678 1.00 0.00 C ATOM 1015 NE ARG A 67 -10.370 -6.767 -4.046 1.00 0.00 N ATOM 1016 CZ ARG A 67 -9.442 -6.846 -5.007 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -8.243 -6.313 -4.841 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -9.680 -7.453 -6.154 1.00 0.00 N ATOM 0 H ARG A 67 -10.977 -9.628 0.621 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.647 -7.045 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.974 -9.314 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.901 -8.881 -2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.305 -6.869 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.658 -7.704 -2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.148 -5.938 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.540 -5.383 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.305 -7.094 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.014 -5.833 -3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.547 -6.382 -5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.591 -7.878 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.953 -7.497 -6.868 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.923 -7.402 -1.399 1.00 0.00 N ATOM 1033 CA TRP A 68 -15.220 -7.590 -2.036 1.00 0.00 C ATOM 1034 C TRP A 68 -15.023 -8.014 -3.491 1.00 0.00 C ATOM 1035 O TRP A 68 -14.197 -7.424 -4.193 1.00 0.00 O ATOM 1036 CB TRP A 68 -16.000 -6.274 -2.019 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.810 -5.980 -0.797 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.352 -5.722 0.448 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -18.262 -5.955 -0.693 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.414 -5.449 1.286 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.623 -5.616 0.643 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.308 -6.200 -1.604 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -19.966 -5.509 1.040 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.653 -6.124 -1.206 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -20.985 -5.779 0.113 1.00 0.00 C ATOM 0 H TRP A 68 -13.747 -6.452 -1.071 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.770 -8.358 -1.492 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.291 -5.458 -2.160 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.670 -6.266 -2.879 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.313 -5.728 0.742 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.317 -5.160 2.259 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -19.072 -6.451 -2.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -20.213 -5.221 2.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.436 -6.332 -1.920 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -22.021 -5.721 0.414 1.00 0.00 H new ATOM 1056 N SER A 69 -15.774 -9.012 -3.949 1.00 0.00 N ATOM 1057 CA SER A 69 -15.707 -9.490 -5.325 1.00 0.00 C ATOM 1058 C SER A 69 -16.366 -8.416 -6.202 1.00 0.00 C ATOM 1059 O SER A 69 -17.348 -7.805 -5.780 1.00 0.00 O ATOM 1060 CB SER A 69 -16.452 -10.824 -5.462 1.00 0.00 C ATOM 1061 OG SER A 69 -16.319 -11.644 -4.310 1.00 0.00 O ATOM 0 H SER A 69 -16.449 -9.514 -3.372 1.00 0.00 H new ATOM 0 HA SER A 69 -14.674 -9.660 -5.629 1.00 0.00 H new ATOM 0 HB2 SER A 69 -17.509 -10.629 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 69 -16.072 -11.361 -6.331 1.00 0.00 H new ATOM 0 HG SER A 69 -16.812 -12.480 -4.445 1.00 0.00 H new ATOM 1067 N GLU A 70 -15.892 -8.189 -7.429 1.00 0.00 N ATOM 1068 CA GLU A 70 -16.483 -7.163 -8.300 1.00 0.00 C ATOM 1069 C GLU A 70 -17.944 -7.472 -8.633 1.00 0.00 C ATOM 1070 O GLU A 70 -18.746 -6.563 -8.855 1.00 0.00 O ATOM 1071 CB GLU A 70 -15.686 -7.024 -9.590 1.00 0.00 C ATOM 1072 CG GLU A 70 -14.256 -6.549 -9.344 1.00 0.00 C ATOM 1073 CD GLU A 70 -13.533 -6.498 -10.680 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -12.998 -7.557 -11.082 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -13.564 -5.429 -11.326 1.00 0.00 O ATOM 0 H GLU A 70 -15.108 -8.695 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.449 -6.222 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.663 -7.985 -10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.191 -6.320 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.258 -5.565 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.743 -7.226 -8.661 1.00 0.00 H new ATOM 1082 N GLU A 71 -18.289 -8.756 -8.630 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.607 -9.294 -8.882 1.00 0.00 C ATOM 1084 C GLU A 71 -20.524 -8.766 -7.783 1.00 0.00 C ATOM 1085 O GLU A 71 -21.564 -8.194 -8.075 1.00 0.00 O ATOM 1086 CB GLU A 71 -19.489 -10.825 -8.905 1.00 0.00 C ATOM 1087 CG GLU A 71 -18.568 -11.224 -10.070 1.00 0.00 C ATOM 1088 CD GLU A 71 -18.083 -12.667 -9.999 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -18.917 -13.593 -9.990 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -16.840 -12.832 -9.954 1.00 0.00 O ATOM 0 H GLU A 71 -17.606 -9.489 -8.438 1.00 0.00 H new ATOM 0 HA GLU A 71 -20.029 -8.990 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -19.084 -11.188 -7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.472 -11.279 -9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.099 -11.074 -11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.704 -10.560 -10.083 1.00 0.00 H new ATOM 1097 N GLU A 72 -20.107 -8.867 -6.521 1.00 0.00 N ATOM 1098 CA GLU A 72 -20.857 -8.395 -5.356 1.00 0.00 C ATOM 1099 C GLU A 72 -21.066 -6.874 -5.453 1.00 0.00 C ATOM 1100 O GLU A 72 -22.081 -6.341 -4.999 1.00 0.00 O ATOM 1101 CB GLU A 72 -20.099 -8.755 -4.069 1.00 0.00 C ATOM 1102 CG GLU A 72 -19.809 -10.256 -3.918 1.00 0.00 C ATOM 1103 CD GLU A 72 -21.025 -11.068 -3.487 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -21.594 -10.756 -2.414 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -21.333 -12.074 -4.168 1.00 0.00 O ATOM 0 H GLU A 72 -19.213 -9.291 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.833 -8.880 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.156 -8.209 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.680 -8.419 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.440 -10.644 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.012 -10.393 -3.187 1.00 0.00 H new ATOM 1112 N LEU A 73 -20.110 -6.160 -6.061 1.00 0.00 N ATOM 1113 CA LEU A 73 -20.177 -4.714 -6.259 1.00 0.00 C ATOM 1114 C LEU A 73 -21.147 -4.379 -7.405 1.00 0.00 C ATOM 1115 O LEU A 73 -21.616 -3.241 -7.490 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.783 -4.130 -6.567 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.683 -4.349 -5.519 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -16.384 -3.679 -5.979 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -18.083 -3.787 -4.158 1.00 0.00 C ATOM 0 H LEU A 73 -19.258 -6.580 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.541 -4.265 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.440 -4.555 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.893 -3.057 -6.722 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.534 -5.424 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.608 -3.838 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.068 -4.112 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.551 -2.609 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.280 -3.961 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.265 -2.716 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -18.990 -4.282 -3.812 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.452 -5.321 -8.308 1.00 0.00 N ATOM 1132 CA LYS A 74 -22.371 -5.113 -9.433 1.00 0.00 C ATOM 1133 C LYS A 74 -23.742 -5.741 -9.153 1.00 0.00 C ATOM 1134 O LYS A 74 -24.693 -5.408 -9.860 1.00 0.00 O ATOM 1135 CB LYS A 74 -21.708 -5.509 -10.772 1.00 0.00 C ATOM 1136 CG LYS A 74 -21.947 -6.953 -11.245 1.00 0.00 C ATOM 1137 CD LYS A 74 -20.827 -7.481 -12.152 1.00 0.00 C ATOM 1138 CE LYS A 74 -20.679 -6.673 -13.447 1.00 0.00 C ATOM 1139 NZ LYS A 74 -19.589 -7.194 -14.293 1.00 0.00 N ATOM 0 H LYS A 74 -21.061 -6.262 -8.276 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.583 -4.050 -9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.067 -4.831 -11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.633 -5.351 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.040 -7.604 -10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.895 -7.001 -11.782 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.884 -7.460 -11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.028 -8.523 -12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.616 -6.701 -14.003 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.484 -5.629 -13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.519 -6.623 -15.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.691 -7.144 -13.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.788 -8.183 -14.545 1.00 0.00 H new ATOM 1321 N ARG A 86 -23.471 -6.601 4.123 1.00 0.00 N ATOM 1322 CA ARG A 86 -22.218 -6.373 4.838 1.00 0.00 C ATOM 1323 C ARG A 86 -21.716 -4.928 4.701 1.00 0.00 C ATOM 1324 O ARG A 86 -22.206 -4.184 3.844 1.00 0.00 O ATOM 1325 CB ARG A 86 -21.218 -7.377 4.239 1.00 0.00 C ATOM 1326 CG ARG A 86 -20.116 -7.842 5.182 1.00 0.00 C ATOM 1327 CD ARG A 86 -20.606 -8.825 6.237 1.00 0.00 C ATOM 1328 NE ARG A 86 -19.443 -9.411 6.914 1.00 0.00 N ATOM 1329 CZ ARG A 86 -19.393 -9.888 8.154 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -20.437 -9.775 8.967 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -18.279 -10.471 8.566 1.00 0.00 N ATOM 0 HA ARG A 86 -22.350 -6.519 5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.770 -8.251 3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.755 -6.924 3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.322 -8.309 4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -19.680 -6.974 5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -21.246 -8.317 6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.207 -9.608 5.774 1.00 0.00 H new ATOM 0 HE ARG A 86 -18.579 -9.457 6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -21.289 -9.318 8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -20.387 -10.145 9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.480 -10.547 7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.219 -10.844 9.513 1.00 0.00 H new ATOM 1345 N GLU A 87 -20.767 -4.499 5.546 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.214 -3.141 5.443 1.00 0.00 C ATOM 1347 C GLU A 87 -19.297 -3.074 4.218 1.00 0.00 C ATOM 1348 O GLU A 87 -18.831 -4.110 3.727 1.00 0.00 O ATOM 1349 CB GLU A 87 -19.507 -2.645 6.710 1.00 0.00 C ATOM 1350 CG GLU A 87 -18.129 -3.238 6.917 1.00 0.00 C ATOM 1351 CD GLU A 87 -17.457 -2.673 8.175 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -17.043 -1.491 8.159 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -17.240 -3.425 9.150 1.00 0.00 O ATOM 0 H GLU A 87 -20.371 -5.063 6.298 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.054 -2.457 5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.421 -1.559 6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.127 -2.880 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.207 -4.322 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.507 -3.029 6.046 1.00 0.00 H new ATOM 1360 N LYS A 88 -18.987 -1.867 3.742 1.00 0.00 N ATOM 1361 CA LYS A 88 -18.135 -1.699 2.574 1.00 0.00 C ATOM 1362 C LYS A 88 -17.217 -0.502 2.770 1.00 0.00 C ATOM 1363 O LYS A 88 -17.593 0.650 2.538 1.00 0.00 O ATOM 1364 CB LYS A 88 -19.033 -1.627 1.331 1.00 0.00 C ATOM 1365 CG LYS A 88 -18.216 -1.796 0.048 1.00 0.00 C ATOM 1366 CD LYS A 88 -19.034 -2.435 -1.074 1.00 0.00 C ATOM 1367 CE LYS A 88 -20.193 -1.557 -1.543 1.00 0.00 C ATOM 1368 NZ LYS A 88 -21.159 -2.275 -2.403 1.00 0.00 N ATOM 0 H LYS A 88 -19.316 -0.993 4.151 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.466 -2.547 2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.796 -2.404 1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.554 -0.670 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.850 -0.823 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.341 -2.412 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.379 -2.644 -1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -19.427 -3.392 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -20.716 -1.162 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.794 -0.703 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -21.920 -1.626 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -20.672 -2.630 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -21.565 -3.075 -1.876 1.00 0.00 H new ATOM 1382 N LYS A 89 -15.987 -0.777 3.194 1.00 0.00 N ATOM 1383 CA LYS A 89 -14.936 0.192 3.464 1.00 0.00 C ATOM 1384 C LYS A 89 -14.157 0.477 2.179 1.00 0.00 C ATOM 1385 O LYS A 89 -13.400 -0.394 1.745 1.00 0.00 O ATOM 1386 CB LYS A 89 -13.962 -0.365 4.524 1.00 0.00 C ATOM 1387 CG LYS A 89 -14.614 -0.910 5.802 1.00 0.00 C ATOM 1388 CD LYS A 89 -13.518 -1.475 6.722 1.00 0.00 C ATOM 1389 CE LYS A 89 -14.166 -2.385 7.758 1.00 0.00 C ATOM 1390 NZ LYS A 89 -13.219 -2.872 8.779 1.00 0.00 N ATOM 0 H LYS A 89 -15.683 -1.735 3.367 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.392 1.110 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.375 -1.162 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.265 0.425 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.162 -0.118 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.336 -1.688 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.785 -2.031 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.984 -0.663 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.975 -1.845 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.615 -3.239 7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.720 -3.485 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.459 -3.413 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.809 -2.062 9.286 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.344 1.629 1.519 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.605 1.973 0.314 1.00 0.00 C ATOM 1406 C PRO A 90 -12.154 2.288 0.686 1.00 0.00 C ATOM 1407 O PRO A 90 -11.874 2.850 1.749 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.297 3.219 -0.241 1.00 0.00 C ATOM 1409 CG PRO A 90 -14.864 3.886 1.003 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.215 2.718 1.910 1.00 0.00 C ATOM 0 HA PRO A 90 -13.592 1.164 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.596 3.870 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.082 2.961 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.136 4.550 1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.741 4.489 0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -15.065 2.980 2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.263 2.439 1.798 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.237 2.009 -0.233 1.00 0.00 N ATOM 1419 CA LEU A 91 -9.803 2.215 -0.108 1.00 0.00 C ATOM 1420 C LEU A 91 -9.421 2.915 -1.407 1.00 0.00 C ATOM 1421 O LEU A 91 -9.386 2.269 -2.451 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.083 0.858 0.072 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.623 -0.041 1.208 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -8.998 -1.433 1.103 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.348 0.520 2.604 1.00 0.00 C ATOM 0 H LEU A 91 -11.491 1.610 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.517 2.807 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.148 0.306 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.026 1.050 0.256 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.705 -0.085 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.380 -2.065 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.253 -1.875 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.914 -1.353 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.752 -0.159 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.273 0.623 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.823 1.496 2.704 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.252 4.240 -1.390 1.00 0.00 N ATOM 1438 CA ARG A 92 -8.897 5.053 -2.555 1.00 0.00 C ATOM 1439 C ARG A 92 -7.444 5.473 -2.409 1.00 0.00 C ATOM 1440 O ARG A 92 -7.134 6.253 -1.505 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.792 6.299 -2.590 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.235 6.019 -3.027 1.00 0.00 C ATOM 1443 CD ARG A 92 -12.084 7.263 -2.765 1.00 0.00 C ATOM 1444 NE ARG A 92 -13.353 7.236 -3.500 1.00 0.00 N ATOM 1445 CZ ARG A 92 -14.269 8.209 -3.506 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -14.144 9.300 -2.761 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -15.337 8.069 -4.278 1.00 0.00 N ATOM 0 H ARG A 92 -9.362 4.792 -0.540 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.035 4.488 -3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.805 6.752 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.353 7.030 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.264 5.759 -4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.636 5.167 -2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.287 7.343 -1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.520 8.151 -3.050 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.553 6.403 -4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.329 9.416 -2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.863 10.023 -2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.446 7.232 -4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.050 8.798 -4.299 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.555 4.962 -3.257 1.00 0.00 N ATOM 1462 CA TYR A 93 -5.139 5.298 -3.191 1.00 0.00 C ATOM 1463 C TYR A 93 -4.809 6.431 -4.157 1.00 0.00 C ATOM 1464 O TYR A 93 -5.380 6.560 -5.241 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.285 4.064 -3.421 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.424 2.985 -2.362 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -5.498 2.084 -2.431 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -3.489 2.862 -1.316 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -5.643 1.059 -1.484 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -3.641 1.851 -0.347 1.00 0.00 C ATOM 1471 CZ TYR A 93 -4.711 0.931 -0.431 1.00 0.00 C ATOM 1472 OH TYR A 93 -4.849 -0.090 0.457 1.00 0.00 O ATOM 0 H TYR A 93 -6.795 4.309 -4.003 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.906 5.660 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.543 3.637 -4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.240 4.368 -3.474 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.224 2.181 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.654 3.544 -1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.469 0.367 -1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.934 1.778 0.467 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.131 -0.045 1.122 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.873 7.250 -3.715 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.245 8.440 -4.168 1.00 0.00 C ATOM 1484 C GLY A 94 -1.903 8.311 -4.865 1.00 0.00 C ATOM 1485 O GLY A 94 -1.332 7.222 -4.979 1.00 0.00 O ATOM 0 H GLY A 94 -3.457 7.013 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.930 8.941 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.114 9.098 -3.309 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.488 9.393 -5.520 1.00 0.00 N ATOM 1490 CA LYS A 95 -0.214 9.437 -6.212 1.00 0.00 C ATOM 1491 C LYS A 95 0.931 9.342 -5.173 1.00 0.00 C ATOM 1492 O LYS A 95 0.704 9.487 -3.970 1.00 0.00 O ATOM 1493 CB LYS A 95 -0.225 10.751 -6.985 1.00 0.00 C ATOM 1494 CG LYS A 95 1.033 11.023 -7.808 1.00 0.00 C ATOM 1495 CD LYS A 95 0.728 11.958 -8.988 1.00 0.00 C ATOM 1496 CE LYS A 95 -0.261 13.109 -8.750 1.00 0.00 C ATOM 1497 NZ LYS A 95 0.143 14.088 -7.721 1.00 0.00 N ATOM 0 H LYS A 95 -2.027 10.257 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.056 8.608 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.087 10.756 -7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.364 11.570 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.797 11.471 -7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.439 10.082 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.670 12.390 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.344 11.350 -9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.411 13.638 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.224 12.685 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.464 14.930 -7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.044 13.661 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.134 14.364 -7.874 1.00 0.00 H new ATOM 1511 N VAL A 96 2.152 9.047 -5.633 1.00 0.00 N ATOM 1512 CA VAL A 96 3.338 8.875 -4.797 1.00 0.00 C ATOM 1513 C VAL A 96 4.348 9.992 -5.060 1.00 0.00 C ATOM 1514 O VAL A 96 4.495 10.501 -6.175 1.00 0.00 O ATOM 1515 CB VAL A 96 3.943 7.468 -5.042 1.00 0.00 C ATOM 1516 CG1 VAL A 96 5.135 7.150 -4.135 1.00 0.00 C ATOM 1517 CG2 VAL A 96 2.922 6.358 -4.772 1.00 0.00 C ATOM 0 H VAL A 96 2.344 8.918 -6.626 1.00 0.00 H new ATOM 0 HA VAL A 96 3.059 8.943 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 96 4.256 7.496 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.508 6.151 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.927 7.880 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.820 7.193 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.383 5.387 -4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.590 6.413 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.065 6.483 -5.434 1.00 0.00 H new ATOM 1527 N TYR A 97 5.099 10.344 -4.023 1.00 0.00 N ATOM 1528 CA TYR A 97 6.114 11.377 -4.018 1.00 0.00 C ATOM 1529 C TYR A 97 7.342 10.873 -3.276 1.00 0.00 C ATOM 1530 O TYR A 97 7.316 9.798 -2.688 1.00 0.00 O ATOM 1531 CB TYR A 97 5.572 12.637 -3.324 1.00 0.00 C ATOM 1532 CG TYR A 97 4.143 13.005 -3.663 1.00 0.00 C ATOM 1533 CD1 TYR A 97 3.076 12.421 -2.956 1.00 0.00 C ATOM 1534 CD2 TYR A 97 3.885 13.907 -4.705 1.00 0.00 C ATOM 1535 CE1 TYR A 97 1.744 12.685 -3.317 1.00 0.00 C ATOM 1536 CE2 TYR A 97 2.556 14.186 -5.075 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.482 13.543 -4.408 1.00 0.00 C ATOM 1538 OH TYR A 97 0.205 13.722 -4.843 1.00 0.00 O ATOM 0 H TYR A 97 5.007 9.888 -3.115 1.00 0.00 H new ATOM 0 HA TYR A 97 6.384 11.624 -5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.647 12.497 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.216 13.478 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.283 11.762 -2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.703 14.386 -5.222 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.930 12.237 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.354 14.891 -5.868 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.230 14.416 -4.304 1.00 0.00 H new ATOM 1548 N SER A 98 8.424 11.637 -3.299 1.00 0.00 N ATOM 1549 CA SER A 98 9.667 11.321 -2.623 1.00 0.00 C ATOM 1550 C SER A 98 9.792 12.252 -1.422 1.00 0.00 C ATOM 1551 O SER A 98 9.236 13.360 -1.423 1.00 0.00 O ATOM 1552 CB SER A 98 10.817 11.493 -3.618 1.00 0.00 C ATOM 1553 OG SER A 98 12.082 11.281 -3.036 1.00 0.00 O ATOM 0 H SER A 98 8.459 12.522 -3.806 1.00 0.00 H new ATOM 0 HA SER A 98 9.693 10.292 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.682 10.796 -4.445 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.780 12.498 -4.038 1.00 0.00 H new ATOM 0 HG SER A 98 12.779 11.402 -3.715 1.00 0.00 H new ATOM 1559 N THR A 99 10.458 11.765 -0.379 1.00 0.00 N ATOM 1560 CA THR A 99 10.692 12.544 0.824 1.00 0.00 C ATOM 1561 C THR A 99 11.719 13.613 0.462 1.00 0.00 C ATOM 1562 O THR A 99 12.555 13.386 -0.421 1.00 0.00 O ATOM 1563 CB THR A 99 11.121 11.636 1.983 1.00 0.00 C ATOM 1564 OG1 THR A 99 12.113 10.703 1.600 1.00 0.00 O ATOM 1565 CG2 THR A 99 9.921 10.854 2.523 1.00 0.00 C ATOM 0 H THR A 99 10.848 10.823 -0.348 1.00 0.00 H new ATOM 0 HA THR A 99 9.785 13.034 1.179 1.00 0.00 H new ATOM 0 HB THR A 99 11.533 12.293 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 99 11.685 9.913 1.209 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.243 10.215 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.164 11.551 2.881 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.500 10.238 1.728 1.00 0.00 H new ATOM 1669 N ASP A 107 14.901 5.298 0.201 1.00 0.00 N ATOM 1670 CA ASP A 107 14.462 4.251 1.117 1.00 0.00 C ATOM 1671 C ASP A 107 13.118 4.646 1.701 1.00 0.00 C ATOM 1672 O ASP A 107 12.395 3.804 2.213 1.00 0.00 O ATOM 1673 CB ASP A 107 15.428 3.995 2.266 1.00 0.00 C ATOM 1674 CG ASP A 107 16.877 3.839 1.829 1.00 0.00 C ATOM 1675 OD1 ASP A 107 17.186 2.847 1.140 1.00 0.00 O ATOM 1676 OD2 ASP A 107 17.699 4.704 2.215 1.00 0.00 O ATOM 0 HA ASP A 107 14.405 3.331 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.359 4.819 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.119 3.093 2.794 1.00 0.00 H new ATOM 1681 N GLU A 108 12.743 5.920 1.623 1.00 0.00 N ATOM 1682 CA GLU A 108 11.492 6.439 2.132 1.00 0.00 C ATOM 1683 C GLU A 108 10.886 7.297 1.037 1.00 0.00 C ATOM 1684 O GLU A 108 11.577 8.030 0.321 1.00 0.00 O ATOM 1685 CB GLU A 108 11.767 7.260 3.390 1.00 0.00 C ATOM 1686 CG GLU A 108 11.747 6.429 4.669 1.00 0.00 C ATOM 1687 CD GLU A 108 12.099 7.278 5.886 1.00 0.00 C ATOM 1688 OE1 GLU A 108 13.060 8.083 5.809 1.00 0.00 O ATOM 1689 OE2 GLU A 108 11.377 7.182 6.899 1.00 0.00 O ATOM 0 H GLU A 108 13.325 6.636 1.189 1.00 0.00 H new ATOM 0 HA GLU A 108 10.800 5.641 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.739 7.744 3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.023 8.053 3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.759 5.988 4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.455 5.605 4.581 1.00 0.00 H new ATOM 1696 N ILE A 109 9.568 7.231 0.932 1.00 0.00 N ATOM 1697 CA ILE A 109 8.772 7.961 -0.044 1.00 0.00 C ATOM 1698 C ILE A 109 7.457 8.395 0.624 1.00 0.00 C ATOM 1699 O ILE A 109 7.236 8.129 1.803 1.00 0.00 O ATOM 1700 CB ILE A 109 8.605 7.092 -1.315 1.00 0.00 C ATOM 1701 CG1 ILE A 109 7.890 5.761 -1.046 1.00 0.00 C ATOM 1702 CG2 ILE A 109 9.943 6.826 -2.027 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.385 5.962 -0.877 1.00 0.00 C ATOM 0 H ILE A 109 9.002 6.646 1.547 1.00 0.00 H new ATOM 0 HA ILE A 109 9.260 8.877 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 109 7.972 7.685 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.077 5.073 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.300 5.301 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.769 6.213 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.391 7.774 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.618 6.303 -1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.908 5.000 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.199 6.631 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.972 6.399 -1.786 1.00 0.00 H new ATOM 1715 N ILE A 110 6.547 9.050 -0.096 1.00 0.00 N ATOM 1716 CA ILE A 110 5.274 9.523 0.430 1.00 0.00 C ATOM 1717 C ILE A 110 4.135 8.989 -0.444 1.00 0.00 C ATOM 1718 O ILE A 110 4.117 9.237 -1.646 1.00 0.00 O ATOM 1719 CB ILE A 110 5.323 11.062 0.530 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.706 11.518 1.051 1.00 0.00 C ATOM 1721 CG2 ILE A 110 4.205 11.600 1.427 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.765 12.981 1.420 1.00 0.00 C ATOM 0 H ILE A 110 6.681 9.270 -1.083 1.00 0.00 H new ATOM 0 HA ILE A 110 5.086 9.147 1.436 1.00 0.00 H new ATOM 0 HB ILE A 110 5.169 11.471 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.970 10.921 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.457 11.315 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.269 12.687 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.238 11.311 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.311 11.185 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.765 13.226 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.533 13.587 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.039 13.188 2.206 1.00 0.00 H new ATOM 1734 N VAL A 111 3.238 8.195 0.139 1.00 0.00 N ATOM 1735 CA VAL A 111 2.066 7.570 -0.471 1.00 0.00 C ATOM 1736 C VAL A 111 0.818 8.329 -0.056 1.00 0.00 C ATOM 1737 O VAL A 111 0.624 8.594 1.129 1.00 0.00 O ATOM 1738 CB VAL A 111 1.954 6.117 0.034 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.561 5.446 0.097 1.00 0.00 C ATOM 1740 CG2 VAL A 111 2.949 5.275 -0.744 1.00 0.00 C ATOM 0 H VAL A 111 3.319 7.954 1.127 1.00 0.00 H new ATOM 0 HA VAL A 111 2.165 7.586 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 111 2.183 6.179 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.664 4.428 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.087 6.016 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.124 5.421 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.892 4.240 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.714 5.324 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.957 5.656 -0.577 1.00 0.00 H new ATOM 1750 N GLU A 112 -0.015 8.719 -1.016 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.259 9.401 -0.708 1.00 0.00 C ATOM 1752 C GLU A 112 -2.342 8.323 -0.554 1.00 0.00 C ATOM 1753 O GLU A 112 -2.378 7.353 -1.316 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.583 10.352 -1.842 1.00 0.00 C ATOM 1755 CG GLU A 112 -2.938 11.079 -1.783 1.00 0.00 C ATOM 1756 CD GLU A 112 -3.214 11.869 -3.077 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -2.287 12.152 -3.880 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -4.402 12.172 -3.329 1.00 0.00 O ATOM 0 H GLU A 112 0.152 8.573 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.193 9.982 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.797 11.106 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.540 9.792 -2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.735 10.353 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.950 11.759 -0.931 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.233 8.473 0.421 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.332 7.557 0.679 1.00 0.00 C ATOM 1767 C PHE A 113 -5.485 8.386 1.238 1.00 0.00 C ATOM 1768 O PHE A 113 -5.235 9.346 1.955 1.00 0.00 O ATOM 1769 CB PHE A 113 -3.879 6.443 1.630 1.00 0.00 C ATOM 1770 CG PHE A 113 -4.933 5.377 1.819 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.418 4.672 0.707 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -5.450 5.098 3.093 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.436 3.721 0.843 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -6.468 4.142 3.233 1.00 0.00 C ATOM 1775 CZ PHE A 113 -6.978 3.466 2.112 1.00 0.00 C ATOM 0 H PHE A 113 -3.207 9.259 1.071 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.664 7.055 -0.230 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -2.970 5.985 1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.628 6.876 2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.999 4.866 -0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.067 5.615 3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.802 3.188 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.864 3.924 4.214 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.782 2.754 2.226 1.00 0.00 H new ATOM 1785 N ASN A 114 -6.742 8.038 0.954 1.00 0.00 N ATOM 1786 CA ASN A 114 -7.939 8.773 1.399 1.00 0.00 C ATOM 1787 C ASN A 114 -7.790 10.305 1.215 1.00 0.00 C ATOM 1788 O ASN A 114 -8.396 11.081 1.958 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.302 8.424 2.865 1.00 0.00 C ATOM 1790 CG ASN A 114 -8.715 6.983 3.135 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -8.387 6.421 4.173 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -9.516 6.353 2.289 1.00 0.00 N ATOM 0 H ASN A 114 -6.967 7.216 0.393 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.761 8.451 0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.443 8.657 3.495 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.115 9.078 3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.850 5.414 2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.799 6.807 1.420 1.00 0.00 H new ATOM 1799 N ARG A 115 -7.083 10.749 0.162 1.00 0.00 N ATOM 1800 CA ARG A 115 -6.806 12.150 -0.193 1.00 0.00 C ATOM 1801 C ARG A 115 -5.893 12.859 0.823 1.00 0.00 C ATOM 1802 O ARG A 115 -5.917 14.086 0.904 1.00 0.00 O ATOM 1803 CB ARG A 115 -8.095 12.964 -0.425 1.00 0.00 C ATOM 1804 CG ARG A 115 -9.266 12.258 -1.120 1.00 0.00 C ATOM 1805 CD ARG A 115 -8.881 11.636 -2.465 1.00 0.00 C ATOM 1806 NE ARG A 115 -10.023 11.597 -3.394 1.00 0.00 N ATOM 1807 CZ ARG A 115 -10.506 12.646 -4.069 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -9.960 13.850 -3.933 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -11.531 12.470 -4.888 1.00 0.00 N ATOM 0 H ARG A 115 -6.665 10.099 -0.504 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.264 12.104 -1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.445 13.321 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.835 13.843 -1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.653 11.479 -0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.073 12.974 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.068 12.209 -2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.508 10.625 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.483 10.697 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -9.164 13.981 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -10.337 14.643 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.943 11.543 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.909 13.261 -5.409 1.00 0.00 H new ATOM 1823 N GLU A 116 -5.105 12.129 1.604 1.00 0.00 N ATOM 1824 CA GLU A 116 -4.182 12.608 2.623 1.00 0.00 C ATOM 1825 C GLU A 116 -2.812 12.043 2.252 1.00 0.00 C ATOM 1826 O GLU A 116 -2.726 10.945 1.697 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.637 12.129 4.012 1.00 0.00 C ATOM 1828 CG GLU A 116 -5.975 12.728 4.478 1.00 0.00 C ATOM 1829 CD GLU A 116 -6.495 12.100 5.779 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -5.690 11.550 6.568 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -7.712 12.207 6.064 1.00 0.00 O ATOM 0 H GLU A 116 -5.095 11.111 1.535 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.146 13.697 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.723 11.042 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.866 12.379 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.855 13.802 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.720 12.593 3.693 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.734 12.785 2.499 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.383 12.340 2.161 1.00 0.00 C ATOM 1840 C TYR A 117 0.252 11.687 3.386 1.00 0.00 C ATOM 1841 O TYR A 117 0.256 12.267 4.466 1.00 0.00 O ATOM 1842 CB TYR A 117 0.469 13.508 1.630 1.00 0.00 C ATOM 1843 CG TYR A 117 0.095 14.138 0.285 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -1.158 13.940 -0.332 1.00 0.00 C ATOM 1845 CD2 TYR A 117 1.036 14.963 -0.356 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.492 14.599 -1.526 1.00 0.00 C ATOM 1847 CE2 TYR A 117 0.713 15.628 -1.557 1.00 0.00 C ATOM 1848 CZ TYR A 117 -0.569 15.475 -2.132 1.00 0.00 C ATOM 1849 OH TYR A 117 -0.932 16.138 -3.268 1.00 0.00 O ATOM 0 H TYR A 117 -1.771 13.706 2.936 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.435 11.602 1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.452 14.298 2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.499 13.159 1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.873 13.270 0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.018 15.089 0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.458 14.434 -1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 117 1.448 16.256 -2.039 1.00 0.00 H new ATOM 0 HH TYR A 117 -0.191 16.705 -3.567 1.00 0.00 H new ATOM 1859 N TYR A 118 0.821 10.496 3.242 1.00 0.00 N ATOM 1860 CA TYR A 118 1.467 9.766 4.335 1.00 0.00 C ATOM 1861 C TYR A 118 2.899 9.455 3.947 1.00 0.00 C ATOM 1862 O TYR A 118 3.153 9.232 2.767 1.00 0.00 O ATOM 1863 CB TYR A 118 0.706 8.471 4.644 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.720 8.678 5.109 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -1.753 8.759 4.160 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -1.019 8.786 6.481 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -3.081 8.934 4.577 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -2.348 8.974 6.903 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.389 9.040 5.952 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.683 9.151 6.360 1.00 0.00 O ATOM 0 H TYR A 118 0.849 10.000 2.351 1.00 0.00 H new ATOM 0 HA TYR A 118 1.459 10.384 5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.697 7.848 3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.249 7.919 5.412 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -1.524 8.686 3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.226 8.724 7.211 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.872 8.988 3.843 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -2.572 9.068 7.955 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.860 10.073 6.641 1.00 0.00 H new ATOM 1880 N ARG A 119 3.852 9.427 4.878 1.00 0.00 N ATOM 1881 CA ARG A 119 5.252 9.100 4.604 1.00 0.00 C ATOM 1882 C ARG A 119 5.425 7.617 4.914 1.00 0.00 C ATOM 1883 O ARG A 119 4.988 7.167 5.979 1.00 0.00 O ATOM 1884 CB ARG A 119 6.210 9.975 5.429 1.00 0.00 C ATOM 1885 CG ARG A 119 7.691 9.739 5.080 1.00 0.00 C ATOM 1886 CD ARG A 119 8.393 8.659 5.917 1.00 0.00 C ATOM 1887 NE ARG A 119 8.723 9.138 7.267 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.829 9.810 7.612 1.00 0.00 C ATOM 1889 NH1 ARG A 119 10.769 10.121 6.729 1.00 0.00 N ATOM 1890 NH2 ARG A 119 9.960 10.203 8.866 1.00 0.00 N ATOM 0 H ARG A 119 3.671 9.634 5.860 1.00 0.00 H new ATOM 0 HA ARG A 119 5.499 9.302 3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.967 11.025 5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 119 6.056 9.774 6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.761 9.464 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.231 10.678 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.750 7.782 5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.305 8.344 5.411 1.00 0.00 H new ATOM 0 HE ARG A 119 8.049 8.941 8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.662 9.847 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.599 10.634 7.027 1.00 0.00 H new ATOM 0 HH21 ARG A 119 9.229 9.993 9.545 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.793 10.716 9.155 1.00 0.00 H new ATOM 1904 N ALA A 120 6.065 6.891 3.999 1.00 0.00 N ATOM 1905 CA ALA A 120 6.324 5.460 4.124 1.00 0.00 C ATOM 1906 C ALA A 120 7.828 5.168 4.058 1.00 0.00 C ATOM 1907 O ALA A 120 8.578 5.968 3.497 1.00 0.00 O ATOM 1908 CB ALA A 120 5.659 4.646 3.010 1.00 0.00 C ATOM 0 H ALA A 120 6.425 7.291 3.132 1.00 0.00 H new ATOM 0 HA ALA A 120 5.908 5.169 5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.883 3.588 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.580 4.796 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.041 4.973 2.043 1.00 0.00 H new ATOM 1914 N VAL A 121 8.234 3.966 4.479 1.00 0.00 N ATOM 1915 CA VAL A 121 9.621 3.498 4.501 1.00 0.00 C ATOM 1916 C VAL A 121 9.775 2.067 3.987 1.00 0.00 C ATOM 1917 O VAL A 121 8.950 1.205 4.274 1.00 0.00 O ATOM 1918 CB VAL A 121 10.142 3.632 5.943 1.00 0.00 C ATOM 1919 CG1 VAL A 121 9.288 2.932 6.977 1.00 0.00 C ATOM 1920 CG2 VAL A 121 11.617 3.254 6.099 1.00 0.00 C ATOM 0 H VAL A 121 7.579 3.266 4.827 1.00 0.00 H new ATOM 0 HA VAL A 121 10.211 4.113 3.821 1.00 0.00 H new ATOM 0 HB VAL A 121 10.061 4.700 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.724 3.075 7.966 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.281 3.349 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.243 1.867 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.915 3.373 7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.761 2.217 5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.227 3.903 5.471 1.00 0.00 H new ATOM 1930 N LEU A 122 10.827 1.799 3.215 1.00 0.00 N ATOM 1931 CA LEU A 122 11.174 0.503 2.641 1.00 0.00 C ATOM 1932 C LEU A 122 11.452 -0.376 3.857 1.00 0.00 C ATOM 1933 O LEU A 122 12.251 -0.022 4.722 1.00 0.00 O ATOM 1934 CB LEU A 122 12.312 0.705 1.626 1.00 0.00 C ATOM 1935 CG LEU A 122 12.698 -0.490 0.765 1.00 0.00 C ATOM 1936 CD1 LEU A 122 11.540 -0.923 -0.126 1.00 0.00 C ATOM 1937 CD2 LEU A 122 13.841 -0.129 -0.187 1.00 0.00 C ATOM 0 H LEU A 122 11.498 2.524 2.960 1.00 0.00 H new ATOM 0 HA LEU A 122 10.407 0.006 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.031 1.523 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.198 1.028 2.172 1.00 0.00 H new ATOM 0 HG LEU A 122 12.985 -1.283 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.845 -1.778 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.688 -1.202 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.257 -0.099 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.099 -0.998 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.528 0.686 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.711 0.182 0.391 1.00 0.00 H new ATOM 1949 N ILE A 123 10.733 -1.488 3.949 1.00 0.00 N ATOM 1950 CA ILE A 123 10.753 -2.419 5.072 1.00 0.00 C ATOM 1951 C ILE A 123 11.977 -3.315 5.084 1.00 0.00 C ATOM 1952 O ILE A 123 12.705 -3.394 6.064 1.00 0.00 O ATOM 1953 CB ILE A 123 9.410 -3.180 4.975 1.00 0.00 C ATOM 1954 CG1 ILE A 123 8.255 -2.240 5.372 1.00 0.00 C ATOM 1955 CG2 ILE A 123 9.325 -4.434 5.840 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.963 -2.567 4.631 1.00 0.00 C ATOM 0 H ILE A 123 10.092 -1.779 3.211 1.00 0.00 H new ATOM 0 HA ILE A 123 10.840 -1.903 6.028 1.00 0.00 H new ATOM 0 HB ILE A 123 9.336 -3.507 3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.084 -2.312 6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.540 -1.209 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.349 -4.902 5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.106 -5.134 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.459 -4.163 6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.179 -1.878 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.124 -2.469 3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.661 -3.589 4.860 1.00 0.00 H new