USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=19 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 48 LYS NZ :NH3+ 154:sc= 0.992 (180deg=0.0954) USER MOD Set 1.2: A 97 TYR OH : rot 71:sc= 1.23 USER MOD Set 1.3: A 117 TYR OH : rot 130:sc= 1.05 USER MOD Single : A 14 THR OG1 : rot 80:sc= -0.484 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -161:sc= 1.19 USER MOD Single : A 18 MET CE :methyl 174:sc= -1.7 (180deg=-1.88) USER MOD Single : A 20 SER OG : rot 180:sc= -0.113 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= 1.17 (180deg=0.351) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.43 F(o=-1,f=-0.43) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 35 GLN : amide:sc= -0.155 X(o=-0.15,f=0.02) USER MOD Single : A 37 TYR OH : rot 93:sc= 1.24 USER MOD Single : A 38 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.41) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.039) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc=-0.00257 X(o=-0.0026,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 81:sc= 1.12 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 93 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 150:sc= 0.025 USER MOD Single : A 114 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.65) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.132 -8.211 -2.120 1.00 0.00 N ATOM 181 CA THR A 14 8.016 -8.735 -1.325 1.00 0.00 C ATOM 182 C THR A 14 7.186 -9.768 -2.102 1.00 0.00 C ATOM 183 O THR A 14 6.562 -10.654 -1.505 1.00 0.00 O ATOM 184 CB THR A 14 7.114 -7.588 -0.821 1.00 0.00 C ATOM 185 OG1 THR A 14 6.130 -8.183 -0.005 1.00 0.00 O ATOM 186 CG2 THR A 14 6.446 -6.725 -1.911 1.00 0.00 C ATOM 0 HA THR A 14 8.450 -9.245 -0.465 1.00 0.00 H new ATOM 0 HB THR A 14 7.752 -6.881 -0.291 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.505 -8.362 0.882 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.837 -5.952 -1.441 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.214 -6.257 -2.527 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.813 -7.355 -2.537 1.00 0.00 H new ATOM 194 N SER A 15 7.192 -9.649 -3.419 1.00 0.00 N ATOM 195 CA SER A 15 6.486 -10.469 -4.389 1.00 0.00 C ATOM 196 C SER A 15 4.997 -10.516 -4.033 1.00 0.00 C ATOM 197 O SER A 15 4.423 -11.561 -3.710 1.00 0.00 O ATOM 198 CB SER A 15 7.167 -11.834 -4.598 1.00 0.00 C ATOM 199 OG SER A 15 6.942 -12.313 -5.919 1.00 0.00 O ATOM 0 H SER A 15 7.736 -8.916 -3.875 1.00 0.00 H new ATOM 0 HA SER A 15 6.543 -10.013 -5.377 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.238 -11.743 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.781 -12.553 -3.875 1.00 0.00 H new ATOM 0 HG SER A 15 7.384 -13.180 -6.032 1.00 0.00 H new ATOM 205 N GLU A 16 4.376 -9.338 -3.990 1.00 0.00 N ATOM 206 CA GLU A 16 2.964 -9.173 -3.695 1.00 0.00 C ATOM 207 C GLU A 16 2.430 -7.956 -4.452 1.00 0.00 C ATOM 208 O GLU A 16 3.145 -7.319 -5.235 1.00 0.00 O ATOM 209 CB GLU A 16 2.698 -9.221 -2.173 1.00 0.00 C ATOM 210 CG GLU A 16 2.852 -7.985 -1.277 1.00 0.00 C ATOM 211 CD GLU A 16 2.811 -8.392 0.216 1.00 0.00 C ATOM 212 OE1 GLU A 16 2.199 -9.427 0.574 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.390 -7.711 1.090 1.00 0.00 O ATOM 0 H GLU A 16 4.857 -8.455 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 16 2.380 -10.015 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.675 -9.576 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.355 -9.988 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.794 -7.483 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.054 -7.273 -1.488 1.00 0.00 H new ATOM 220 N THR A 17 1.151 -7.655 -4.290 1.00 0.00 N ATOM 221 CA THR A 17 0.479 -6.536 -4.931 1.00 0.00 C ATOM 222 C THR A 17 -0.328 -5.838 -3.844 1.00 0.00 C ATOM 223 O THR A 17 -0.496 -6.350 -2.730 1.00 0.00 O ATOM 224 CB THR A 17 -0.382 -7.045 -6.118 1.00 0.00 C ATOM 225 OG1 THR A 17 -1.257 -6.056 -6.646 1.00 0.00 O ATOM 226 CG2 THR A 17 -1.256 -8.221 -5.705 1.00 0.00 C ATOM 0 H THR A 17 0.533 -8.200 -3.690 1.00 0.00 H new ATOM 0 HA THR A 17 1.176 -5.820 -5.367 1.00 0.00 H new ATOM 0 HB THR A 17 0.344 -7.332 -6.879 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.967 -6.490 -7.164 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.846 -8.553 -6.559 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.625 -9.040 -5.359 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.924 -7.913 -4.900 1.00 0.00 H new ATOM 234 N MET A 18 -0.851 -4.660 -4.174 1.00 0.00 N ATOM 235 CA MET A 18 -1.662 -3.883 -3.258 1.00 0.00 C ATOM 236 C MET A 18 -2.855 -4.719 -2.788 1.00 0.00 C ATOM 237 O MET A 18 -3.256 -4.669 -1.630 1.00 0.00 O ATOM 238 CB MET A 18 -2.179 -2.637 -3.988 1.00 0.00 C ATOM 239 CG MET A 18 -1.074 -1.591 -4.074 1.00 0.00 C ATOM 240 SD MET A 18 -1.197 -0.256 -2.848 1.00 0.00 S ATOM 241 CE MET A 18 -1.719 -1.109 -1.329 1.00 0.00 C ATOM 0 H MET A 18 -0.721 -4.222 -5.086 1.00 0.00 H new ATOM 0 HA MET A 18 -1.062 -3.592 -2.395 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.517 -2.905 -4.989 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.040 -2.227 -3.460 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.111 -2.088 -3.955 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.084 -1.152 -5.072 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.720 -0.404 -0.498 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.723 -1.512 -1.464 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.028 -1.924 -1.113 1.00 0.00 H new ATOM 251 N GLU A 19 -3.396 -5.512 -3.712 1.00 0.00 N ATOM 252 CA GLU A 19 -4.529 -6.394 -3.523 1.00 0.00 C ATOM 253 C GLU A 19 -4.255 -7.383 -2.390 1.00 0.00 C ATOM 254 O GLU A 19 -5.115 -7.570 -1.533 1.00 0.00 O ATOM 255 CB GLU A 19 -4.780 -7.157 -4.830 1.00 0.00 C ATOM 256 CG GLU A 19 -5.009 -6.262 -6.057 1.00 0.00 C ATOM 257 CD GLU A 19 -4.692 -7.039 -7.330 1.00 0.00 C ATOM 258 OE1 GLU A 19 -5.592 -7.781 -7.789 1.00 0.00 O ATOM 259 OE2 GLU A 19 -3.533 -6.947 -7.807 1.00 0.00 O ATOM 0 H GLU A 19 -3.029 -5.553 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.407 -5.805 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.928 -7.808 -5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.650 -7.801 -4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.043 -5.917 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.378 -5.375 -5.995 1.00 0.00 H new ATOM 266 N SER A 20 -3.067 -8.005 -2.387 1.00 0.00 N ATOM 267 CA SER A 20 -2.633 -8.981 -1.399 1.00 0.00 C ATOM 268 C SER A 20 -2.610 -8.363 -0.010 1.00 0.00 C ATOM 269 O SER A 20 -3.024 -9.014 0.953 1.00 0.00 O ATOM 270 CB SER A 20 -1.216 -9.461 -1.740 1.00 0.00 C ATOM 271 OG SER A 20 -1.104 -9.864 -3.091 1.00 0.00 O ATOM 0 H SER A 20 -2.362 -7.830 -3.103 1.00 0.00 H new ATOM 0 HA SER A 20 -3.333 -9.817 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.504 -8.660 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.949 -10.294 -1.090 1.00 0.00 H new ATOM 0 HG SER A 20 -0.187 -10.161 -3.269 1.00 0.00 H new ATOM 277 N LEU A 21 -2.136 -7.118 0.086 1.00 0.00 N ATOM 278 CA LEU A 21 -2.046 -6.420 1.356 1.00 0.00 C ATOM 279 C LEU A 21 -3.428 -6.270 1.950 1.00 0.00 C ATOM 280 O LEU A 21 -3.694 -6.690 3.072 1.00 0.00 O ATOM 281 CB LEU A 21 -1.472 -5.001 1.184 1.00 0.00 C ATOM 282 CG LEU A 21 -0.106 -4.858 0.516 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.451 -3.508 0.947 1.00 0.00 C ATOM 284 CD2 LEU A 21 0.896 -5.938 0.878 1.00 0.00 C ATOM 0 H LEU A 21 -1.808 -6.575 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.391 -7.006 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.189 -4.418 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.411 -4.543 2.171 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.254 -4.949 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.431 -3.357 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.224 -2.716 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.545 -3.483 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.835 -5.753 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.070 -5.927 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.504 -6.912 0.584 1.00 0.00 H new ATOM 296 N ILE A 22 -4.328 -5.691 1.169 1.00 0.00 N ATOM 297 CA ILE A 22 -5.689 -5.434 1.574 1.00 0.00 C ATOM 298 C ILE A 22 -6.377 -6.749 1.938 1.00 0.00 C ATOM 299 O ILE A 22 -7.062 -6.803 2.955 1.00 0.00 O ATOM 300 CB ILE A 22 -6.379 -4.674 0.434 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.687 -3.319 0.169 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.836 -4.458 0.826 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.144 -2.703 -1.151 1.00 0.00 C ATOM 0 H ILE A 22 -4.122 -5.383 0.219 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.738 -4.815 2.470 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.315 -5.255 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.906 -2.632 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.606 -3.459 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.351 -3.918 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.318 -5.423 0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.883 -3.878 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.636 -1.751 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.902 -3.379 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.221 -2.539 -1.122 1.00 0.00 H new ATOM 315 N ASP A 23 -6.181 -7.789 1.129 1.00 0.00 N ATOM 316 CA ASP A 23 -6.744 -9.127 1.316 1.00 0.00 C ATOM 317 C ASP A 23 -6.314 -9.734 2.659 1.00 0.00 C ATOM 318 O ASP A 23 -7.040 -10.562 3.210 1.00 0.00 O ATOM 319 CB ASP A 23 -6.327 -9.977 0.107 1.00 0.00 C ATOM 320 CG ASP A 23 -6.646 -11.462 0.216 1.00 0.00 C ATOM 321 OD1 ASP A 23 -7.778 -11.837 0.586 1.00 0.00 O ATOM 322 OD2 ASP A 23 -5.745 -12.261 -0.140 1.00 0.00 O ATOM 0 H ASP A 23 -5.603 -7.721 0.292 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.832 -9.087 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.818 -9.581 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.254 -9.863 -0.044 1.00 0.00 H new ATOM 327 N LYS A 24 -5.172 -9.320 3.228 1.00 0.00 N ATOM 328 CA LYS A 24 -4.698 -9.827 4.527 1.00 0.00 C ATOM 329 C LYS A 24 -4.985 -8.823 5.645 1.00 0.00 C ATOM 330 O LYS A 24 -4.930 -9.192 6.818 1.00 0.00 O ATOM 331 CB LYS A 24 -3.177 -10.124 4.412 1.00 0.00 C ATOM 332 CG LYS A 24 -2.218 -9.168 5.154 1.00 0.00 C ATOM 333 CD LYS A 24 -1.956 -9.586 6.621 1.00 0.00 C ATOM 334 CE LYS A 24 -2.141 -8.459 7.652 1.00 0.00 C ATOM 335 NZ LYS A 24 -1.972 -8.961 9.028 1.00 0.00 N ATOM 0 H LYS A 24 -4.553 -8.628 2.805 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.230 -10.744 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.000 -11.134 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.910 -10.119 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.269 -9.128 4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.635 -8.161 5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.626 -10.407 6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.938 -9.969 6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.419 -7.665 7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.133 -8.021 7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.102 -8.179 9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.678 -9.701 9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.017 -9.357 9.138 1.00 0.00 H new ATOM 349 N GLY A 25 -5.340 -7.585 5.319 1.00 0.00 N ATOM 350 CA GLY A 25 -5.602 -6.533 6.286 1.00 0.00 C ATOM 351 C GLY A 25 -4.355 -5.689 6.546 1.00 0.00 C ATOM 352 O GLY A 25 -4.082 -5.324 7.685 1.00 0.00 O ATOM 0 H GLY A 25 -5.455 -7.281 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.406 -5.894 5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.946 -6.974 7.222 1.00 0.00 H new ATOM 356 N LYS A 26 -3.551 -5.391 5.520 1.00 0.00 N ATOM 357 CA LYS A 26 -2.347 -4.564 5.642 1.00 0.00 C ATOM 358 C LYS A 26 -2.752 -3.143 5.242 1.00 0.00 C ATOM 359 O LYS A 26 -2.339 -2.631 4.205 1.00 0.00 O ATOM 360 CB LYS A 26 -1.181 -5.126 4.800 1.00 0.00 C ATOM 361 CG LYS A 26 -0.244 -6.052 5.572 1.00 0.00 C ATOM 362 CD LYS A 26 1.073 -6.326 4.821 1.00 0.00 C ATOM 363 CE LYS A 26 1.045 -7.675 4.109 1.00 0.00 C ATOM 364 NZ LYS A 26 2.372 -8.104 3.620 1.00 0.00 N ATOM 0 H LYS A 26 -3.721 -5.722 4.570 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.967 -4.564 6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.591 -5.669 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.603 -4.294 4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.019 -5.608 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.751 -6.997 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.249 -5.534 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.905 -6.303 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.655 -8.430 4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.355 -7.620 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.406 -9.142 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.537 -7.709 2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.108 -7.763 4.270 1.00 0.00 H new ATOM 378 N LEU A 27 -3.582 -2.500 6.063 1.00 0.00 N ATOM 379 CA LEU A 27 -4.069 -1.134 5.831 1.00 0.00 C ATOM 380 C LEU A 27 -3.075 -0.079 6.331 1.00 0.00 C ATOM 381 O LEU A 27 -3.313 1.124 6.182 1.00 0.00 O ATOM 382 CB LEU A 27 -5.469 -0.933 6.451 1.00 0.00 C ATOM 383 CG LEU A 27 -6.640 -1.653 5.749 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.528 -1.737 4.221 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.752 -3.085 6.254 1.00 0.00 C ATOM 0 H LEU A 27 -3.942 -2.917 6.921 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.158 -0.998 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.435 -1.267 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.685 0.135 6.467 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.512 -1.045 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.397 -2.260 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.485 -0.731 3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.622 -2.280 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.581 -3.584 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.826 -3.619 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.929 -3.079 7.329 1.00 0.00 H new ATOM 397 N ASP A 28 -1.935 -0.504 6.874 1.00 0.00 N ATOM 398 CA ASP A 28 -0.864 0.350 7.403 1.00 0.00 C ATOM 399 C ASP A 28 0.362 0.351 6.471 1.00 0.00 C ATOM 400 O ASP A 28 1.405 0.919 6.801 1.00 0.00 O ATOM 401 CB ASP A 28 -0.479 -0.107 8.823 1.00 0.00 C ATOM 402 CG ASP A 28 -1.475 0.377 9.876 1.00 0.00 C ATOM 403 OD1 ASP A 28 -2.502 -0.303 10.094 1.00 0.00 O ATOM 404 OD2 ASP A 28 -1.261 1.470 10.449 1.00 0.00 O ATOM 0 H ASP A 28 -1.720 -1.497 6.963 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.234 1.374 7.454 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.425 -1.195 8.850 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.515 0.268 9.066 1.00 0.00 H new ATOM 409 N GLN A 29 0.291 -0.292 5.301 1.00 0.00 N ATOM 410 CA GLN A 29 1.409 -0.367 4.355 1.00 0.00 C ATOM 411 C GLN A 29 0.888 -0.525 2.923 1.00 0.00 C ATOM 412 O GLN A 29 -0.224 -1.011 2.746 1.00 0.00 O ATOM 413 CB GLN A 29 2.350 -1.500 4.799 1.00 0.00 C ATOM 414 CG GLN A 29 1.729 -2.855 5.127 1.00 0.00 C ATOM 415 CD GLN A 29 2.603 -3.650 6.099 1.00 0.00 C ATOM 416 OE1 GLN A 29 3.890 -3.742 5.816 1.00 0.00 O flip ATOM 417 NE2 GLN A 29 2.130 -4.203 7.091 1.00 0.00 N flip ATOM 0 H GLN A 29 -0.548 -0.777 4.982 1.00 0.00 H new ATOM 0 HA GLN A 29 1.985 0.558 4.356 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.087 -1.652 4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.893 -1.158 5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.740 -2.708 5.562 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.592 -3.426 4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.134 -4.121 7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.734 -4.743 7.710 1.00 0.00 H new ATOM 426 N VAL A 30 1.678 -0.148 1.908 1.00 0.00 N ATOM 427 CA VAL A 30 1.277 -0.231 0.494 1.00 0.00 C ATOM 428 C VAL A 30 2.401 -0.768 -0.402 1.00 0.00 C ATOM 429 O VAL A 30 3.557 -0.810 0.034 1.00 0.00 O ATOM 430 CB VAL A 30 0.784 1.146 -0.004 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.293 1.766 0.898 1.00 0.00 C ATOM 432 CG2 VAL A 30 1.921 2.151 -0.170 1.00 0.00 C ATOM 0 H VAL A 30 2.618 0.225 2.044 1.00 0.00 H new ATOM 0 HA VAL A 30 0.457 -0.946 0.429 1.00 0.00 H new ATOM 0 HB VAL A 30 0.343 0.938 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.596 2.731 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.157 1.103 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.109 1.904 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.519 3.101 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.418 2.300 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.640 1.771 -0.896 1.00 0.00 H new ATOM 442 N VAL A 31 2.076 -1.159 -1.649 1.00 0.00 N ATOM 443 CA VAL A 31 3.036 -1.650 -2.621 1.00 0.00 C ATOM 444 C VAL A 31 3.009 -0.717 -3.823 1.00 0.00 C ATOM 445 O VAL A 31 1.940 -0.464 -4.376 1.00 0.00 O ATOM 446 CB VAL A 31 2.784 -3.088 -3.133 1.00 0.00 C ATOM 447 CG1 VAL A 31 3.998 -3.753 -3.739 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.221 -4.045 -2.094 1.00 0.00 C ATOM 0 H VAL A 31 1.119 -1.137 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 31 3.996 -1.675 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 31 2.034 -2.912 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.735 -4.757 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.346 -3.168 -4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.790 -3.815 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.078 -5.027 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.917 -4.126 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.264 -3.668 -1.733 1.00 0.00 H new ATOM 458 N TYR A 32 4.153 -0.184 -4.215 1.00 0.00 N ATOM 459 CA TYR A 32 4.280 0.681 -5.388 1.00 0.00 C ATOM 460 C TYR A 32 5.670 0.418 -5.924 1.00 0.00 C ATOM 461 O TYR A 32 6.619 0.272 -5.149 1.00 0.00 O ATOM 462 CB TYR A 32 3.982 2.177 -5.143 1.00 0.00 C ATOM 463 CG TYR A 32 4.723 3.147 -6.066 1.00 0.00 C ATOM 464 CD1 TYR A 32 4.393 3.188 -7.433 1.00 0.00 C ATOM 465 CD2 TYR A 32 5.803 3.930 -5.603 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.186 3.916 -8.339 1.00 0.00 C ATOM 467 CE2 TYR A 32 6.603 4.662 -6.496 1.00 0.00 C ATOM 468 CZ TYR A 32 6.314 4.629 -7.875 1.00 0.00 C ATOM 469 OH TYR A 32 7.160 5.229 -8.752 1.00 0.00 O ATOM 0 H TYR A 32 5.034 -0.338 -3.725 1.00 0.00 H new ATOM 0 HA TYR A 32 3.509 0.436 -6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.910 2.341 -5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.235 2.417 -4.110 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.524 2.656 -7.790 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.017 3.967 -4.545 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.933 3.930 -9.389 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.434 5.246 -6.128 1.00 0.00 H new ATOM 0 HH TYR A 32 7.880 5.675 -8.259 1.00 0.00 H new ATOM 479 N ASP A 33 5.764 0.358 -7.247 1.00 0.00 N ATOM 480 CA ASP A 33 6.985 0.116 -8.004 1.00 0.00 C ATOM 481 C ASP A 33 7.577 -1.234 -7.606 1.00 0.00 C ATOM 482 O ASP A 33 8.786 -1.407 -7.647 1.00 0.00 O ATOM 483 CB ASP A 33 7.959 1.287 -7.761 1.00 0.00 C ATOM 484 CG ASP A 33 8.974 1.460 -8.882 1.00 0.00 C ATOM 485 OD1 ASP A 33 8.526 1.750 -10.016 1.00 0.00 O ATOM 486 OD2 ASP A 33 10.194 1.449 -8.609 1.00 0.00 O ATOM 0 H ASP A 33 4.951 0.483 -7.850 1.00 0.00 H new ATOM 0 HA ASP A 33 6.779 0.069 -9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.389 2.209 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.488 1.123 -6.822 1.00 0.00 H new ATOM 491 N ASP A 34 6.713 -2.205 -7.274 1.00 0.00 N ATOM 492 CA ASP A 34 7.071 -3.564 -6.843 1.00 0.00 C ATOM 493 C ASP A 34 7.864 -3.552 -5.540 1.00 0.00 C ATOM 494 O ASP A 34 8.778 -4.346 -5.329 1.00 0.00 O ATOM 495 CB ASP A 34 7.833 -4.282 -7.959 1.00 0.00 C ATOM 496 CG ASP A 34 7.740 -5.801 -7.833 1.00 0.00 C ATOM 497 OD1 ASP A 34 6.617 -6.312 -7.598 1.00 0.00 O ATOM 498 OD2 ASP A 34 8.743 -6.498 -8.117 1.00 0.00 O ATOM 0 H ASP A 34 5.704 -2.058 -7.300 1.00 0.00 H new ATOM 0 HA ASP A 34 6.151 -4.114 -6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.435 -3.974 -8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.880 -3.980 -7.935 1.00 0.00 H new ATOM 503 N GLN A 35 7.547 -2.598 -4.664 1.00 0.00 N ATOM 504 CA GLN A 35 8.230 -2.439 -3.389 1.00 0.00 C ATOM 505 C GLN A 35 7.205 -2.297 -2.299 1.00 0.00 C ATOM 506 O GLN A 35 6.089 -1.878 -2.574 1.00 0.00 O ATOM 507 CB GLN A 35 9.118 -1.199 -3.370 1.00 0.00 C ATOM 508 CG GLN A 35 10.069 -0.996 -4.550 1.00 0.00 C ATOM 509 CD GLN A 35 10.902 -2.205 -4.977 1.00 0.00 C ATOM 510 OE1 GLN A 35 11.209 -2.431 -6.140 1.00 0.00 O ATOM 511 NE2 GLN A 35 11.362 -3.000 -4.034 1.00 0.00 N ATOM 0 H GLN A 35 6.807 -1.914 -4.823 1.00 0.00 H new ATOM 0 HA GLN A 35 8.857 -3.318 -3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.472 -0.323 -3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.714 -1.226 -2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.482 -0.668 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.752 -0.183 -4.301 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.118 -2.829 -3.059 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.963 -3.787 -4.279 1.00 0.00 H new ATOM 520 N LEU A 36 7.601 -2.607 -1.069 1.00 0.00 N ATOM 521 CA LEU A 36 6.743 -2.566 0.102 1.00 0.00 C ATOM 522 C LEU A 36 7.182 -1.464 1.035 1.00 0.00 C ATOM 523 O LEU A 36 8.345 -1.454 1.464 1.00 0.00 O ATOM 524 CB LEU A 36 6.823 -3.927 0.803 1.00 0.00 C ATOM 525 CG LEU A 36 5.717 -4.232 1.818 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.302 -4.107 1.248 1.00 0.00 C ATOM 527 CD2 LEU A 36 5.930 -5.673 2.270 1.00 0.00 C ATOM 0 H LEU A 36 8.554 -2.901 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 36 5.714 -2.361 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.812 -4.706 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.784 -3.993 1.313 1.00 0.00 H new ATOM 0 HG LEU A 36 5.786 -3.505 2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.575 -4.338 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.142 -3.089 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.181 -4.804 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.165 -5.943 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.863 -6.338 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.915 -5.769 2.727 1.00 0.00 H new ATOM 539 N TYR A 37 6.258 -0.562 1.349 1.00 0.00 N ATOM 540 CA TYR A 37 6.522 0.555 2.241 1.00 0.00 C ATOM 541 C TYR A 37 5.570 0.497 3.418 1.00 0.00 C ATOM 542 O TYR A 37 4.450 0.015 3.279 1.00 0.00 O ATOM 543 CB TYR A 37 6.388 1.925 1.573 1.00 0.00 C ATOM 544 CG TYR A 37 6.807 2.010 0.133 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.113 1.669 -0.259 1.00 0.00 C ATOM 546 CD2 TYR A 37 5.883 2.490 -0.806 1.00 0.00 C ATOM 547 CE1 TYR A 37 8.489 1.762 -1.609 1.00 0.00 C ATOM 548 CE2 TYR A 37 6.261 2.584 -2.148 1.00 0.00 C ATOM 549 CZ TYR A 37 7.550 2.191 -2.566 1.00 0.00 C ATOM 550 OH TYR A 37 7.904 2.259 -3.876 1.00 0.00 O ATOM 0 H TYR A 37 5.304 -0.587 0.990 1.00 0.00 H new ATOM 0 HA TYR A 37 7.560 0.452 2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.347 2.240 1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.978 2.642 2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.828 1.335 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.891 2.784 -0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.494 1.506 -1.911 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.557 2.962 -2.875 1.00 0.00 H new ATOM 0 HH TYR A 37 7.671 1.418 -4.322 1.00 0.00 H new ATOM 560 N HIS A 38 6.007 1.006 4.561 1.00 0.00 N ATOM 561 CA HIS A 38 5.273 1.056 5.807 1.00 0.00 C ATOM 562 C HIS A 38 4.884 2.489 6.066 1.00 0.00 C ATOM 563 O HIS A 38 5.741 3.357 5.951 1.00 0.00 O ATOM 564 CB HIS A 38 6.187 0.571 6.941 1.00 0.00 C ATOM 565 CG HIS A 38 5.566 -0.531 7.771 1.00 0.00 C ATOM 566 ND1 HIS A 38 6.232 -1.495 8.499 1.00 0.00 N ATOM 567 CD2 HIS A 38 4.223 -0.714 7.988 1.00 0.00 C ATOM 568 CE1 HIS A 38 5.308 -2.244 9.121 1.00 0.00 C ATOM 569 NE2 HIS A 38 4.070 -1.824 8.818 1.00 0.00 N ATOM 0 H HIS A 38 6.937 1.417 4.643 1.00 0.00 H new ATOM 0 HA HIS A 38 4.386 0.425 5.755 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.125 0.214 6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.431 1.413 7.589 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.426 -0.106 7.587 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.531 -3.073 9.777 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.191 -2.235 9.133 1.00 0.00 H new ATOM 577 N LEU A 39 3.616 2.767 6.345 1.00 0.00 N ATOM 578 CA LEU A 39 3.193 4.136 6.621 1.00 0.00 C ATOM 579 C LEU A 39 3.734 4.505 7.996 1.00 0.00 C ATOM 580 O LEU A 39 3.797 3.651 8.885 1.00 0.00 O ATOM 581 CB LEU A 39 1.662 4.257 6.575 1.00 0.00 C ATOM 582 CG LEU A 39 1.107 3.849 5.203 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.376 3.545 5.222 1.00 0.00 C ATOM 584 CD2 LEU A 39 1.350 4.925 4.134 1.00 0.00 C ATOM 0 H LEU A 39 2.870 2.072 6.386 1.00 0.00 H new ATOM 0 HA LEU A 39 3.581 4.818 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.223 3.627 7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.370 5.284 6.796 1.00 0.00 H new ATOM 0 HG LEU A 39 1.653 2.940 4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.703 3.264 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.570 2.723 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.924 4.429 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.940 4.590 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.862 5.852 4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.421 5.097 4.028 1.00 0.00 H new ATOM 596 N LYS A 40 4.102 5.768 8.183 1.00 0.00 N ATOM 597 CA LYS A 40 4.640 6.272 9.439 1.00 0.00 C ATOM 598 C LYS A 40 3.699 7.325 9.958 1.00 0.00 C ATOM 599 O LYS A 40 3.024 7.114 10.964 1.00 0.00 O ATOM 600 CB LYS A 40 6.085 6.794 9.256 1.00 0.00 C ATOM 601 CG LYS A 40 7.032 5.757 8.641 1.00 0.00 C ATOM 602 CD LYS A 40 7.154 4.468 9.469 1.00 0.00 C ATOM 603 CE LYS A 40 8.402 4.465 10.348 1.00 0.00 C ATOM 604 NZ LYS A 40 8.518 3.182 11.064 1.00 0.00 N ATOM 0 H LYS A 40 4.033 6.479 7.455 1.00 0.00 H new ATOM 0 HA LYS A 40 4.711 5.471 10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.066 7.680 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.477 7.104 10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.681 5.504 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.021 6.202 8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.269 4.356 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.181 3.609 8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.288 4.629 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.354 5.286 11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.371 3.192 11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.680 3.042 11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.585 2.405 10.376 1.00 0.00 H new ATOM 618 N GLU A 41 3.632 8.446 9.256 1.00 0.00 N ATOM 619 CA GLU A 41 2.756 9.550 9.664 1.00 0.00 C ATOM 620 C GLU A 41 2.260 10.374 8.481 1.00 0.00 C ATOM 621 O GLU A 41 2.729 10.210 7.358 1.00 0.00 O ATOM 622 CB GLU A 41 3.488 10.427 10.692 1.00 0.00 C ATOM 623 CG GLU A 41 4.620 11.249 10.064 1.00 0.00 C ATOM 624 CD GLU A 41 5.661 11.688 11.094 1.00 0.00 C ATOM 625 OE1 GLU A 41 5.330 12.069 12.243 1.00 0.00 O ATOM 626 OE2 GLU A 41 6.864 11.710 10.747 1.00 0.00 O ATOM 0 H GLU A 41 4.167 8.621 8.406 1.00 0.00 H new ATOM 0 HA GLU A 41 1.865 9.123 10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.773 11.101 11.164 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.897 9.794 11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.107 10.658 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.200 12.129 9.578 1.00 0.00 H new ATOM 633 N LYS A 42 1.287 11.244 8.733 1.00 0.00 N ATOM 634 CA LYS A 42 0.668 12.137 7.759 1.00 0.00 C ATOM 635 C LYS A 42 1.587 13.343 7.583 1.00 0.00 C ATOM 636 O LYS A 42 2.272 13.751 8.525 1.00 0.00 O ATOM 637 CB LYS A 42 -0.747 12.528 8.254 1.00 0.00 C ATOM 638 CG LYS A 42 -1.742 12.889 7.132 1.00 0.00 C ATOM 639 CD LYS A 42 -1.651 14.334 6.620 1.00 0.00 C ATOM 640 CE LYS A 42 -2.662 15.264 7.286 1.00 0.00 C ATOM 641 NZ LYS A 42 -2.474 16.660 6.847 1.00 0.00 N ATOM 0 H LYS A 42 0.890 11.351 9.666 1.00 0.00 H new ATOM 0 HA LYS A 42 0.542 11.658 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.157 11.700 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.659 13.378 8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.581 12.212 6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.754 12.712 7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.645 14.714 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.811 14.343 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.674 14.938 7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.557 15.204 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.175 17.269 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.516 16.977 7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.598 16.719 5.816 1.00 0.00 H new ATOM 655 N VAL A 43 1.628 13.924 6.390 1.00 0.00 N ATOM 656 CA VAL A 43 2.440 15.086 6.066 1.00 0.00 C ATOM 657 C VAL A 43 1.619 16.070 5.219 1.00 0.00 C ATOM 658 O VAL A 43 0.544 15.739 4.720 1.00 0.00 O ATOM 659 CB VAL A 43 3.740 14.625 5.380 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.561 13.661 6.248 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.471 13.951 4.033 1.00 0.00 C ATOM 0 H VAL A 43 1.080 13.588 5.599 1.00 0.00 H new ATOM 0 HA VAL A 43 2.731 15.621 6.970 1.00 0.00 H new ATOM 0 HB VAL A 43 4.315 15.538 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.465 13.370 5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.834 14.154 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.968 12.773 6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.416 13.642 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.838 13.077 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.967 14.653 3.369 1.00 0.00 H new ATOM 671 N ASP A 44 2.113 17.302 5.088 1.00 0.00 N ATOM 672 CA ASP A 44 1.477 18.370 4.312 1.00 0.00 C ATOM 673 C ASP A 44 1.914 18.273 2.846 1.00 0.00 C ATOM 674 O ASP A 44 2.860 17.550 2.513 1.00 0.00 O ATOM 675 CB ASP A 44 1.931 19.719 4.902 1.00 0.00 C ATOM 676 CG ASP A 44 1.025 20.917 4.627 1.00 0.00 C ATOM 677 OD1 ASP A 44 0.004 20.746 3.930 1.00 0.00 O ATOM 678 OD2 ASP A 44 1.360 22.004 5.160 1.00 0.00 O ATOM 0 H ASP A 44 2.986 17.593 5.528 1.00 0.00 H new ATOM 0 HA ASP A 44 0.392 18.281 4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.029 19.605 5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.924 19.945 4.514 1.00 0.00 H new ATOM 683 N GLU A 45 1.238 18.960 1.933 1.00 0.00 N ATOM 684 CA GLU A 45 1.598 18.974 0.508 1.00 0.00 C ATOM 685 C GLU A 45 2.867 19.788 0.287 1.00 0.00 C ATOM 686 O GLU A 45 3.469 19.680 -0.770 1.00 0.00 O ATOM 687 CB GLU A 45 0.432 19.450 -0.363 1.00 0.00 C ATOM 688 CG GLU A 45 0.022 20.905 -0.123 1.00 0.00 C ATOM 689 CD GLU A 45 -1.146 21.272 -1.028 1.00 0.00 C ATOM 690 OE1 GLU A 45 -0.949 21.313 -2.262 1.00 0.00 O ATOM 691 OE2 GLU A 45 -2.259 21.538 -0.518 1.00 0.00 O ATOM 0 H GLU A 45 0.420 19.528 2.155 1.00 0.00 H new ATOM 0 HA GLU A 45 1.810 17.952 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.704 19.329 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.429 18.807 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.258 21.045 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.866 21.566 -0.318 1.00 0.00 H new ATOM 698 N ASP A 46 3.316 20.549 1.284 1.00 0.00 N ATOM 699 CA ASP A 46 4.521 21.364 1.196 1.00 0.00 C ATOM 700 C ASP A 46 5.740 20.506 1.558 1.00 0.00 C ATOM 701 O ASP A 46 6.874 20.990 1.570 1.00 0.00 O ATOM 702 CB ASP A 46 4.414 22.563 2.156 1.00 0.00 C ATOM 703 CG ASP A 46 3.425 23.644 1.719 1.00 0.00 C ATOM 704 OD1 ASP A 46 2.683 23.477 0.729 1.00 0.00 O ATOM 705 OD2 ASP A 46 3.360 24.689 2.405 1.00 0.00 O ATOM 0 H ASP A 46 2.845 20.616 2.186 1.00 0.00 H new ATOM 0 HA ASP A 46 4.633 21.740 0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.121 22.198 3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.400 23.014 2.264 1.00 0.00 H new ATOM 710 N LYS A 47 5.527 19.236 1.918 1.00 0.00 N ATOM 711 CA LYS A 47 6.583 18.302 2.301 1.00 0.00 C ATOM 712 C LYS A 47 7.036 17.455 1.119 1.00 0.00 C ATOM 713 O LYS A 47 8.137 16.901 1.161 1.00 0.00 O ATOM 714 CB LYS A 47 6.122 17.418 3.468 1.00 0.00 C ATOM 715 CG LYS A 47 5.404 18.192 4.576 1.00 0.00 C ATOM 716 CD LYS A 47 6.111 19.475 5.037 1.00 0.00 C ATOM 717 CE LYS A 47 5.919 19.770 6.522 1.00 0.00 C ATOM 718 NZ LYS A 47 6.680 18.843 7.383 1.00 0.00 N ATOM 0 H LYS A 47 4.595 18.823 1.951 1.00 0.00 H new ATOM 0 HA LYS A 47 7.443 18.886 2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.456 16.645 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.988 16.911 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.404 18.452 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.281 17.534 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.177 19.390 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.736 20.317 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.231 20.793 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.859 19.704 6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.670 19.192 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.245 17.899 7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.662 18.784 7.047 1.00 0.00 H new ATOM 732 N LYS A 48 6.207 17.370 0.074 1.00 0.00 N ATOM 733 CA LYS A 48 6.526 16.613 -1.116 1.00 0.00 C ATOM 734 C LYS A 48 7.818 17.136 -1.744 1.00 0.00 C ATOM 735 O LYS A 48 7.925 18.321 -2.051 1.00 0.00 O ATOM 736 CB LYS A 48 5.338 16.523 -2.070 1.00 0.00 C ATOM 737 CG LYS A 48 5.098 17.801 -2.857 1.00 0.00 C ATOM 738 CD LYS A 48 3.834 17.695 -3.690 1.00 0.00 C ATOM 739 CE LYS A 48 2.495 17.602 -2.970 1.00 0.00 C ATOM 740 NZ LYS A 48 1.364 17.580 -3.928 1.00 0.00 N ATOM 0 H LYS A 48 5.297 17.829 0.040 1.00 0.00 H new ATOM 0 HA LYS A 48 6.724 15.577 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.503 15.701 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.441 16.282 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.017 18.645 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.951 17.998 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.797 18.563 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.930 16.816 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.472 16.701 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.384 18.450 -2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.553 17.093 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.094 18.555 -4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.650 17.076 -4.792 1.00 0.00 H new ATOM 754 N GLY A 49 8.790 16.252 -1.939 1.00 0.00 N ATOM 755 CA GLY A 49 10.065 16.604 -2.543 1.00 0.00 C ATOM 756 C GLY A 49 9.912 16.642 -4.054 1.00 0.00 C ATOM 757 O GLY A 49 10.342 17.590 -4.708 1.00 0.00 O ATOM 0 H GLY A 49 8.713 15.268 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.399 17.574 -2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.827 15.877 -2.261 1.00 0.00 H new ATOM 761 N LYS A 50 9.260 15.621 -4.621 1.00 0.00 N ATOM 762 CA LYS A 50 9.026 15.457 -6.055 1.00 0.00 C ATOM 763 C LYS A 50 8.153 14.233 -6.298 1.00 0.00 C ATOM 764 O LYS A 50 8.165 13.316 -5.480 1.00 0.00 O ATOM 765 CB LYS A 50 10.387 15.252 -6.757 1.00 0.00 C ATOM 766 CG LYS A 50 11.293 14.168 -6.121 1.00 0.00 C ATOM 767 CD LYS A 50 12.773 14.315 -6.498 1.00 0.00 C ATOM 768 CE LYS A 50 13.001 14.401 -8.009 1.00 0.00 C ATOM 769 NZ LYS A 50 14.439 14.492 -8.330 1.00 0.00 N ATOM 0 H LYS A 50 8.867 14.858 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 50 8.524 16.341 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.206 14.988 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.925 16.200 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.195 14.214 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.942 13.184 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.175 15.210 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.329 13.466 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.573 13.524 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.481 15.272 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.562 14.549 -9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.841 15.342 -7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.929 13.649 -7.969 1.00 0.00 H new ATOM 783 N VAL A 51 7.357 14.210 -7.366 1.00 0.00 N ATOM 784 CA VAL A 51 6.527 13.049 -7.692 1.00 0.00 C ATOM 785 C VAL A 51 7.470 12.009 -8.307 1.00 0.00 C ATOM 786 O VAL A 51 8.450 12.364 -8.969 1.00 0.00 O ATOM 787 CB VAL A 51 5.397 13.463 -8.659 1.00 0.00 C ATOM 788 CG1 VAL A 51 4.787 12.311 -9.468 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.242 14.127 -7.905 1.00 0.00 C ATOM 0 H VAL A 51 7.269 14.985 -8.023 1.00 0.00 H new ATOM 0 HA VAL A 51 6.035 12.631 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 51 5.888 14.147 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.003 12.698 -10.118 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.562 11.842 -10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.362 11.573 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.461 14.408 -8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.836 13.429 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.606 15.018 -7.393 1.00 0.00 H new ATOM 799 N ILE A 52 7.163 10.728 -8.101 1.00 0.00 N ATOM 800 CA ILE A 52 7.945 9.610 -8.636 1.00 0.00 C ATOM 801 C ILE A 52 7.038 8.589 -9.326 1.00 0.00 C ATOM 802 O ILE A 52 7.445 7.959 -10.305 1.00 0.00 O ATOM 803 CB ILE A 52 8.836 8.971 -7.550 1.00 0.00 C ATOM 804 CG1 ILE A 52 8.027 8.536 -6.305 1.00 0.00 C ATOM 805 CG2 ILE A 52 9.968 9.952 -7.193 1.00 0.00 C ATOM 806 CD1 ILE A 52 8.816 7.625 -5.365 1.00 0.00 C ATOM 0 H ILE A 52 6.356 10.433 -7.552 1.00 0.00 H new ATOM 0 HA ILE A 52 8.621 10.002 -9.396 1.00 0.00 H new ATOM 0 HB ILE A 52 9.271 8.054 -7.947 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.708 9.423 -5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.124 8.019 -6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.604 9.510 -6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.563 10.160 -8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.539 10.881 -6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.193 7.355 -4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.112 6.721 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.706 8.148 -5.014 1.00 0.00 H new ATOM 818 N GLY A 53 5.779 8.481 -8.903 1.00 0.00 N ATOM 819 CA GLY A 53 4.816 7.551 -9.481 1.00 0.00 C ATOM 820 C GLY A 53 3.489 7.685 -8.766 1.00 0.00 C ATOM 821 O GLY A 53 3.371 8.566 -7.920 1.00 0.00 O ATOM 0 H GLY A 53 5.398 9.043 -8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.690 7.756 -10.544 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.185 6.529 -9.395 1.00 0.00 H new ATOM 825 N ALA A 54 2.492 6.856 -9.076 1.00 0.00 N ATOM 826 CA ALA A 54 1.176 6.920 -8.461 1.00 0.00 C ATOM 827 C ALA A 54 0.542 5.551 -8.262 1.00 0.00 C ATOM 828 O ALA A 54 0.660 4.683 -9.121 1.00 0.00 O ATOM 829 CB ALA A 54 0.233 7.711 -9.384 1.00 0.00 C ATOM 0 H ALA A 54 2.582 6.114 -9.770 1.00 0.00 H new ATOM 0 HA ALA A 54 1.312 7.389 -7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.757 7.765 -8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.623 8.719 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.164 7.210 -10.350 1.00 0.00 H new ATOM 835 N ILE A 55 -0.081 5.344 -7.091 1.00 0.00 N ATOM 836 CA ILE A 55 -0.776 4.093 -6.826 1.00 0.00 C ATOM 837 C ILE A 55 -2.123 4.250 -7.543 1.00 0.00 C ATOM 838 O ILE A 55 -2.459 3.458 -8.425 1.00 0.00 O ATOM 839 CB ILE A 55 -0.909 3.867 -5.305 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.464 3.568 -4.683 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.863 2.712 -5.016 1.00 0.00 C ATOM 842 CD1 ILE A 55 0.439 3.694 -3.161 1.00 0.00 C ATOM 0 H ILE A 55 -0.113 6.021 -6.329 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.249 3.211 -7.190 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.310 4.779 -4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.776 2.561 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.205 4.255 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.944 2.568 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.846 2.941 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.481 1.801 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.429 3.475 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.153 4.709 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.283 2.989 -2.749 1.00 0.00 H new ATOM 854 N GLY A 56 -2.875 5.286 -7.170 1.00 0.00 N ATOM 855 CA GLY A 56 -4.177 5.688 -7.700 1.00 0.00 C ATOM 856 C GLY A 56 -5.306 4.652 -7.692 1.00 0.00 C ATOM 857 O GLY A 56 -6.410 4.979 -8.129 1.00 0.00 O ATOM 0 H GLY A 56 -2.564 5.916 -6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.515 6.555 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.032 6.016 -8.729 1.00 0.00 H new ATOM 861 N GLN A 57 -5.093 3.436 -7.185 1.00 0.00 N ATOM 862 CA GLN A 57 -6.091 2.374 -7.178 1.00 0.00 C ATOM 863 C GLN A 57 -7.252 2.619 -6.214 1.00 0.00 C ATOM 864 O GLN A 57 -7.261 3.572 -5.428 1.00 0.00 O ATOM 865 CB GLN A 57 -5.408 1.024 -6.882 1.00 0.00 C ATOM 866 CG GLN A 57 -4.196 0.754 -7.788 1.00 0.00 C ATOM 867 CD GLN A 57 -3.921 -0.738 -7.951 1.00 0.00 C ATOM 868 OE1 GLN A 57 -4.662 -1.454 -8.617 1.00 0.00 O ATOM 869 NE2 GLN A 57 -2.849 -1.257 -7.378 1.00 0.00 N ATOM 0 H GLN A 57 -4.207 3.161 -6.762 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.539 2.358 -8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.087 1.006 -5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.134 0.221 -7.006 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.370 1.199 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.315 1.241 -7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.230 -0.665 -6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.640 -2.249 -7.490 1.00 0.00 H new ATOM 878 N THR A 58 -8.261 1.752 -6.289 1.00 0.00 N ATOM 879 CA THR A 58 -9.436 1.782 -5.439 1.00 0.00 C ATOM 880 C THR A 58 -9.824 0.329 -5.184 1.00 0.00 C ATOM 881 O THR A 58 -9.857 -0.470 -6.123 1.00 0.00 O ATOM 882 CB THR A 58 -10.612 2.575 -6.035 1.00 0.00 C ATOM 883 OG1 THR A 58 -10.185 3.780 -6.643 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.601 2.944 -4.919 1.00 0.00 C ATOM 0 H THR A 58 -8.277 0.989 -6.966 1.00 0.00 H new ATOM 0 HA THR A 58 -9.197 2.307 -4.514 1.00 0.00 H new ATOM 0 HB THR A 58 -11.077 1.940 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.960 4.254 -7.011 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.434 3.506 -5.342 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.977 2.034 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.095 3.554 -4.171 1.00 0.00 H new ATOM 892 N PHE A 59 -10.089 -0.011 -3.925 1.00 0.00 N ATOM 893 CA PHE A 59 -10.484 -1.344 -3.488 1.00 0.00 C ATOM 894 C PHE A 59 -11.446 -1.197 -2.309 1.00 0.00 C ATOM 895 O PHE A 59 -11.579 -0.100 -1.755 1.00 0.00 O ATOM 896 CB PHE A 59 -9.238 -2.127 -3.050 1.00 0.00 C ATOM 897 CG PHE A 59 -8.235 -2.414 -4.151 1.00 0.00 C ATOM 898 CD1 PHE A 59 -8.544 -3.363 -5.139 1.00 0.00 C ATOM 899 CD2 PHE A 59 -6.997 -1.743 -4.193 1.00 0.00 C ATOM 900 CE1 PHE A 59 -7.627 -3.641 -6.166 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.069 -2.038 -5.206 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.386 -2.982 -6.198 1.00 0.00 C ATOM 0 H PHE A 59 -10.032 0.657 -3.157 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.971 -1.882 -4.301 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.736 -1.568 -2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.558 -3.074 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.491 -3.881 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.761 -1.000 -3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.876 -4.361 -6.931 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.111 -1.539 -5.222 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.677 -3.200 -6.983 1.00 0.00 H new ATOM 912 N PHE A 60 -12.089 -2.292 -1.891 1.00 0.00 N ATOM 913 CA PHE A 60 -13.027 -2.288 -0.776 1.00 0.00 C ATOM 914 C PHE A 60 -12.903 -3.573 0.040 1.00 0.00 C ATOM 915 O PHE A 60 -12.554 -4.620 -0.515 1.00 0.00 O ATOM 916 CB PHE A 60 -14.462 -2.216 -1.311 1.00 0.00 C ATOM 917 CG PHE A 60 -14.794 -1.001 -2.151 1.00 0.00 C ATOM 918 CD1 PHE A 60 -14.465 -0.985 -3.520 1.00 0.00 C ATOM 919 CD2 PHE A 60 -15.460 0.101 -1.581 1.00 0.00 C ATOM 920 CE1 PHE A 60 -14.748 0.144 -4.301 1.00 0.00 C ATOM 921 CE2 PHE A 60 -15.797 1.206 -2.380 1.00 0.00 C ATOM 922 CZ PHE A 60 -15.411 1.245 -3.730 1.00 0.00 C ATOM 0 H PHE A 60 -11.969 -3.208 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.799 -1.426 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.652 -3.109 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.147 -2.246 -0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.993 -1.846 -3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.711 0.097 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.457 0.168 -5.341 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.354 2.028 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.623 2.119 -4.328 1.00 0.00 H new ATOM 932 N VAL A 61 -13.214 -3.509 1.338 1.00 0.00 N ATOM 933 CA VAL A 61 -13.187 -4.663 2.231 1.00 0.00 C ATOM 934 C VAL A 61 -14.430 -4.623 3.118 1.00 0.00 C ATOM 935 O VAL A 61 -15.091 -3.585 3.232 1.00 0.00 O ATOM 936 CB VAL A 61 -11.884 -4.814 3.030 1.00 0.00 C ATOM 937 CG1 VAL A 61 -10.692 -5.096 2.121 1.00 0.00 C ATOM 938 CG2 VAL A 61 -11.585 -3.583 3.865 1.00 0.00 C ATOM 0 H VAL A 61 -13.494 -2.644 1.800 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.207 -5.564 1.618 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.037 -5.665 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.790 -5.196 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.865 -6.021 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.568 -4.273 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.655 -3.733 4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.486 -2.716 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.399 -3.415 4.570 1.00 0.00 H new ATOM 948 N ASP A 62 -14.780 -5.758 3.713 1.00 0.00 N ATOM 949 CA ASP A 62 -15.935 -5.920 4.589 1.00 0.00 C ATOM 950 C ASP A 62 -15.556 -5.855 6.066 1.00 0.00 C ATOM 951 O ASP A 62 -14.437 -5.509 6.453 1.00 0.00 O ATOM 952 CB ASP A 62 -16.686 -7.234 4.268 1.00 0.00 C ATOM 953 CG ASP A 62 -15.924 -8.512 4.622 1.00 0.00 C ATOM 954 OD1 ASP A 62 -14.821 -8.418 5.203 1.00 0.00 O ATOM 955 OD2 ASP A 62 -16.471 -9.592 4.312 1.00 0.00 O ATOM 0 H ASP A 62 -14.249 -6.621 3.595 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.604 -5.081 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.635 -7.234 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.921 -7.251 3.204 1.00 0.00 H new ATOM 960 N GLY A 63 -16.539 -6.180 6.902 1.00 0.00 N ATOM 961 CA GLY A 63 -16.458 -6.210 8.345 1.00 0.00 C ATOM 962 C GLY A 63 -15.525 -7.275 8.885 1.00 0.00 C ATOM 963 O GLY A 63 -15.279 -7.246 10.088 1.00 0.00 O ATOM 0 H GLY A 63 -17.464 -6.443 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.125 -5.235 8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -17.456 -6.374 8.752 1.00 0.00 H new ATOM 967 N ASP A 64 -15.053 -8.207 8.063 1.00 0.00 N ATOM 968 CA ASP A 64 -14.126 -9.259 8.458 1.00 0.00 C ATOM 969 C ASP A 64 -12.721 -8.888 7.959 1.00 0.00 C ATOM 970 O ASP A 64 -11.714 -9.341 8.506 1.00 0.00 O ATOM 971 CB ASP A 64 -14.586 -10.606 7.888 1.00 0.00 C ATOM 972 CG ASP A 64 -13.794 -11.751 8.510 1.00 0.00 C ATOM 973 OD1 ASP A 64 -13.956 -11.985 9.728 1.00 0.00 O ATOM 974 OD2 ASP A 64 -12.990 -12.397 7.805 1.00 0.00 O ATOM 0 H ASP A 64 -15.312 -8.252 7.078 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.101 -9.354 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.650 -10.745 8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.456 -10.612 6.806 1.00 0.00 H new ATOM 979 N GLY A 65 -12.639 -7.971 6.985 1.00 0.00 N ATOM 980 CA GLY A 65 -11.424 -7.477 6.365 1.00 0.00 C ATOM 981 C GLY A 65 -11.113 -8.238 5.082 1.00 0.00 C ATOM 982 O GLY A 65 -9.938 -8.393 4.755 1.00 0.00 O ATOM 0 H GLY A 65 -13.474 -7.535 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.531 -6.415 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.591 -7.576 7.061 1.00 0.00 H new ATOM 986 N LYS A 66 -12.122 -8.736 4.361 1.00 0.00 N ATOM 987 CA LYS A 66 -11.943 -9.500 3.130 1.00 0.00 C ATOM 988 C LYS A 66 -12.211 -8.622 1.926 1.00 0.00 C ATOM 989 O LYS A 66 -13.084 -7.757 1.977 1.00 0.00 O ATOM 990 CB LYS A 66 -12.921 -10.674 3.107 1.00 0.00 C ATOM 991 CG LYS A 66 -12.659 -11.662 4.252 1.00 0.00 C ATOM 992 CD LYS A 66 -13.529 -12.903 4.074 1.00 0.00 C ATOM 993 CE LYS A 66 -12.933 -13.818 3.000 1.00 0.00 C ATOM 994 NZ LYS A 66 -13.848 -14.904 2.610 1.00 0.00 N ATOM 0 H LYS A 66 -13.100 -8.616 4.623 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.917 -9.866 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.941 -10.298 3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.840 -11.195 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.606 -11.944 4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.876 -11.189 5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.605 -13.441 5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.540 -12.610 3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.683 -13.225 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.002 -14.248 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.397 -15.493 1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.067 -15.489 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.727 -14.498 2.231 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.459 -8.828 0.846 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.590 -8.091 -0.400 1.00 0.00 C ATOM 1010 C ARG A 67 -12.929 -8.394 -1.047 1.00 0.00 C ATOM 1011 O ARG A 67 -13.307 -9.561 -1.153 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.464 -8.526 -1.354 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.221 -7.635 -1.250 1.00 0.00 C ATOM 1014 CD ARG A 67 -9.389 -6.251 -1.898 1.00 0.00 C ATOM 1015 NE ARG A 67 -9.910 -6.293 -3.274 1.00 0.00 N ATOM 1016 CZ ARG A 67 -9.321 -6.777 -4.381 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -8.222 -7.515 -4.302 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -9.826 -6.503 -5.576 1.00 0.00 N ATOM 0 H ARG A 67 -10.722 -9.533 0.818 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.525 -7.022 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.186 -9.557 -1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.835 -8.507 -2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.967 -7.504 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.380 -8.145 -1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.062 -5.653 -1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.425 -5.743 -1.901 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.843 -5.902 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.812 -7.723 -3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.787 -7.875 -5.152 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.662 -5.924 -5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.378 -6.871 -6.415 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.635 -7.344 -1.453 1.00 0.00 N ATOM 1033 CA TRP A 68 -14.912 -7.483 -2.137 1.00 0.00 C ATOM 1034 C TRP A 68 -14.582 -7.742 -3.606 1.00 0.00 C ATOM 1035 O TRP A 68 -13.764 -7.010 -4.178 1.00 0.00 O ATOM 1036 CB TRP A 68 -15.715 -6.185 -2.055 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.537 -5.981 -0.823 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.085 -5.776 0.433 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -17.987 -6.046 -0.713 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.159 -5.618 1.287 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.352 -5.866 0.651 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.028 -6.274 -1.635 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -19.680 -5.961 1.090 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.367 -6.345 -1.218 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -20.686 -6.209 0.143 1.00 0.00 C ATOM 0 H TRP A 68 -13.338 -6.378 -1.317 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.498 -8.283 -1.685 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.021 -5.349 -2.143 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.379 -6.140 -2.918 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.046 -5.741 0.724 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.077 -5.350 2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -18.792 -6.396 -2.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -19.924 -5.846 2.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.151 -6.504 -1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -21.714 -6.296 0.464 1.00 0.00 H new ATOM 1056 N SER A 69 -15.185 -8.766 -4.204 1.00 0.00 N ATOM 1057 CA SER A 69 -14.964 -9.096 -5.607 1.00 0.00 C ATOM 1058 C SER A 69 -15.775 -8.125 -6.467 1.00 0.00 C ATOM 1059 O SER A 69 -16.803 -7.623 -6.014 1.00 0.00 O ATOM 1060 CB SER A 69 -15.373 -10.546 -5.887 1.00 0.00 C ATOM 1061 OG SER A 69 -15.005 -11.396 -4.821 1.00 0.00 O ATOM 0 H SER A 69 -15.839 -9.389 -3.730 1.00 0.00 H new ATOM 0 HA SER A 69 -13.906 -9.001 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 69 -16.451 -10.599 -6.042 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.901 -10.888 -6.808 1.00 0.00 H new ATOM 0 HG SER A 69 -15.671 -11.330 -4.105 1.00 0.00 H new ATOM 1067 N GLU A 70 -15.380 -7.900 -7.723 1.00 0.00 N ATOM 1068 CA GLU A 70 -16.091 -6.981 -8.616 1.00 0.00 C ATOM 1069 C GLU A 70 -17.558 -7.379 -8.767 1.00 0.00 C ATOM 1070 O GLU A 70 -18.414 -6.504 -8.826 1.00 0.00 O ATOM 1071 CB GLU A 70 -15.405 -6.913 -9.988 1.00 0.00 C ATOM 1072 CG GLU A 70 -14.100 -6.103 -9.920 1.00 0.00 C ATOM 1073 CD GLU A 70 -13.180 -6.294 -11.129 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -13.622 -6.788 -12.194 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -11.973 -5.989 -10.979 1.00 0.00 O ATOM 0 H GLU A 70 -14.566 -8.345 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.058 -5.989 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.191 -7.922 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.080 -6.458 -10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.346 -5.045 -9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.558 -6.383 -9.017 1.00 0.00 H new ATOM 1082 N GLU A 71 -17.867 -8.677 -8.795 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.243 -9.151 -8.921 1.00 0.00 C ATOM 1084 C GLU A 71 -20.083 -8.680 -7.749 1.00 0.00 C ATOM 1085 O GLU A 71 -21.168 -8.143 -7.953 1.00 0.00 O ATOM 1086 CB GLU A 71 -19.280 -10.669 -9.040 1.00 0.00 C ATOM 1087 CG GLU A 71 -18.571 -11.070 -10.324 1.00 0.00 C ATOM 1088 CD GLU A 71 -18.983 -12.460 -10.772 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -20.047 -12.568 -11.430 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -18.221 -13.416 -10.525 1.00 0.00 O ATOM 0 H GLU A 71 -17.174 -9.423 -8.731 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.668 -8.729 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.794 -11.128 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.311 -11.023 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.801 -10.350 -11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.492 -11.040 -10.171 1.00 0.00 H new ATOM 1097 N GLU A 72 -19.558 -8.834 -6.534 1.00 0.00 N ATOM 1098 CA GLU A 72 -20.246 -8.424 -5.312 1.00 0.00 C ATOM 1099 C GLU A 72 -20.541 -6.910 -5.372 1.00 0.00 C ATOM 1100 O GLU A 72 -21.515 -6.424 -4.800 1.00 0.00 O ATOM 1101 CB GLU A 72 -19.405 -8.826 -4.082 1.00 0.00 C ATOM 1102 CG GLU A 72 -19.151 -10.345 -3.978 1.00 0.00 C ATOM 1103 CD GLU A 72 -18.129 -10.723 -2.902 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -18.514 -10.990 -1.747 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -16.922 -10.839 -3.220 1.00 0.00 O ATOM 0 H GLU A 72 -18.640 -9.248 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.204 -8.935 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.447 -8.308 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.913 -8.488 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.094 -10.849 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.803 -10.714 -4.943 1.00 0.00 H new ATOM 1112 N LEU A 73 -19.684 -6.143 -6.058 1.00 0.00 N ATOM 1113 CA LEU A 73 -19.834 -4.702 -6.250 1.00 0.00 C ATOM 1114 C LEU A 73 -20.848 -4.360 -7.351 1.00 0.00 C ATOM 1115 O LEU A 73 -21.372 -3.240 -7.358 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.478 -4.040 -6.530 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.418 -4.266 -5.438 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -16.142 -3.495 -5.793 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -17.920 -3.835 -4.061 1.00 0.00 C ATOM 0 H LEU A 73 -18.848 -6.520 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.229 -4.299 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.092 -4.419 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.630 -2.968 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.206 -5.334 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.392 -3.656 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.757 -3.849 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.368 -2.431 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.142 -4.011 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.170 -2.774 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -18.807 -4.412 -3.800 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.094 -5.254 -8.312 1.00 0.00 N ATOM 1132 CA LYS A 74 -22.039 -5.049 -9.416 1.00 0.00 C ATOM 1133 C LYS A 74 -23.450 -5.478 -9.022 1.00 0.00 C ATOM 1134 O LYS A 74 -24.409 -4.959 -9.595 1.00 0.00 O ATOM 1135 CB LYS A 74 -21.563 -5.840 -10.645 1.00 0.00 C ATOM 1136 CG LYS A 74 -20.248 -5.264 -11.206 1.00 0.00 C ATOM 1137 CD LYS A 74 -19.317 -6.329 -11.799 1.00 0.00 C ATOM 1138 CE LYS A 74 -19.587 -6.658 -13.266 1.00 0.00 C ATOM 1139 NZ LYS A 74 -20.543 -7.763 -13.492 1.00 0.00 N ATOM 0 H LYS A 74 -20.631 -6.162 -8.346 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.072 -3.986 -9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -21.418 -6.886 -10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -22.332 -5.815 -11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.482 -4.528 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -19.723 -4.736 -10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.286 -5.989 -11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.409 -7.243 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.966 -5.763 -13.760 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.642 -6.911 -13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.663 -7.914 -14.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -20.178 -8.633 -13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.461 -7.520 -13.067 1.00 0.00 H new ATOM 1321 N ARG A 86 -22.795 -7.142 3.989 1.00 0.00 N ATOM 1322 CA ARG A 86 -21.938 -6.629 5.054 1.00 0.00 C ATOM 1323 C ARG A 86 -21.451 -5.224 4.722 1.00 0.00 C ATOM 1324 O ARG A 86 -21.676 -4.731 3.612 1.00 0.00 O ATOM 1325 CB ARG A 86 -20.771 -7.621 5.221 1.00 0.00 C ATOM 1326 CG ARG A 86 -20.253 -7.757 6.662 1.00 0.00 C ATOM 1327 CD ARG A 86 -19.352 -8.994 6.769 1.00 0.00 C ATOM 1328 NE ARG A 86 -18.766 -9.167 8.111 1.00 0.00 N ATOM 1329 CZ ARG A 86 -18.330 -10.334 8.617 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -18.358 -11.447 7.897 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -17.839 -10.407 9.845 1.00 0.00 N ATOM 0 HA ARG A 86 -22.486 -6.547 5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.091 -8.602 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.948 -7.305 4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.697 -6.864 6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -21.091 -7.844 7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -19.931 -9.882 6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -18.549 -8.916 6.036 1.00 0.00 H new ATOM 0 HE ARG A 86 -18.685 -8.338 8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -18.715 -11.428 6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.023 -12.323 8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.787 -9.569 10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.513 -11.301 10.212 1.00 0.00 H new ATOM 1345 N GLU A 87 -20.802 -4.569 5.689 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.237 -3.224 5.547 1.00 0.00 C ATOM 1347 C GLU A 87 -19.248 -3.202 4.376 1.00 0.00 C ATOM 1348 O GLU A 87 -18.720 -4.250 3.988 1.00 0.00 O ATOM 1349 CB GLU A 87 -19.573 -2.764 6.858 1.00 0.00 C ATOM 1350 CG GLU A 87 -18.446 -3.676 7.351 1.00 0.00 C ATOM 1351 CD GLU A 87 -18.149 -3.529 8.847 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -17.429 -2.593 9.270 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -18.539 -4.422 9.635 1.00 0.00 O ATOM 0 H GLU A 87 -20.651 -4.969 6.615 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.041 -2.520 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.175 -1.759 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.336 -2.698 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.711 -4.712 7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.540 -3.458 6.786 1.00 0.00 H new ATOM 1360 N LYS A 88 -18.943 -2.017 3.838 1.00 0.00 N ATOM 1361 CA LYS A 88 -18.039 -1.876 2.703 1.00 0.00 C ATOM 1362 C LYS A 88 -17.158 -0.642 2.863 1.00 0.00 C ATOM 1363 O LYS A 88 -17.564 0.481 2.583 1.00 0.00 O ATOM 1364 CB LYS A 88 -18.899 -1.867 1.440 1.00 0.00 C ATOM 1365 CG LYS A 88 -18.030 -1.965 0.189 1.00 0.00 C ATOM 1366 CD LYS A 88 -18.822 -2.545 -0.977 1.00 0.00 C ATOM 1367 CE LYS A 88 -20.018 -1.676 -1.372 1.00 0.00 C ATOM 1368 NZ LYS A 88 -21.220 -2.488 -1.665 1.00 0.00 N ATOM 0 H LYS A 88 -19.318 -1.132 4.180 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.338 -2.708 2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.600 -2.701 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.492 -0.953 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.654 -0.977 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.162 -2.592 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.162 -2.660 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -19.175 -3.541 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -20.240 -0.977 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.760 -1.081 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -22.007 -1.861 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -21.017 -3.138 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -21.482 -3.037 -0.821 1.00 0.00 H new ATOM 1382 N LYS A 89 -15.934 -0.869 3.328 1.00 0.00 N ATOM 1383 CA LYS A 89 -14.885 0.096 3.613 1.00 0.00 C ATOM 1384 C LYS A 89 -14.128 0.479 2.335 1.00 0.00 C ATOM 1385 O LYS A 89 -13.382 -0.361 1.829 1.00 0.00 O ATOM 1386 CB LYS A 89 -13.924 -0.521 4.653 1.00 0.00 C ATOM 1387 CG LYS A 89 -14.660 -1.216 5.811 1.00 0.00 C ATOM 1388 CD LYS A 89 -13.712 -1.773 6.867 1.00 0.00 C ATOM 1389 CE LYS A 89 -14.559 -2.617 7.814 1.00 0.00 C ATOM 1390 NZ LYS A 89 -13.784 -3.054 8.985 1.00 0.00 N ATOM 0 H LYS A 89 -15.626 -1.820 3.532 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.327 1.009 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.275 -1.242 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.281 0.262 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.341 -0.506 6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.269 -2.027 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.930 -2.376 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.216 -0.966 7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.423 -2.040 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.941 -3.489 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.389 -3.625 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.973 -3.625 8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.441 -2.221 9.505 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.315 1.682 1.768 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.625 2.133 0.563 1.00 0.00 C ATOM 1406 C PRO A 90 -12.173 2.539 0.850 1.00 0.00 C ATOM 1407 O PRO A 90 -11.890 3.274 1.796 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.417 3.351 0.095 1.00 0.00 C ATOM 1409 CG PRO A 90 -14.953 3.944 1.395 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.188 2.723 2.278 1.00 0.00 C ATOM 0 HA PRO A 90 -13.577 1.338 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.785 4.060 -0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.224 3.070 -0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.238 4.633 1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.874 4.503 1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.960 2.946 3.320 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.231 2.410 2.240 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.256 2.178 -0.046 1.00 0.00 N ATOM 1419 CA LEU A 91 -9.828 2.462 0.060 1.00 0.00 C ATOM 1420 C LEU A 91 -9.402 3.177 -1.224 1.00 0.00 C ATOM 1421 O LEU A 91 -9.263 2.523 -2.256 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.059 1.130 0.245 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.586 0.173 1.337 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -8.919 -1.195 1.185 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.336 0.705 2.744 1.00 0.00 C ATOM 0 H LEU A 91 -11.496 1.663 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.608 3.098 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.065 0.598 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.019 1.366 0.471 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.664 0.088 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.292 -1.869 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.150 -1.605 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.839 -1.087 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.725 -0.004 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.265 0.835 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.839 1.664 2.865 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.267 4.512 -1.214 1.00 0.00 N ATOM 1438 CA ARG A 92 -8.859 5.302 -2.374 1.00 0.00 C ATOM 1439 C ARG A 92 -7.387 5.663 -2.242 1.00 0.00 C ATOM 1440 O ARG A 92 -7.037 6.480 -1.388 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.697 6.580 -2.458 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.074 6.309 -3.063 1.00 0.00 C ATOM 1443 CD ARG A 92 -11.840 7.627 -3.123 1.00 0.00 C ATOM 1444 NE ARG A 92 -12.891 7.611 -4.155 1.00 0.00 N ATOM 1445 CZ ARG A 92 -14.045 8.292 -4.121 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -14.379 9.042 -3.081 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -14.895 8.209 -5.134 1.00 0.00 N ATOM 0 H ARG A 92 -9.442 5.077 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.014 4.718 -3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.814 7.006 -1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.173 7.321 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.973 5.883 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.617 5.582 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.290 7.829 -2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.144 8.441 -3.327 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.725 7.026 -4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.751 9.112 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.264 9.550 -3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.672 7.626 -5.941 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.773 8.728 -5.107 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.543 5.046 -3.062 1.00 0.00 N ATOM 1462 CA TYR A 93 -5.110 5.280 -3.067 1.00 0.00 C ATOM 1463 C TYR A 93 -4.819 6.492 -3.949 1.00 0.00 C ATOM 1464 O TYR A 93 -5.508 6.755 -4.933 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.365 4.023 -3.498 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.565 2.828 -2.577 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -5.746 2.064 -2.632 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -3.594 2.519 -1.609 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -6.006 1.094 -1.643 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -3.849 1.562 -0.614 1.00 0.00 C ATOM 1471 CZ TYR A 93 -5.071 0.864 -0.606 1.00 0.00 C ATOM 1472 OH TYR A 93 -5.349 -0.020 0.393 1.00 0.00 O ATOM 0 H TYR A 93 -6.844 4.358 -3.752 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.750 5.505 -2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.688 3.750 -4.503 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.300 4.248 -3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.453 2.221 -3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.640 3.024 -1.631 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.923 0.524 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.108 1.361 0.145 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.596 -0.054 1.019 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.766 7.213 -3.601 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.210 8.419 -4.105 1.00 0.00 C ATOM 1484 C GLY A 94 -1.837 8.340 -4.759 1.00 0.00 C ATOM 1485 O GLY A 94 -1.205 7.278 -4.803 1.00 0.00 O ATOM 0 H GLY A 94 -3.199 6.887 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.907 8.832 -4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.150 9.132 -3.282 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.459 9.419 -5.448 1.00 0.00 N ATOM 1490 CA LYS A 95 -0.163 9.497 -6.113 1.00 0.00 C ATOM 1491 C LYS A 95 0.935 9.461 -5.039 1.00 0.00 C ATOM 1492 O LYS A 95 0.686 9.699 -3.855 1.00 0.00 O ATOM 1493 CB LYS A 95 -0.093 10.798 -6.926 1.00 0.00 C ATOM 1494 CG LYS A 95 1.181 10.882 -7.770 1.00 0.00 C ATOM 1495 CD LYS A 95 1.048 11.605 -9.106 1.00 0.00 C ATOM 1496 CE LYS A 95 1.042 13.123 -8.973 1.00 0.00 C ATOM 1497 NZ LYS A 95 1.154 13.763 -10.299 1.00 0.00 N ATOM 0 H LYS A 95 -2.037 10.252 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.023 8.658 -6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.964 10.865 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.135 11.651 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.950 11.383 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.535 9.869 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.871 11.308 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.126 11.286 -9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.123 13.447 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.870 13.441 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.148 14.797 -10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.042 13.469 -10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.350 13.475 -10.893 1.00 0.00 H new ATOM 1511 N VAL A 96 2.151 9.109 -5.453 1.00 0.00 N ATOM 1512 CA VAL A 96 3.296 8.984 -4.573 1.00 0.00 C ATOM 1513 C VAL A 96 4.349 10.044 -4.902 1.00 0.00 C ATOM 1514 O VAL A 96 4.584 10.427 -6.056 1.00 0.00 O ATOM 1515 CB VAL A 96 3.812 7.530 -4.647 1.00 0.00 C ATOM 1516 CG1 VAL A 96 4.972 7.281 -3.679 1.00 0.00 C ATOM 1517 CG2 VAL A 96 2.714 6.513 -4.278 1.00 0.00 C ATOM 0 H VAL A 96 2.365 8.900 -6.428 1.00 0.00 H new ATOM 0 HA VAL A 96 3.019 9.177 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 96 4.136 7.396 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.302 6.246 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.799 7.947 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.641 7.472 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.118 5.502 -4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.370 6.702 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.877 6.614 -4.969 1.00 0.00 H new ATOM 1527 N TYR A 97 5.001 10.528 -3.850 1.00 0.00 N ATOM 1528 CA TYR A 97 6.045 11.532 -3.889 1.00 0.00 C ATOM 1529 C TYR A 97 7.289 10.925 -3.226 1.00 0.00 C ATOM 1530 O TYR A 97 7.186 9.897 -2.561 1.00 0.00 O ATOM 1531 CB TYR A 97 5.531 12.823 -3.203 1.00 0.00 C ATOM 1532 CG TYR A 97 4.107 13.227 -3.548 1.00 0.00 C ATOM 1533 CD1 TYR A 97 3.015 12.733 -2.804 1.00 0.00 C ATOM 1534 CD2 TYR A 97 3.877 14.107 -4.615 1.00 0.00 C ATOM 1535 CE1 TYR A 97 1.699 13.094 -3.147 1.00 0.00 C ATOM 1536 CE2 TYR A 97 2.563 14.446 -4.993 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.468 13.907 -4.279 1.00 0.00 C ATOM 1538 OH TYR A 97 0.192 14.167 -4.666 1.00 0.00 O ATOM 0 H TYR A 97 4.801 10.211 -2.901 1.00 0.00 H new ATOM 0 HA TYR A 97 6.317 11.820 -4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.601 12.692 -2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.197 13.644 -3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.190 12.074 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.714 14.528 -5.152 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.869 12.751 -2.547 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.393 15.114 -5.824 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.230 14.769 -4.018 1.00 0.00 H new ATOM 1548 N SER A 98 8.471 11.510 -3.406 1.00 0.00 N ATOM 1549 CA SER A 98 9.725 11.032 -2.821 1.00 0.00 C ATOM 1550 C SER A 98 10.187 12.077 -1.844 1.00 0.00 C ATOM 1551 O SER A 98 10.049 13.285 -2.075 1.00 0.00 O ATOM 1552 CB SER A 98 10.754 10.713 -3.883 1.00 0.00 C ATOM 1553 OG SER A 98 11.691 9.753 -3.466 1.00 0.00 O ATOM 0 H SER A 98 8.588 12.348 -3.975 1.00 0.00 H new ATOM 0 HA SER A 98 9.573 10.089 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.246 10.353 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.278 11.628 -4.161 1.00 0.00 H new ATOM 0 HG SER A 98 12.330 9.584 -4.190 1.00 0.00 H new ATOM 1559 N THR A 99 10.551 11.581 -0.682 1.00 0.00 N ATOM 1560 CA THR A 99 11.004 12.380 0.446 1.00 0.00 C ATOM 1561 C THR A 99 12.245 13.208 0.098 1.00 0.00 C ATOM 1562 O THR A 99 12.846 13.093 -0.973 1.00 0.00 O ATOM 1563 CB THR A 99 11.199 11.482 1.692 1.00 0.00 C ATOM 1564 OG1 THR A 99 11.717 10.238 1.318 1.00 0.00 O ATOM 1565 CG2 THR A 99 9.872 11.172 2.387 1.00 0.00 C ATOM 0 H THR A 99 10.541 10.580 -0.485 1.00 0.00 H new ATOM 0 HA THR A 99 10.231 13.109 0.691 1.00 0.00 H new ATOM 0 HB THR A 99 11.867 12.031 2.355 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.266 9.880 2.046 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.055 10.540 3.256 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.403 12.102 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.211 10.653 1.693 1.00 0.00 H new ATOM 1669 N ASP A 107 14.992 5.701 0.351 1.00 0.00 N ATOM 1670 CA ASP A 107 14.527 4.675 1.283 1.00 0.00 C ATOM 1671 C ASP A 107 13.132 4.999 1.783 1.00 0.00 C ATOM 1672 O ASP A 107 12.419 4.120 2.262 1.00 0.00 O ATOM 1673 CB ASP A 107 15.384 4.504 2.547 1.00 0.00 C ATOM 1674 CG ASP A 107 16.909 4.563 2.490 1.00 0.00 C ATOM 1675 OD1 ASP A 107 17.539 4.227 1.465 1.00 0.00 O ATOM 1676 OD2 ASP A 107 17.501 4.801 3.569 1.00 0.00 O ATOM 0 HA ASP A 107 14.577 3.758 0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.063 5.270 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.120 3.540 2.981 1.00 0.00 H new ATOM 1681 N GLU A 108 12.710 6.245 1.678 1.00 0.00 N ATOM 1682 CA GLU A 108 11.406 6.684 2.113 1.00 0.00 C ATOM 1683 C GLU A 108 10.754 7.370 0.917 1.00 0.00 C ATOM 1684 O GLU A 108 11.412 7.833 -0.027 1.00 0.00 O ATOM 1685 CB GLU A 108 11.562 7.565 3.365 1.00 0.00 C ATOM 1686 CG GLU A 108 11.452 6.797 4.698 1.00 0.00 C ATOM 1687 CD GLU A 108 11.469 7.677 5.946 1.00 0.00 C ATOM 1688 OE1 GLU A 108 11.606 8.913 5.860 1.00 0.00 O ATOM 1689 OE2 GLU A 108 11.261 7.147 7.066 1.00 0.00 O ATOM 0 H GLU A 108 13.279 6.992 1.279 1.00 0.00 H new ATOM 0 HA GLU A 108 10.751 5.869 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.530 8.064 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.800 8.344 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.529 6.217 4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.276 6.086 4.761 1.00 0.00 H new ATOM 1696 N ILE A 109 9.430 7.389 0.952 1.00 0.00 N ATOM 1697 CA ILE A 109 8.543 7.981 -0.046 1.00 0.00 C ATOM 1698 C ILE A 109 7.278 8.476 0.663 1.00 0.00 C ATOM 1699 O ILE A 109 7.062 8.173 1.829 1.00 0.00 O ATOM 1700 CB ILE A 109 8.231 6.956 -1.166 1.00 0.00 C ATOM 1701 CG1 ILE A 109 7.613 5.642 -0.646 1.00 0.00 C ATOM 1702 CG2 ILE A 109 9.472 6.612 -1.986 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.100 5.679 -0.756 1.00 0.00 C ATOM 0 H ILE A 109 8.912 6.967 1.723 1.00 0.00 H new ATOM 0 HA ILE A 109 9.023 8.831 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 109 7.494 7.456 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.003 4.800 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.903 5.484 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.209 5.891 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.863 7.517 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.232 6.183 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.685 4.742 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.712 6.508 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.814 5.813 -1.799 1.00 0.00 H new ATOM 1715 N ILE A 110 6.382 9.202 -0.006 1.00 0.00 N ATOM 1716 CA ILE A 110 5.149 9.703 0.583 1.00 0.00 C ATOM 1717 C ILE A 110 3.975 9.230 -0.269 1.00 0.00 C ATOM 1718 O ILE A 110 3.824 9.647 -1.413 1.00 0.00 O ATOM 1719 CB ILE A 110 5.207 11.234 0.716 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.576 11.665 1.285 1.00 0.00 C ATOM 1721 CG2 ILE A 110 4.036 11.728 1.576 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.684 13.147 1.591 1.00 0.00 C ATOM 0 H ILE A 110 6.498 9.460 -0.986 1.00 0.00 H new ATOM 0 HA ILE A 110 5.016 9.310 1.591 1.00 0.00 H new ATOM 0 HB ILE A 110 5.107 11.694 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.771 11.102 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.355 11.395 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.083 12.813 1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.094 11.443 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.098 11.279 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.676 13.366 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.523 13.720 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.931 13.422 2.329 1.00 0.00 H new ATOM 1734 N VAL A 111 3.164 8.344 0.291 1.00 0.00 N ATOM 1735 CA VAL A 111 1.973 7.739 -0.279 1.00 0.00 C ATOM 1736 C VAL A 111 0.728 8.565 0.046 1.00 0.00 C ATOM 1737 O VAL A 111 0.477 8.861 1.209 1.00 0.00 O ATOM 1738 CB VAL A 111 1.795 6.374 0.419 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.470 5.670 0.117 1.00 0.00 C ATOM 1740 CG2 VAL A 111 2.967 5.437 0.155 1.00 0.00 C ATOM 0 H VAL A 111 3.339 8.002 1.236 1.00 0.00 H new ATOM 0 HA VAL A 111 2.085 7.665 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 111 1.771 6.620 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.433 4.720 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.359 6.300 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.390 5.488 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.797 4.489 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.057 5.260 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.886 5.890 0.527 1.00 0.00 H new ATOM 1750 N GLU A 112 -0.093 8.922 -0.936 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.331 9.645 -0.651 1.00 0.00 C ATOM 1752 C GLU A 112 -2.425 8.593 -0.431 1.00 0.00 C ATOM 1753 O GLU A 112 -2.434 7.562 -1.109 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.734 10.513 -1.831 1.00 0.00 C ATOM 1755 CG GLU A 112 -3.156 11.147 -1.743 1.00 0.00 C ATOM 1756 CD GLU A 112 -3.741 11.654 -3.072 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -3.107 11.550 -4.146 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -4.941 12.024 -3.072 1.00 0.00 O ATOM 0 H GLU A 112 0.071 8.727 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.193 10.286 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.003 11.315 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.679 9.911 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.839 10.407 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.120 11.980 -1.041 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.346 8.825 0.499 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.468 7.963 0.807 1.00 0.00 C ATOM 1767 C PHE A 113 -5.638 8.847 1.227 1.00 0.00 C ATOM 1768 O PHE A 113 -5.509 9.655 2.152 1.00 0.00 O ATOM 1769 CB PHE A 113 -4.099 6.981 1.915 1.00 0.00 C ATOM 1770 CG PHE A 113 -5.079 5.833 2.086 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.536 5.095 0.977 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -5.528 5.487 3.370 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.484 4.073 1.129 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -6.494 4.480 3.525 1.00 0.00 C ATOM 1775 CZ PHE A 113 -6.987 3.783 2.408 1.00 0.00 C ATOM 0 H PHE A 113 -3.324 9.661 1.083 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.745 7.374 -0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.111 6.571 1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.027 7.525 2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -5.150 5.320 -0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.131 5.994 4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.824 3.514 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.862 4.239 4.511 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.749 3.028 2.533 1.00 0.00 H new ATOM 1785 N ASN A 114 -6.783 8.699 0.557 1.00 0.00 N ATOM 1786 CA ASN A 114 -8.000 9.452 0.822 1.00 0.00 C ATOM 1787 C ASN A 114 -7.699 10.952 0.903 1.00 0.00 C ATOM 1788 O ASN A 114 -8.013 11.604 1.899 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.745 8.956 2.080 1.00 0.00 C ATOM 1790 CG ASN A 114 -8.932 7.452 2.214 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -8.315 6.846 3.075 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -9.799 6.815 1.443 1.00 0.00 N ATOM 0 H ASN A 114 -6.887 8.031 -0.207 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.674 9.280 -0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -8.205 9.311 2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.729 9.424 2.100 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.953 5.814 1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.313 7.325 0.724 1.00 0.00 H new ATOM 1799 N ARG A 115 -7.081 11.503 -0.143 1.00 0.00 N ATOM 1800 CA ARG A 115 -6.729 12.921 -0.288 1.00 0.00 C ATOM 1801 C ARG A 115 -5.673 13.470 0.682 1.00 0.00 C ATOM 1802 O ARG A 115 -5.410 14.672 0.631 1.00 0.00 O ATOM 1803 CB ARG A 115 -8.004 13.800 -0.285 1.00 0.00 C ATOM 1804 CG ARG A 115 -9.176 13.267 -1.136 1.00 0.00 C ATOM 1805 CD ARG A 115 -10.327 12.599 -0.357 1.00 0.00 C ATOM 1806 NE ARG A 115 -10.972 13.494 0.621 1.00 0.00 N ATOM 1807 CZ ARG A 115 -11.577 13.125 1.760 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -11.693 11.842 2.100 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -12.090 14.045 2.566 1.00 0.00 N ATOM 0 H ARG A 115 -6.798 10.949 -0.951 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.233 12.975 -1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.346 13.912 0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.740 14.795 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.587 14.096 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.781 12.546 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.077 12.246 -1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.942 11.722 0.163 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.957 14.492 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.318 11.117 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.157 11.585 2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -12.024 15.033 2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -12.550 13.765 3.432 1.00 0.00 H new ATOM 1823 N GLU A 116 -5.051 12.668 1.542 1.00 0.00 N ATOM 1824 CA GLU A 116 -4.033 13.104 2.494 1.00 0.00 C ATOM 1825 C GLU A 116 -2.756 12.362 2.158 1.00 0.00 C ATOM 1826 O GLU A 116 -2.794 11.225 1.703 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.443 12.758 3.929 1.00 0.00 C ATOM 1828 CG GLU A 116 -5.389 13.773 4.562 1.00 0.00 C ATOM 1829 CD GLU A 116 -5.910 13.216 5.884 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -6.885 12.432 5.834 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -5.360 13.538 6.960 1.00 0.00 O ATOM 0 H GLU A 116 -5.247 11.668 1.598 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.903 14.184 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.921 11.778 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.546 12.679 4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.870 14.716 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.220 13.982 3.889 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.619 12.993 2.393 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.302 12.437 2.132 1.00 0.00 C ATOM 1840 C TYR A 117 0.263 11.820 3.398 1.00 0.00 C ATOM 1841 O TYR A 117 0.251 12.454 4.448 1.00 0.00 O ATOM 1842 CB TYR A 117 0.602 13.544 1.595 1.00 0.00 C ATOM 1843 CG TYR A 117 0.105 14.242 0.343 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -0.845 13.658 -0.520 1.00 0.00 C ATOM 1845 CD2 TYR A 117 0.612 15.511 0.045 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.283 14.325 -1.677 1.00 0.00 C ATOM 1847 CE2 TYR A 117 0.185 16.172 -1.113 1.00 0.00 C ATOM 1848 CZ TYR A 117 -0.753 15.592 -1.981 1.00 0.00 C ATOM 1849 OH TYR A 117 -1.112 16.281 -3.094 1.00 0.00 O ATOM 0 H TYR A 117 -1.585 13.935 2.783 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.368 11.646 1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.737 14.291 2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.584 13.119 1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.243 12.681 -0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.329 15.978 0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.018 13.870 -2.325 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.586 17.148 -1.343 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.362 17.196 -2.846 1.00 0.00 H new ATOM 1859 N TYR A 118 0.825 10.620 3.278 1.00 0.00 N ATOM 1860 CA TYR A 118 1.407 9.875 4.388 1.00 0.00 C ATOM 1861 C TYR A 118 2.817 9.414 4.054 1.00 0.00 C ATOM 1862 O TYR A 118 3.061 8.791 3.022 1.00 0.00 O ATOM 1863 CB TYR A 118 0.526 8.681 4.750 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.843 9.058 5.274 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -1.892 9.310 4.371 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -1.079 9.122 6.658 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -3.181 9.592 4.849 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -2.364 9.416 7.145 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.424 9.649 6.242 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.663 9.936 6.730 1.00 0.00 O ATOM 0 H TYR A 118 0.889 10.129 2.386 1.00 0.00 H new ATOM 0 HA TYR A 118 1.463 10.540 5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.405 8.052 3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.038 8.080 5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -1.705 9.286 3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.269 8.944 7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.988 9.766 4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -2.541 9.464 8.209 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.638 9.930 7.710 1.00 0.00 H new ATOM 1880 N ARG A 119 3.782 9.814 4.876 1.00 0.00 N ATOM 1881 CA ARG A 119 5.176 9.450 4.717 1.00 0.00 C ATOM 1882 C ARG A 119 5.261 7.958 5.010 1.00 0.00 C ATOM 1883 O ARG A 119 4.734 7.489 6.021 1.00 0.00 O ATOM 1884 CB ARG A 119 6.046 10.320 5.635 1.00 0.00 C ATOM 1885 CG ARG A 119 7.545 10.107 5.382 1.00 0.00 C ATOM 1886 CD ARG A 119 8.245 9.342 6.507 1.00 0.00 C ATOM 1887 NE ARG A 119 8.349 10.144 7.741 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.386 10.183 8.586 1.00 0.00 C ATOM 1889 NH1 ARG A 119 10.595 9.769 8.247 1.00 0.00 N ATOM 1890 NH2 ARG A 119 9.216 10.642 9.816 1.00 0.00 N ATOM 0 H ARG A 119 3.609 10.411 5.685 1.00 0.00 H new ATOM 0 HA ARG A 119 5.555 9.631 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.798 11.370 5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.818 10.089 6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.675 9.563 4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.027 11.077 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.696 8.424 6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.243 9.049 6.180 1.00 0.00 H new ATOM 0 HE ARG A 119 7.547 10.730 7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.765 9.402 7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.358 9.816 8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.297 10.965 10.117 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.004 10.673 10.462 1.00 0.00 H new ATOM 1904 N ALA A 120 5.879 7.216 4.103 1.00 0.00 N ATOM 1905 CA ALA A 120 6.070 5.785 4.154 1.00 0.00 C ATOM 1906 C ALA A 120 7.567 5.463 4.074 1.00 0.00 C ATOM 1907 O ALA A 120 8.340 6.258 3.541 1.00 0.00 O ATOM 1908 CB ALA A 120 5.328 5.142 2.992 1.00 0.00 C ATOM 0 H ALA A 120 6.283 7.628 3.262 1.00 0.00 H new ATOM 0 HA ALA A 120 5.678 5.391 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.468 4.061 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.265 5.373 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.718 5.530 2.051 1.00 0.00 H new ATOM 1914 N VAL A 121 7.958 4.252 4.465 1.00 0.00 N ATOM 1915 CA VAL A 121 9.349 3.801 4.489 1.00 0.00 C ATOM 1916 C VAL A 121 9.538 2.391 3.965 1.00 0.00 C ATOM 1917 O VAL A 121 8.707 1.519 4.191 1.00 0.00 O ATOM 1918 CB VAL A 121 9.838 3.935 5.939 1.00 0.00 C ATOM 1919 CG1 VAL A 121 8.957 3.257 6.960 1.00 0.00 C ATOM 1920 CG2 VAL A 121 11.313 3.590 6.152 1.00 0.00 C ATOM 0 H VAL A 121 7.301 3.539 4.782 1.00 0.00 H new ATOM 0 HA VAL A 121 9.939 4.421 3.814 1.00 0.00 H new ATOM 0 HB VAL A 121 9.751 5.006 6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.376 3.402 7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.957 3.688 6.921 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.901 2.191 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.567 3.714 7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.492 2.557 5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.933 4.254 5.549 1.00 0.00 H new ATOM 1930 N LEU A 122 10.655 2.149 3.282 1.00 0.00 N ATOM 1931 CA LEU A 122 11.019 0.870 2.692 1.00 0.00 C ATOM 1932 C LEU A 122 11.151 -0.173 3.803 1.00 0.00 C ATOM 1933 O LEU A 122 11.954 0.006 4.715 1.00 0.00 O ATOM 1934 CB LEU A 122 12.282 1.085 1.830 1.00 0.00 C ATOM 1935 CG LEU A 122 12.526 -0.037 0.812 1.00 0.00 C ATOM 1936 CD1 LEU A 122 11.333 -0.206 -0.131 1.00 0.00 C ATOM 1937 CD2 LEU A 122 13.740 0.255 -0.065 1.00 0.00 C ATOM 0 H LEU A 122 11.357 2.871 3.120 1.00 0.00 H new ATOM 0 HA LEU A 122 10.255 0.477 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.193 2.033 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.150 1.166 2.485 1.00 0.00 H new ATOM 0 HG LEU A 122 12.685 -0.941 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.540 -1.009 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.443 -0.453 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.165 0.723 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 122 13.882 -0.561 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.580 1.185 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.627 0.350 0.561 1.00 0.00 H new ATOM 1949 N ILE A 123 10.349 -1.241 3.752 1.00 0.00 N ATOM 1950 CA ILE A 123 10.333 -2.300 4.771 1.00 0.00 C ATOM 1951 C ILE A 123 11.394 -3.333 4.469 1.00 0.00 C ATOM 1952 O ILE A 123 12.165 -3.726 5.327 1.00 0.00 O ATOM 1953 CB ILE A 123 8.950 -2.974 4.795 1.00 0.00 C ATOM 1954 CG1 ILE A 123 7.909 -1.977 5.312 1.00 0.00 C ATOM 1955 CG2 ILE A 123 8.906 -4.226 5.692 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.534 -2.302 4.755 1.00 0.00 C ATOM 0 H ILE A 123 9.684 -1.398 2.994 1.00 0.00 H new ATOM 0 HA ILE A 123 10.539 -1.855 5.744 1.00 0.00 H new ATOM 0 HB ILE A 123 8.735 -3.287 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.882 -2.004 6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.193 -0.965 5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.905 -4.656 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.625 -4.960 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.157 -3.949 6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.808 -1.582 5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.561 -2.251 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.244 -3.306 5.064 1.00 0.00 H new