USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 91 LYS NZ :NH3+ 175:sc= 0.938 (180deg=0) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0.813 USER MOD Set 2.1: A 17 GLN : amide:sc= 1.02 K(o=2.1,f=-5.4!) USER MOD Set 2.2: A 20 LYS NZ :NH3+ -176:sc= 1.09 (180deg=-0.165) USER MOD Single : A 11 THR OG1 : rot 142:sc= 1.19 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS :FLIP no HE2:sc= -0.0496 F(o=-1,f=-0.05) USER MOD Single : A 40 SER OG : rot -119:sc= 0.0472 USER MOD Single : A 44 SER OG : rot 116:sc= 1.15 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.86 K(o=1.9,f=-4.9!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 56 ASN : amide:sc= -0.0656 K(o=-0.066,f=-3.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -2.17 K(o=-2.2,f=-8.9!) USER MOD Single : A 67 GLN : amide:sc= -1.47 K(o=-1.5,f=-5.4!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0465 USER MOD Single : A 77 HIS : no HE2:sc= -3.04! C(o=-3!,f=-7.3!) USER MOD Single : A 84 THR OG1 : rot 40:sc= 0.297 USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00191) USER MOD Single : A 92 LYS NZ :NH3+ -118:sc= 0.136 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 80:sc= -0.0174 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 12.405 -6.897 1.945 1.00 0.00 N ATOM 145 CA THR A 11 12.327 -8.347 1.829 1.00 0.00 C ATOM 146 C THR A 11 11.000 -8.808 2.453 1.00 0.00 C ATOM 147 O THR A 11 10.251 -8.014 3.009 1.00 0.00 O ATOM 148 CB THR A 11 13.540 -8.978 2.538 1.00 0.00 C ATOM 149 OG1 THR A 11 14.635 -8.079 2.607 1.00 0.00 O ATOM 150 CG2 THR A 11 14.036 -10.235 1.833 1.00 0.00 C ATOM 0 HA THR A 11 12.351 -8.662 0.786 1.00 0.00 H new ATOM 0 HB THR A 11 13.186 -9.228 3.538 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.087 -8.180 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.892 -10.641 2.372 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.238 -10.977 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.334 -9.987 0.814 1.00 0.00 H new ATOM 158 N ALA A 12 10.704 -10.100 2.398 1.00 0.00 N ATOM 159 CA ALA A 12 9.472 -10.697 2.928 1.00 0.00 C ATOM 160 C ALA A 12 9.383 -10.572 4.437 1.00 0.00 C ATOM 161 O ALA A 12 8.396 -10.041 4.937 1.00 0.00 O ATOM 162 CB ALA A 12 9.371 -12.158 2.472 1.00 0.00 C ATOM 0 H ALA A 12 11.328 -10.786 1.973 1.00 0.00 H new ATOM 0 HA ALA A 12 8.621 -10.145 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.456 -12.600 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.354 -12.199 1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.232 -12.715 2.842 1.00 0.00 H new ATOM 168 N ALA A 13 10.412 -11.012 5.154 1.00 0.00 N ATOM 169 CA ALA A 13 10.446 -10.851 6.603 1.00 0.00 C ATOM 170 C ALA A 13 10.570 -9.371 6.972 1.00 0.00 C ATOM 171 O ALA A 13 10.109 -8.953 8.027 1.00 0.00 O ATOM 172 CB ALA A 13 11.613 -11.645 7.190 1.00 0.00 C ATOM 0 H ALA A 13 11.228 -11.480 4.759 1.00 0.00 H new ATOM 0 HA ALA A 13 9.515 -11.234 7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.631 -11.519 8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.492 -12.701 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.550 -11.282 6.767 1.00 0.00 H new ATOM 178 N GLU A 14 11.157 -8.565 6.090 1.00 0.00 N ATOM 179 CA GLU A 14 11.325 -7.141 6.288 1.00 0.00 C ATOM 180 C GLU A 14 9.964 -6.473 6.201 1.00 0.00 C ATOM 181 O GLU A 14 9.657 -5.606 7.009 1.00 0.00 O ATOM 182 CB GLU A 14 12.256 -6.592 5.196 1.00 0.00 C ATOM 183 CG GLU A 14 13.523 -5.933 5.746 1.00 0.00 C ATOM 184 CD GLU A 14 14.600 -6.969 6.054 1.00 0.00 C ATOM 185 OE1 GLU A 14 15.085 -7.617 5.099 1.00 0.00 O ATOM 186 OE2 GLU A 14 14.962 -7.137 7.243 1.00 0.00 O ATOM 0 H GLU A 14 11.534 -8.897 5.202 1.00 0.00 H new ATOM 0 HA GLU A 14 11.764 -6.940 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.540 -7.406 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.709 -5.865 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.905 -5.213 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.282 -5.376 6.652 1.00 0.00 H new ATOM 193 N ILE A 15 9.146 -6.859 5.225 1.00 0.00 N ATOM 194 CA ILE A 15 7.812 -6.354 5.058 1.00 0.00 C ATOM 195 C ILE A 15 6.955 -6.848 6.206 1.00 0.00 C ATOM 196 O ILE A 15 6.353 -6.017 6.880 1.00 0.00 O ATOM 197 CB ILE A 15 7.308 -6.684 3.630 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.840 -5.571 2.711 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.782 -6.764 3.569 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.579 -5.797 1.215 1.00 0.00 C ATOM 0 H ILE A 15 9.411 -7.547 4.520 1.00 0.00 H new ATOM 0 HA ILE A 15 7.765 -5.267 5.116 1.00 0.00 H new ATOM 0 HB ILE A 15 7.670 -7.663 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.385 -4.626 3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.914 -5.471 2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.470 -6.997 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.431 -7.545 4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.355 -5.807 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.988 -4.963 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.058 -6.723 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.505 -5.865 1.039 1.00 0.00 H new ATOM 212 N GLU A 16 6.905 -8.152 6.470 1.00 0.00 N ATOM 213 CA GLU A 16 6.042 -8.603 7.552 1.00 0.00 C ATOM 214 C GLU A 16 6.431 -7.971 8.884 1.00 0.00 C ATOM 215 O GLU A 16 5.561 -7.407 9.539 1.00 0.00 O ATOM 216 CB GLU A 16 6.017 -10.114 7.698 1.00 0.00 C ATOM 217 CG GLU A 16 5.261 -10.793 6.552 1.00 0.00 C ATOM 218 CD GLU A 16 4.810 -12.193 6.957 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.652 -13.122 6.968 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.620 -12.375 7.298 1.00 0.00 O ATOM 0 H GLU A 16 7.423 -8.880 5.978 1.00 0.00 H new ATOM 0 HA GLU A 16 5.039 -8.276 7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.039 -10.491 7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.549 -10.378 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.394 -10.192 6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.902 -10.852 5.672 1.00 0.00 H new ATOM 227 N GLN A 17 7.703 -8.007 9.299 1.00 0.00 N ATOM 228 CA GLN A 17 8.062 -7.437 10.590 1.00 0.00 C ATOM 229 C GLN A 17 7.926 -5.923 10.520 1.00 0.00 C ATOM 230 O GLN A 17 7.594 -5.302 11.527 1.00 0.00 O ATOM 231 CB GLN A 17 9.499 -7.775 10.994 1.00 0.00 C ATOM 232 CG GLN A 17 9.824 -9.271 11.129 1.00 0.00 C ATOM 233 CD GLN A 17 9.217 -9.862 12.390 1.00 0.00 C ATOM 234 OE1 GLN A 17 8.020 -10.142 12.434 1.00 0.00 O ATOM 235 NE2 GLN A 17 10.007 -10.048 13.434 1.00 0.00 N ATOM 0 H GLN A 17 8.476 -8.414 8.773 1.00 0.00 H new ATOM 0 HA GLN A 17 7.390 -7.863 11.335 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.175 -7.341 10.257 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.712 -7.289 11.946 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.447 -9.806 10.257 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.905 -9.409 11.145 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.997 -9.808 13.374 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.627 -10.431 14.299 1.00 0.00 H new ATOM 244 N GLY A 18 8.152 -5.339 9.341 1.00 0.00 N ATOM 245 CA GLY A 18 8.143 -3.917 9.110 1.00 0.00 C ATOM 246 C GLY A 18 6.763 -3.370 9.385 1.00 0.00 C ATOM 247 O GLY A 18 6.615 -2.324 10.018 1.00 0.00 O ATOM 0 H GLY A 18 8.353 -5.876 8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.874 -3.429 9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.432 -3.703 8.081 1.00 0.00 H new ATOM 251 N PHE A 19 5.754 -4.105 8.916 1.00 0.00 N ATOM 252 CA PHE A 19 4.405 -3.577 8.814 1.00 0.00 C ATOM 253 C PHE A 19 3.427 -4.266 9.756 1.00 0.00 C ATOM 254 O PHE A 19 2.298 -3.801 9.891 1.00 0.00 O ATOM 255 CB PHE A 19 4.050 -3.489 7.329 1.00 0.00 C ATOM 256 CG PHE A 19 5.077 -2.617 6.608 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.288 -1.286 7.017 1.00 0.00 C ATOM 258 CD2 PHE A 19 5.976 -3.190 5.695 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.375 -0.544 6.524 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.095 -2.469 5.245 1.00 0.00 C ATOM 261 CZ PHE A 19 7.294 -1.141 5.648 1.00 0.00 C ATOM 0 H PHE A 19 5.852 -5.070 8.601 1.00 0.00 H new ATOM 0 HA PHE A 19 4.332 -2.558 9.193 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.032 -4.486 6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.052 -3.069 7.208 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.606 -0.830 7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.806 -4.194 5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.503 0.487 6.820 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.807 -2.941 4.584 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.146 -0.583 5.288 1.00 0.00 H new ATOM 271 N LYS A 20 3.910 -5.221 10.566 1.00 0.00 N ATOM 272 CA LYS A 20 3.283 -5.796 11.766 1.00 0.00 C ATOM 273 C LYS A 20 2.970 -4.766 12.874 1.00 0.00 C ATOM 274 O LYS A 20 2.702 -5.141 14.018 1.00 0.00 O ATOM 275 CB LYS A 20 4.151 -6.985 12.251 1.00 0.00 C ATOM 276 CG LYS A 20 3.574 -8.303 11.709 1.00 0.00 C ATOM 277 CD LYS A 20 4.485 -9.531 11.852 1.00 0.00 C ATOM 278 CE LYS A 20 4.728 -9.969 13.302 1.00 0.00 C ATOM 279 NZ LYS A 20 5.864 -9.271 13.941 1.00 0.00 N ATOM 0 H LYS A 20 4.820 -5.644 10.384 1.00 0.00 H new ATOM 0 HA LYS A 20 2.293 -6.163 11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.179 -6.860 11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.176 -7.009 13.340 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.635 -8.507 12.223 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.337 -8.169 10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.044 -10.362 11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.445 -9.313 11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.825 -9.788 13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.912 -11.043 13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.018 -9.659 14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.722 -9.407 13.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.652 -8.255 14.011 1.00 0.00 H new ATOM 293 N ASP A 21 2.937 -3.478 12.550 1.00 0.00 N ATOM 294 CA ASP A 21 2.362 -2.385 13.328 1.00 0.00 C ATOM 295 C ASP A 21 0.843 -2.430 13.137 1.00 0.00 C ATOM 296 O ASP A 21 0.076 -2.235 14.080 1.00 0.00 O ATOM 297 CB ASP A 21 2.908 -1.075 12.730 1.00 0.00 C ATOM 298 CG ASP A 21 2.411 0.227 13.369 1.00 0.00 C ATOM 299 OD1 ASP A 21 1.211 0.409 13.672 1.00 0.00 O ATOM 300 OD2 ASP A 21 3.242 1.158 13.487 1.00 0.00 O ATOM 0 H ASP A 21 3.340 -3.146 11.674 1.00 0.00 H new ATOM 0 HA ASP A 21 2.608 -2.458 14.387 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.996 -1.096 12.799 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.656 -1.053 11.670 1.00 0.00 H new ATOM 305 N VAL A 22 0.395 -2.759 11.924 1.00 0.00 N ATOM 306 CA VAL A 22 -1.003 -2.862 11.529 1.00 0.00 C ATOM 307 C VAL A 22 -1.187 -4.269 10.921 1.00 0.00 C ATOM 308 O VAL A 22 -0.197 -4.975 10.689 1.00 0.00 O ATOM 309 CB VAL A 22 -1.272 -1.634 10.628 1.00 0.00 C ATOM 310 CG1 VAL A 22 -0.722 -1.811 9.216 1.00 0.00 C ATOM 311 CG2 VAL A 22 -2.686 -1.049 10.581 1.00 0.00 C ATOM 0 H VAL A 22 1.032 -2.970 11.156 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.751 -2.810 12.320 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.710 -0.872 11.168 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.939 -0.920 8.627 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.356 -1.962 9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.190 -2.677 8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.704 -0.195 9.904 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.382 -1.809 10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.980 -0.727 11.580 1.00 0.00 H new ATOM 321 N PRO A 23 -2.416 -4.766 10.740 1.00 0.00 N ATOM 322 CA PRO A 23 -2.647 -6.091 10.204 1.00 0.00 C ATOM 323 C PRO A 23 -2.520 -6.049 8.681 1.00 0.00 C ATOM 324 O PRO A 23 -2.320 -4.997 8.064 1.00 0.00 O ATOM 325 CB PRO A 23 -4.051 -6.455 10.676 1.00 0.00 C ATOM 326 CG PRO A 23 -4.764 -5.116 10.576 1.00 0.00 C ATOM 327 CD PRO A 23 -3.678 -4.069 10.831 1.00 0.00 C ATOM 0 HA PRO A 23 -1.928 -6.838 10.540 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.512 -7.213 10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.053 -6.845 11.694 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.218 -4.983 9.594 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.566 -5.040 11.310 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.732 -3.265 10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.801 -3.612 11.813 1.00 0.00 H new ATOM 335 N SER A 24 -2.668 -7.219 8.084 1.00 0.00 N ATOM 336 CA SER A 24 -2.460 -7.443 6.672 1.00 0.00 C ATOM 337 C SER A 24 -3.790 -7.802 6.001 1.00 0.00 C ATOM 338 O SER A 24 -4.853 -7.813 6.638 1.00 0.00 O ATOM 339 CB SER A 24 -1.377 -8.523 6.506 1.00 0.00 C ATOM 340 OG SER A 24 -1.440 -9.511 7.519 1.00 0.00 O ATOM 0 H SER A 24 -2.945 -8.062 8.588 1.00 0.00 H new ATOM 0 HA SER A 24 -2.104 -6.541 6.174 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.488 -8.998 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.394 -8.053 6.521 1.00 0.00 H new ATOM 0 HG SER A 24 -0.735 -10.176 7.372 1.00 0.00 H new ATOM 346 N PHE A 25 -3.748 -8.079 4.701 1.00 0.00 N ATOM 347 CA PHE A 25 -4.832 -8.692 3.963 1.00 0.00 C ATOM 348 C PHE A 25 -4.246 -9.683 2.982 1.00 0.00 C ATOM 349 O PHE A 25 -3.057 -9.618 2.650 1.00 0.00 O ATOM 350 CB PHE A 25 -5.596 -7.590 3.248 1.00 0.00 C ATOM 351 CG PHE A 25 -6.736 -8.034 2.350 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.992 -8.363 2.894 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.535 -8.122 0.960 1.00 0.00 C ATOM 354 CE1 PHE A 25 -9.029 -8.802 2.052 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.571 -8.549 0.118 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.813 -8.905 0.666 1.00 0.00 C ATOM 0 H PHE A 25 -2.933 -7.875 4.122 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.517 -9.226 4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.997 -6.910 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.889 -7.019 2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.159 -8.278 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.576 -7.859 0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.991 -9.060 2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.414 -8.604 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.605 -9.259 0.022 1.00 0.00 H new ATOM 366 N VAL A 26 -5.085 -10.574 2.481 1.00 0.00 N ATOM 367 CA VAL A 26 -4.780 -11.498 1.437 1.00 0.00 C ATOM 368 C VAL A 26 -6.025 -11.651 0.566 1.00 0.00 C ATOM 369 O VAL A 26 -7.142 -11.718 1.097 1.00 0.00 O ATOM 370 CB VAL A 26 -4.277 -12.787 2.097 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.340 -13.599 2.825 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.558 -13.681 1.097 1.00 0.00 C ATOM 0 H VAL A 26 -6.043 -10.665 2.819 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.987 -11.166 0.767 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.583 -12.436 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.885 -14.490 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.779 -12.995 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.118 -13.894 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.215 -14.586 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.242 -13.950 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.702 -13.149 0.683 1.00 0.00 H new ATOM 382 N HIS A 27 -5.853 -11.694 -0.757 1.00 0.00 N ATOM 383 CA HIS A 27 -6.884 -12.176 -1.652 1.00 0.00 C ATOM 384 C HIS A 27 -6.382 -13.400 -2.392 1.00 0.00 C ATOM 385 O HIS A 27 -5.255 -13.452 -2.868 1.00 0.00 O ATOM 386 CB HIS A 27 -7.389 -11.099 -2.613 1.00 0.00 C ATOM 387 CG HIS A 27 -6.397 -10.178 -3.276 1.00 0.00 C ATOM 388 ND1 HIS A 27 -5.038 -10.308 -3.394 1.00 0.00 N flip ATOM 389 CD2 HIS A 27 -6.754 -9.023 -3.922 1.00 0.00 C flip ATOM 390 CE1 HIS A 27 -4.551 -9.190 -4.070 1.00 0.00 C flip ATOM 391 NE2 HIS A 27 -5.629 -8.460 -4.381 1.00 0.00 N flip ATOM 0 H HIS A 27 -4.998 -11.396 -1.227 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.748 -12.454 -1.048 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.949 -11.601 -3.402 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.098 -10.478 -2.065 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -4.479 -11.088 -3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.756 -8.638 -4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.520 -8.961 -4.295 1.00 0.00 H new ATOM 399 N GLU A 28 -7.241 -14.386 -2.553 1.00 0.00 N ATOM 400 CA GLU A 28 -7.011 -15.452 -3.507 1.00 0.00 C ATOM 401 C GLU A 28 -7.437 -14.911 -4.861 1.00 0.00 C ATOM 402 O GLU A 28 -8.528 -15.201 -5.364 1.00 0.00 O ATOM 403 CB GLU A 28 -7.695 -16.748 -3.081 1.00 0.00 C ATOM 404 CG GLU A 28 -7.288 -17.858 -4.067 1.00 0.00 C ATOM 405 CD GLU A 28 -7.268 -19.250 -3.451 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.908 -19.393 -2.263 1.00 0.00 O ATOM 407 OE2 GLU A 28 -7.502 -20.231 -4.194 1.00 0.00 O ATOM 0 H GLU A 28 -8.113 -14.471 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.961 -15.739 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.402 -17.016 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.778 -16.622 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.979 -17.854 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.299 -17.633 -4.465 1.00 0.00 H new ATOM 414 N GLY A 29 -6.601 -14.016 -5.378 1.00 0.00 N ATOM 415 CA GLY A 29 -6.890 -13.239 -6.569 1.00 0.00 C ATOM 416 C GLY A 29 -5.682 -13.057 -7.472 1.00 0.00 C ATOM 417 O GLY A 29 -4.539 -13.063 -7.008 1.00 0.00 O ATOM 0 H GLY A 29 -5.689 -13.810 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.685 -13.729 -7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.266 -12.259 -6.274 1.00 0.00 H new ATOM 421 N GLY A 30 -5.960 -12.857 -8.761 1.00 0.00 N ATOM 422 CA GLY A 30 -5.043 -12.340 -9.745 1.00 0.00 C ATOM 423 C GLY A 30 -5.007 -10.826 -9.609 1.00 0.00 C ATOM 424 O GLY A 30 -5.305 -10.282 -8.546 1.00 0.00 O ATOM 0 H GLY A 30 -6.878 -13.065 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.048 -12.759 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.361 -12.624 -10.748 1.00 0.00 H new ATOM 428 N ASP A 31 -4.614 -10.147 -10.679 1.00 0.00 N ATOM 429 CA ASP A 31 -4.422 -8.699 -10.665 1.00 0.00 C ATOM 430 C ASP A 31 -5.717 -7.977 -10.330 1.00 0.00 C ATOM 431 O ASP A 31 -6.799 -8.380 -10.773 1.00 0.00 O ATOM 432 CB ASP A 31 -3.793 -8.142 -11.940 1.00 0.00 C ATOM 433 CG ASP A 31 -4.771 -8.038 -13.115 1.00 0.00 C ATOM 434 OD1 ASP A 31 -5.035 -9.078 -13.756 1.00 0.00 O ATOM 435 OD2 ASP A 31 -5.286 -6.930 -13.398 1.00 0.00 O ATOM 0 H ASP A 31 -4.419 -10.582 -11.581 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.697 -8.507 -9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.384 -7.154 -11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.957 -8.778 -12.230 1.00 0.00 H new ATOM 440 N VAL A 32 -5.609 -6.918 -9.526 1.00 0.00 N ATOM 441 CA VAL A 32 -6.734 -6.301 -8.839 1.00 0.00 C ATOM 442 C VAL A 32 -6.378 -4.848 -8.555 1.00 0.00 C ATOM 443 O VAL A 32 -5.264 -4.601 -8.114 1.00 0.00 O ATOM 444 CB VAL A 32 -7.036 -7.071 -7.537 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.729 -6.266 -6.419 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.907 -8.314 -7.759 1.00 0.00 C ATOM 0 H VAL A 32 -4.718 -6.460 -9.334 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.631 -6.335 -9.457 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.028 -7.330 -7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.891 -6.909 -5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.099 -5.424 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.688 -5.895 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.083 -8.810 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.861 -8.017 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.397 -8.999 -8.436 1.00 0.00 H new ATOM 456 N PRO A 33 -7.302 -3.897 -8.762 1.00 0.00 N ATOM 457 CA PRO A 33 -7.107 -2.480 -8.496 1.00 0.00 C ATOM 458 C PRO A 33 -6.529 -2.219 -7.108 1.00 0.00 C ATOM 459 O PRO A 33 -7.120 -2.663 -6.119 1.00 0.00 O ATOM 460 CB PRO A 33 -8.510 -1.864 -8.621 1.00 0.00 C ATOM 461 CG PRO A 33 -9.253 -2.803 -9.563 1.00 0.00 C ATOM 462 CD PRO A 33 -8.647 -4.158 -9.232 1.00 0.00 C ATOM 0 HA PRO A 33 -6.388 -2.047 -9.191 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.004 -1.801 -7.651 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.465 -0.852 -9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.328 -2.786 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.098 -2.534 -10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.233 -4.670 -8.469 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.634 -4.803 -10.110 1.00 0.00 H new ATOM 470 N LEU A 34 -5.475 -1.393 -7.005 1.00 0.00 N ATOM 471 CA LEU A 34 -5.029 -0.893 -5.705 1.00 0.00 C ATOM 472 C LEU A 34 -6.195 -0.354 -4.852 1.00 0.00 C ATOM 473 O LEU A 34 -6.268 -0.613 -3.651 1.00 0.00 O ATOM 474 CB LEU A 34 -3.757 -0.034 -5.819 1.00 0.00 C ATOM 475 CG LEU A 34 -3.862 1.406 -6.328 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.472 2.003 -6.527 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.690 1.582 -7.606 1.00 0.00 C ATOM 0 H LEU A 34 -4.925 -1.064 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.682 -1.730 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.298 0.002 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.064 -0.562 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.404 1.942 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.564 3.027 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.936 2.001 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.922 1.408 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.706 2.635 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.245 0.998 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.709 1.238 -7.429 1.00 0.00 H new ATOM 489 N VAL A 35 -7.189 0.286 -5.478 1.00 0.00 N ATOM 490 CA VAL A 35 -8.342 0.914 -4.815 1.00 0.00 C ATOM 491 C VAL A 35 -9.468 -0.064 -4.491 1.00 0.00 C ATOM 492 O VAL A 35 -10.453 0.301 -3.851 1.00 0.00 O ATOM 493 CB VAL A 35 -8.769 2.148 -5.629 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.386 1.759 -6.979 1.00 0.00 C ATOM 495 CG2 VAL A 35 -9.680 3.126 -4.879 1.00 0.00 C ATOM 0 H VAL A 35 -7.216 0.385 -6.493 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.043 1.257 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.839 2.688 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.673 2.660 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.656 1.200 -7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.267 1.140 -6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.929 3.964 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.595 2.614 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.165 3.496 -3.993 1.00 0.00 H new ATOM 505 N GLU A 36 -9.307 -1.319 -4.881 1.00 0.00 N ATOM 506 CA GLU A 36 -10.142 -2.415 -4.454 1.00 0.00 C ATOM 507 C GLU A 36 -9.418 -3.146 -3.327 1.00 0.00 C ATOM 508 O GLU A 36 -10.022 -3.401 -2.287 1.00 0.00 O ATOM 509 CB GLU A 36 -10.431 -3.272 -5.694 1.00 0.00 C ATOM 510 CG GLU A 36 -11.116 -4.613 -5.463 1.00 0.00 C ATOM 511 CD GLU A 36 -12.364 -4.577 -4.572 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.038 -3.525 -4.476 1.00 0.00 O ATOM 513 OE2 GLU A 36 -12.706 -5.619 -3.963 1.00 0.00 O ATOM 0 H GLU A 36 -8.567 -1.604 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.105 -2.106 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.051 -2.687 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.486 -3.458 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.395 -5.029 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.394 -5.297 -5.018 1.00 0.00 H new ATOM 520 N LEU A 37 -8.111 -3.407 -3.442 1.00 0.00 N ATOM 521 CA LEU A 37 -7.427 -4.209 -2.449 1.00 0.00 C ATOM 522 C LEU A 37 -7.179 -3.389 -1.207 1.00 0.00 C ATOM 523 O LEU A 37 -7.085 -4.003 -0.161 1.00 0.00 O ATOM 524 CB LEU A 37 -6.191 -4.947 -2.991 1.00 0.00 C ATOM 525 CG LEU A 37 -5.114 -4.146 -3.743 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.229 -3.264 -2.863 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.212 -5.146 -4.474 1.00 0.00 C ATOM 0 H LEU A 37 -7.522 -3.075 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.085 -5.029 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.706 -5.440 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.544 -5.732 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.646 -3.468 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.503 -2.741 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.848 -2.536 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.704 -3.885 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.437 -4.607 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.748 -5.815 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.809 -5.729 -5.176 1.00 0.00 H new ATOM 539 N LEU A 38 -7.180 -2.047 -1.237 1.00 0.00 N ATOM 540 CA LEU A 38 -7.042 -1.280 -0.020 1.00 0.00 C ATOM 541 C LEU A 38 -8.362 -1.254 0.759 1.00 0.00 C ATOM 542 O LEU A 38 -8.378 -1.033 1.966 1.00 0.00 O ATOM 543 CB LEU A 38 -6.484 0.139 -0.271 1.00 0.00 C ATOM 544 CG LEU A 38 -7.511 1.293 -0.191 1.00 0.00 C ATOM 545 CD1 LEU A 38 -6.825 2.660 -0.115 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.557 1.226 -1.302 1.00 0.00 C ATOM 0 H LEU A 38 -7.274 -1.490 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.300 -1.784 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.694 0.331 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.022 0.157 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.058 1.161 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.581 3.444 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.194 2.702 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.211 2.809 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.252 2.059 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.062 1.285 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.104 0.286 -1.230 1.00 0.00 H new ATOM 558 N VAL A 39 -9.476 -1.392 0.050 1.00 0.00 N ATOM 559 CA VAL A 39 -10.844 -1.252 0.545 1.00 0.00 C ATOM 560 C VAL A 39 -11.194 -2.555 1.250 1.00 0.00 C ATOM 561 O VAL A 39 -11.730 -2.556 2.358 1.00 0.00 O ATOM 562 CB VAL A 39 -11.722 -0.907 -0.685 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.729 -1.957 -1.184 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.511 0.393 -0.510 1.00 0.00 C ATOM 0 H VAL A 39 -9.449 -1.618 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.996 -0.457 1.275 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.940 -0.834 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.265 -1.565 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.197 -2.865 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.440 -2.186 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.106 0.581 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.171 0.305 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.819 1.221 -0.355 1.00 0.00 H new ATOM 574 N SER A 40 -10.791 -3.647 0.609 1.00 0.00 N ATOM 575 CA SER A 40 -10.742 -4.989 1.124 1.00 0.00 C ATOM 576 C SER A 40 -9.763 -5.037 2.293 1.00 0.00 C ATOM 577 O SER A 40 -10.118 -5.518 3.370 1.00 0.00 O ATOM 578 CB SER A 40 -10.327 -5.939 -0.008 1.00 0.00 C ATOM 579 OG SER A 40 -11.366 -6.850 -0.296 1.00 0.00 O ATOM 0 H SER A 40 -10.468 -3.601 -0.357 1.00 0.00 H new ATOM 0 HA SER A 40 -11.719 -5.304 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.082 -5.364 -0.901 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.427 -6.483 0.278 1.00 0.00 H new ATOM 0 HG SER A 40 -11.051 -7.765 -0.140 1.00 0.00 H new ATOM 585 N ALA A 41 -8.551 -4.490 2.123 1.00 0.00 N ATOM 586 CA ALA A 41 -7.525 -4.670 3.141 1.00 0.00 C ATOM 587 C ALA A 41 -7.738 -3.736 4.330 1.00 0.00 C ATOM 588 O ALA A 41 -7.203 -4.003 5.408 1.00 0.00 O ATOM 589 CB ALA A 41 -6.132 -4.508 2.528 1.00 0.00 C ATOM 0 H ALA A 41 -8.269 -3.937 1.314 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.605 -5.686 3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.376 -4.645 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.990 -5.253 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.036 -3.510 2.100 1.00 0.00 H new ATOM 595 N GLY A 42 -8.565 -2.699 4.175 1.00 0.00 N ATOM 596 CA GLY A 42 -9.097 -1.952 5.300 1.00 0.00 C ATOM 597 C GLY A 42 -8.188 -0.794 5.653 1.00 0.00 C ATOM 598 O GLY A 42 -8.068 -0.401 6.813 1.00 0.00 O ATOM 0 H GLY A 42 -8.879 -2.360 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.092 -1.579 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.206 -2.611 6.161 1.00 0.00 H new ATOM 602 N ILE A 43 -7.617 -0.205 4.612 1.00 0.00 N ATOM 603 CA ILE A 43 -6.858 1.015 4.664 1.00 0.00 C ATOM 604 C ILE A 43 -7.951 2.079 4.738 1.00 0.00 C ATOM 605 O ILE A 43 -8.006 2.804 5.732 1.00 0.00 O ATOM 606 CB ILE A 43 -6.012 1.128 3.376 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.808 0.170 3.250 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.419 2.548 3.228 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.110 -1.314 3.432 1.00 0.00 C ATOM 0 H ILE A 43 -7.679 -0.590 3.670 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.155 1.094 5.493 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.736 0.864 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.359 0.311 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.059 0.461 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.828 2.602 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.228 3.277 3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.783 2.768 4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.190 -1.889 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.526 -1.481 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.830 -1.634 2.679 1.00 0.00 H new ATOM 621 N SER A 44 -8.877 2.102 3.767 1.00 0.00 N ATOM 622 CA SER A 44 -9.950 3.082 3.721 1.00 0.00 C ATOM 623 C SER A 44 -11.127 2.417 3.021 1.00 0.00 C ATOM 624 O SER A 44 -11.065 2.239 1.810 1.00 0.00 O ATOM 625 CB SER A 44 -9.471 4.346 3.002 1.00 0.00 C ATOM 626 OG SER A 44 -8.858 5.189 3.954 1.00 0.00 O ATOM 0 H SER A 44 -8.895 1.436 2.994 1.00 0.00 H new ATOM 0 HA SER A 44 -10.258 3.399 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.766 4.090 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.310 4.855 2.528 1.00 0.00 H new ATOM 0 HG SER A 44 -7.907 5.288 3.739 1.00 0.00 H new ATOM 632 N PRO A 45 -12.172 1.991 3.751 1.00 0.00 N ATOM 633 CA PRO A 45 -13.265 1.208 3.186 1.00 0.00 C ATOM 634 C PRO A 45 -14.307 2.050 2.448 1.00 0.00 C ATOM 635 O PRO A 45 -15.213 1.502 1.822 1.00 0.00 O ATOM 636 CB PRO A 45 -13.912 0.551 4.398 1.00 0.00 C ATOM 637 CG PRO A 45 -13.711 1.558 5.524 1.00 0.00 C ATOM 638 CD PRO A 45 -12.334 2.123 5.194 1.00 0.00 C ATOM 0 HA PRO A 45 -12.885 0.510 2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.970 0.353 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.442 -0.405 4.630 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.480 2.330 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.734 1.084 6.505 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.259 3.167 5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.553 1.578 5.724 1.00 0.00 H new ATOM 646 N SER A 46 -14.242 3.373 2.573 1.00 0.00 N ATOM 647 CA SER A 46 -15.188 4.295 1.970 1.00 0.00 C ATOM 648 C SER A 46 -14.632 4.663 0.604 1.00 0.00 C ATOM 649 O SER A 46 -13.552 5.245 0.562 1.00 0.00 O ATOM 650 CB SER A 46 -15.368 5.494 2.893 1.00 0.00 C ATOM 651 OG SER A 46 -16.227 6.463 2.327 1.00 0.00 O ATOM 0 H SER A 46 -13.511 3.840 3.110 1.00 0.00 H new ATOM 0 HA SER A 46 -16.179 3.861 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.774 5.161 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.397 5.944 3.099 1.00 0.00 H new ATOM 0 HG SER A 46 -16.322 7.217 2.945 1.00 0.00 H new ATOM 657 N LYS A 47 -15.310 4.324 -0.498 1.00 0.00 N ATOM 658 CA LYS A 47 -14.762 4.481 -1.849 1.00 0.00 C ATOM 659 C LYS A 47 -14.243 5.888 -2.167 1.00 0.00 C ATOM 660 O LYS A 47 -13.220 5.998 -2.839 1.00 0.00 O ATOM 661 CB LYS A 47 -15.777 4.009 -2.900 1.00 0.00 C ATOM 662 CG LYS A 47 -15.417 2.609 -3.421 1.00 0.00 C ATOM 663 CD LYS A 47 -16.491 2.155 -4.408 1.00 0.00 C ATOM 664 CE LYS A 47 -16.167 0.833 -5.104 1.00 0.00 C ATOM 665 NZ LYS A 47 -16.412 -0.360 -4.276 1.00 0.00 N ATOM 0 H LYS A 47 -16.252 3.934 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.879 3.843 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.776 3.993 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.802 4.715 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.442 2.628 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.346 1.905 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.439 2.054 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.628 2.929 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.762 0.759 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.120 0.842 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.169 -1.214 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.825 -0.314 -3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.416 -0.395 -4.006 1.00 0.00 H new ATOM 679 N ARG A 48 -14.872 6.963 -1.678 1.00 0.00 N ATOM 680 CA ARG A 48 -14.329 8.317 -1.849 1.00 0.00 C ATOM 681 C ARG A 48 -12.953 8.390 -1.194 1.00 0.00 C ATOM 682 O ARG A 48 -11.976 8.801 -1.827 1.00 0.00 O ATOM 683 CB ARG A 48 -15.297 9.361 -1.251 1.00 0.00 C ATOM 684 CG ARG A 48 -15.161 10.801 -1.787 1.00 0.00 C ATOM 685 CD ARG A 48 -13.774 11.468 -1.787 1.00 0.00 C ATOM 686 NE ARG A 48 -13.112 11.554 -0.464 1.00 0.00 N ATOM 687 CZ ARG A 48 -11.979 12.241 -0.234 1.00 0.00 C ATOM 688 NH1 ARG A 48 -11.481 13.043 -1.169 1.00 0.00 N ATOM 689 NH2 ARG A 48 -11.328 12.136 0.920 1.00 0.00 N ATOM 0 H ARG A 48 -15.752 6.923 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.221 8.542 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.318 9.024 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.153 9.382 -0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.529 10.807 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.831 11.434 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.124 10.915 -2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.874 12.475 -2.191 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.542 11.062 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.958 13.139 -2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.621 13.562 -0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.686 11.525 1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.470 12.667 1.072 1.00 0.00 H new ATOM 703 N GLN A 49 -12.898 8.014 0.090 1.00 0.00 N ATOM 704 CA GLN A 49 -11.659 8.067 0.838 1.00 0.00 C ATOM 705 C GLN A 49 -10.638 7.235 0.124 1.00 0.00 C ATOM 706 O GLN A 49 -9.585 7.752 -0.169 1.00 0.00 O ATOM 707 CB GLN A 49 -11.785 7.550 2.279 1.00 0.00 C ATOM 708 CG GLN A 49 -10.607 8.038 3.154 1.00 0.00 C ATOM 709 CD GLN A 49 -10.316 9.532 2.978 1.00 0.00 C ATOM 710 OE1 GLN A 49 -11.233 10.351 3.056 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.094 9.898 2.626 1.00 0.00 N ATOM 0 H GLN A 49 -13.699 7.673 0.621 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.370 9.116 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.727 7.891 2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.812 6.460 2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.831 7.837 4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.713 7.466 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.350 9.203 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.896 10.876 2.413 1.00 0.00 H new ATOM 720 N ALA A 50 -10.986 5.989 -0.174 1.00 0.00 N ATOM 721 CA ALA A 50 -10.166 5.036 -0.885 1.00 0.00 C ATOM 722 C ALA A 50 -9.522 5.675 -2.122 1.00 0.00 C ATOM 723 O ALA A 50 -8.298 5.675 -2.277 1.00 0.00 O ATOM 724 CB ALA A 50 -11.037 3.840 -1.277 1.00 0.00 C ATOM 0 H ALA A 50 -11.893 5.604 0.090 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.354 4.702 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.432 3.110 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.448 3.379 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.852 4.178 -1.917 1.00 0.00 H new ATOM 730 N ARG A 51 -10.354 6.247 -2.999 1.00 0.00 N ATOM 731 CA ARG A 51 -9.882 6.875 -4.221 1.00 0.00 C ATOM 732 C ARG A 51 -8.898 7.980 -3.921 1.00 0.00 C ATOM 733 O ARG A 51 -7.880 8.045 -4.596 1.00 0.00 O ATOM 734 CB ARG A 51 -11.052 7.387 -5.071 1.00 0.00 C ATOM 735 CG ARG A 51 -11.683 6.255 -5.890 1.00 0.00 C ATOM 736 CD ARG A 51 -12.976 6.720 -6.570 1.00 0.00 C ATOM 737 NE ARG A 51 -12.972 6.476 -8.021 1.00 0.00 N ATOM 738 CZ ARG A 51 -13.977 6.791 -8.847 1.00 0.00 C ATOM 739 NH1 ARG A 51 -15.130 7.246 -8.369 1.00 0.00 N ATOM 740 NH2 ARG A 51 -13.820 6.640 -10.154 1.00 0.00 N ATOM 0 H ARG A 51 -11.366 6.284 -2.876 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.360 6.116 -4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.806 7.834 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.701 8.172 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.976 5.910 -6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.895 5.406 -5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.824 6.203 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.117 7.785 -6.385 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.146 6.036 -8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.256 7.358 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.889 7.483 -9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.938 6.286 -10.524 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.581 6.878 -10.790 1.00 0.00 H new ATOM 754 N GLU A 52 -9.131 8.811 -2.910 1.00 0.00 N ATOM 755 CA GLU A 52 -8.125 9.823 -2.574 1.00 0.00 C ATOM 756 C GLU A 52 -6.907 9.208 -1.917 1.00 0.00 C ATOM 757 O GLU A 52 -5.784 9.613 -2.208 1.00 0.00 O ATOM 758 CB GLU A 52 -8.737 10.896 -1.670 1.00 0.00 C ATOM 759 CG GLU A 52 -7.731 11.941 -1.147 1.00 0.00 C ATOM 760 CD GLU A 52 -8.404 12.752 -0.042 1.00 0.00 C ATOM 761 OE1 GLU A 52 -8.477 12.257 1.107 1.00 0.00 O ATOM 762 OE2 GLU A 52 -9.012 13.795 -0.359 1.00 0.00 O ATOM 0 H GLU A 52 -9.969 8.811 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.795 10.286 -3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.524 11.412 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.211 10.408 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.838 11.448 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.411 12.597 -1.957 1.00 0.00 H new ATOM 769 N ASP A 53 -7.110 8.211 -1.073 1.00 0.00 N ATOM 770 CA ASP A 53 -6.098 7.443 -0.408 1.00 0.00 C ATOM 771 C ASP A 53 -5.220 6.733 -1.409 1.00 0.00 C ATOM 772 O ASP A 53 -4.134 6.319 -1.020 1.00 0.00 O ATOM 773 CB ASP A 53 -6.745 6.432 0.552 1.00 0.00 C ATOM 774 CG ASP A 53 -6.785 6.888 2.005 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.897 8.110 2.260 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.694 6.013 2.891 1.00 0.00 O ATOM 0 H ASP A 53 -8.051 7.905 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.472 8.124 0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.763 6.231 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.198 5.491 0.493 1.00 0.00 H new ATOM 781 N ILE A 54 -5.655 6.642 -2.670 1.00 0.00 N ATOM 782 CA ILE A 54 -4.911 6.073 -3.761 1.00 0.00 C ATOM 783 C ILE A 54 -4.568 7.029 -4.884 1.00 0.00 C ATOM 784 O ILE A 54 -3.698 6.699 -5.674 1.00 0.00 O ATOM 785 CB ILE A 54 -5.579 4.762 -4.201 1.00 0.00 C ATOM 786 CG1 ILE A 54 -4.885 3.671 -3.375 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.541 4.460 -5.709 1.00 0.00 C ATOM 788 CD1 ILE A 54 -5.765 2.460 -3.274 1.00 0.00 C ATOM 0 H ILE A 54 -6.574 6.981 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.914 5.835 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.652 4.825 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.936 3.402 -3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.658 4.049 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.041 3.511 -5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.050 5.256 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.505 4.398 -6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.262 1.693 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.703 2.731 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.970 2.075 -4.273 1.00 0.00 H new ATOM 800 N GLN A 55 -5.191 8.192 -4.995 1.00 0.00 N ATOM 801 CA GLN A 55 -4.756 9.250 -5.883 1.00 0.00 C ATOM 802 C GLN A 55 -3.809 10.209 -5.180 1.00 0.00 C ATOM 803 O GLN A 55 -3.245 11.096 -5.826 1.00 0.00 O ATOM 804 CB GLN A 55 -5.988 9.924 -6.479 1.00 0.00 C ATOM 805 CG GLN A 55 -6.541 8.964 -7.537 1.00 0.00 C ATOM 806 CD GLN A 55 -7.820 9.484 -8.175 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.927 9.245 -7.709 1.00 0.00 O ATOM 808 NE2 GLN A 55 -7.702 10.225 -9.262 1.00 0.00 N ATOM 0 H GLN A 55 -6.027 8.428 -4.460 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.173 8.839 -6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.733 10.122 -5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.727 10.884 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.789 8.807 -8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.734 7.994 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.778 10.422 -9.647 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.535 10.600 -9.716 1.00 0.00 H new ATOM 817 N ASN A 56 -3.598 10.052 -3.871 1.00 0.00 N ATOM 818 CA ASN A 56 -2.655 10.878 -3.160 1.00 0.00 C ATOM 819 C ASN A 56 -1.238 10.398 -3.297 1.00 0.00 C ATOM 820 O ASN A 56 -0.922 9.265 -2.973 1.00 0.00 O ATOM 821 CB ASN A 56 -2.992 10.994 -1.654 1.00 0.00 C ATOM 822 CG ASN A 56 -3.896 12.148 -1.248 1.00 0.00 C ATOM 823 OD1 ASN A 56 -3.841 12.586 -0.100 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.715 12.672 -2.141 1.00 0.00 N ATOM 0 H ASN A 56 -4.073 9.358 -3.294 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.740 11.859 -3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.463 10.064 -1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.057 11.082 -1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.317 13.454 -1.884 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.746 12.295 -3.088 1.00 0.00 H new ATOM 831 N GLY A 57 -0.336 11.344 -3.541 1.00 0.00 N ATOM 832 CA GLY A 57 1.098 11.151 -3.408 1.00 0.00 C ATOM 833 C GLY A 57 1.556 10.768 -1.992 1.00 0.00 C ATOM 834 O GLY A 57 2.754 10.678 -1.744 1.00 0.00 O ATOM 0 H GLY A 57 -0.590 12.285 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.414 10.372 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.605 12.069 -3.706 1.00 0.00 H new ATOM 838 N ALA A 58 0.626 10.575 -1.056 1.00 0.00 N ATOM 839 CA ALA A 58 0.869 10.108 0.291 1.00 0.00 C ATOM 840 C ALA A 58 0.708 8.587 0.420 1.00 0.00 C ATOM 841 O ALA A 58 0.864 8.104 1.533 1.00 0.00 O ATOM 842 CB ALA A 58 -0.089 10.831 1.246 1.00 0.00 C ATOM 0 H ALA A 58 -0.363 10.752 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 58 1.903 10.335 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.085 10.487 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.085 11.906 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.119 10.615 0.961 1.00 0.00 H new ATOM 848 N ILE A 59 0.364 7.836 -0.633 1.00 0.00 N ATOM 849 CA ILE A 59 0.309 6.373 -0.641 1.00 0.00 C ATOM 850 C ILE A 59 1.558 5.859 -1.364 1.00 0.00 C ATOM 851 O ILE A 59 1.712 5.849 -2.593 1.00 0.00 O ATOM 852 CB ILE A 59 -1.091 5.924 -1.055 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.374 4.437 -0.877 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.494 6.418 -2.458 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.507 3.565 -1.762 1.00 0.00 C ATOM 0 H ILE A 59 0.108 8.245 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 59 0.393 5.886 0.330 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.739 6.422 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.212 4.163 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.423 4.242 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.498 6.066 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.477 7.508 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.792 6.030 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.753 2.517 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.687 3.815 -2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.543 3.735 -1.524 1.00 0.00 H new ATOM 867 N TYR A 60 2.517 5.526 -0.511 1.00 0.00 N ATOM 868 CA TYR A 60 3.807 4.996 -0.843 1.00 0.00 C ATOM 869 C TYR A 60 3.708 3.470 -0.872 1.00 0.00 C ATOM 870 O TYR A 60 3.717 2.817 0.173 1.00 0.00 O ATOM 871 CB TYR A 60 4.833 5.538 0.156 1.00 0.00 C ATOM 872 CG TYR A 60 4.950 7.054 0.273 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.075 7.778 1.106 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.997 7.738 -0.374 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.235 9.162 1.289 1.00 0.00 C ATOM 876 CE2 TYR A 60 6.149 9.128 -0.214 1.00 0.00 C ATOM 877 CZ TYR A 60 5.264 9.850 0.617 1.00 0.00 C ATOM 878 OH TYR A 60 5.404 11.193 0.803 1.00 0.00 O ATOM 0 H TYR A 60 2.393 5.631 0.496 1.00 0.00 H new ATOM 0 HA TYR A 60 4.143 5.309 -1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.590 5.140 1.141 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.812 5.142 -0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.271 7.263 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.689 7.192 -0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.567 9.699 1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.946 9.645 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 60 6.160 11.520 0.271 1.00 0.00 H new ATOM 888 N VAL A 61 3.562 2.886 -2.058 1.00 0.00 N ATOM 889 CA VAL A 61 3.469 1.443 -2.227 1.00 0.00 C ATOM 890 C VAL A 61 4.867 0.865 -2.207 1.00 0.00 C ATOM 891 O VAL A 61 5.758 1.306 -2.940 1.00 0.00 O ATOM 892 CB VAL A 61 2.725 1.011 -3.497 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.371 -0.479 -3.392 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.404 1.758 -3.585 1.00 0.00 C ATOM 0 H VAL A 61 3.505 3.406 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 61 2.874 1.055 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 61 3.358 1.215 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.842 -0.792 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.285 -1.064 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.734 -0.641 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.873 1.453 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.796 1.527 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.594 2.831 -3.621 1.00 0.00 H new ATOM 904 N ASN A 62 5.062 -0.132 -1.348 1.00 0.00 N ATOM 905 CA ASN A 62 6.369 -0.686 -1.019 1.00 0.00 C ATOM 906 C ASN A 62 7.360 0.397 -0.586 1.00 0.00 C ATOM 907 O ASN A 62 8.569 0.240 -0.724 1.00 0.00 O ATOM 908 CB ASN A 62 6.885 -1.565 -2.160 1.00 0.00 C ATOM 909 CG ASN A 62 6.195 -2.909 -2.217 1.00 0.00 C ATOM 910 OD1 ASN A 62 5.675 -3.411 -1.231 1.00 0.00 O ATOM 911 ND2 ASN A 62 6.152 -3.514 -3.384 1.00 0.00 N ATOM 0 H ASN A 62 4.296 -0.587 -0.850 1.00 0.00 H new ATOM 0 HA ASN A 62 6.258 -1.334 -0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.740 -1.046 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.958 -1.716 -2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.680 -4.414 -3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.590 -3.083 -4.198 1.00 0.00 H new ATOM 918 N GLY A 63 6.838 1.511 -0.077 1.00 0.00 N ATOM 919 CA GLY A 63 7.609 2.643 0.402 1.00 0.00 C ATOM 920 C GLY A 63 7.820 3.728 -0.654 1.00 0.00 C ATOM 921 O GLY A 63 8.536 4.677 -0.358 1.00 0.00 O ATOM 0 H GLY A 63 5.832 1.649 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.103 3.079 1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.581 2.290 0.748 1.00 0.00 H new ATOM 925 N GLU A 64 7.184 3.671 -1.831 1.00 0.00 N ATOM 926 CA GLU A 64 7.419 4.609 -2.931 1.00 0.00 C ATOM 927 C GLU A 64 6.082 5.171 -3.409 1.00 0.00 C ATOM 928 O GLU A 64 5.163 4.397 -3.665 1.00 0.00 O ATOM 929 CB GLU A 64 8.123 3.838 -4.038 1.00 0.00 C ATOM 930 CG GLU A 64 8.636 4.684 -5.203 1.00 0.00 C ATOM 931 CD GLU A 64 9.305 3.801 -6.263 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.159 2.943 -5.922 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.947 3.916 -7.453 1.00 0.00 O ATOM 0 H GLU A 64 6.483 2.962 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 64 8.038 5.450 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.965 3.300 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.435 3.089 -4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.809 5.234 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.349 5.423 -4.836 1.00 0.00 H new ATOM 940 N ARG A 65 5.932 6.497 -3.471 1.00 0.00 N ATOM 941 CA ARG A 65 4.700 7.191 -3.849 1.00 0.00 C ATOM 942 C ARG A 65 4.255 6.690 -5.213 1.00 0.00 C ATOM 943 O ARG A 65 4.938 6.975 -6.198 1.00 0.00 O ATOM 944 CB ARG A 65 4.927 8.717 -3.796 1.00 0.00 C ATOM 945 CG ARG A 65 3.876 9.557 -4.545 1.00 0.00 C ATOM 946 CD ARG A 65 4.203 9.771 -6.033 1.00 0.00 C ATOM 947 NE ARG A 65 3.865 11.112 -6.539 1.00 0.00 N ATOM 948 CZ ARG A 65 3.975 11.455 -7.831 1.00 0.00 C ATOM 949 NH1 ARG A 65 4.344 10.559 -8.742 1.00 0.00 N ATOM 950 NH2 ARG A 65 3.671 12.682 -8.230 1.00 0.00 N ATOM 0 H ARG A 65 6.693 7.139 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 65 3.893 6.977 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.944 9.031 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.910 8.938 -4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.906 9.067 -4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.786 10.528 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.267 9.594 -6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.667 9.027 -6.622 1.00 0.00 H new ATOM 0 HE ARG A 65 3.532 11.812 -5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.547 9.600 -8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.424 10.831 -9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.351 13.374 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.758 12.934 -9.215 1.00 0.00 H new ATOM 964 N LEU A 66 3.150 5.947 -5.277 1.00 0.00 N ATOM 965 CA LEU A 66 2.683 5.335 -6.507 1.00 0.00 C ATOM 966 C LEU A 66 1.143 5.343 -6.456 1.00 0.00 C ATOM 967 O LEU A 66 0.528 4.370 -6.033 1.00 0.00 O ATOM 968 CB LEU A 66 3.292 3.944 -6.615 1.00 0.00 C ATOM 969 CG LEU A 66 4.801 3.880 -6.913 1.00 0.00 C ATOM 970 CD1 LEU A 66 5.222 2.437 -6.726 1.00 0.00 C ATOM 971 CD2 LEU A 66 5.185 4.312 -8.326 1.00 0.00 C ATOM 0 H LEU A 66 2.556 5.756 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 66 2.990 5.874 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.105 3.416 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.765 3.400 -7.399 1.00 0.00 H new ATOM 0 HG LEU A 66 5.300 4.576 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.289 2.340 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.016 2.128 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.664 1.803 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.265 4.236 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.691 3.665 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.873 5.344 -8.488 1.00 0.00 H new ATOM 983 N GLN A 67 0.511 6.471 -6.799 1.00 0.00 N ATOM 984 CA GLN A 67 -0.913 6.769 -6.615 1.00 0.00 C ATOM 985 C GLN A 67 -1.731 6.499 -7.892 1.00 0.00 C ATOM 986 O GLN A 67 -2.537 7.335 -8.320 1.00 0.00 O ATOM 987 CB GLN A 67 -1.051 8.226 -6.068 1.00 0.00 C ATOM 988 CG GLN A 67 -0.886 9.441 -6.991 1.00 0.00 C ATOM 989 CD GLN A 67 0.220 9.357 -8.047 1.00 0.00 C ATOM 990 OE1 GLN A 67 0.256 8.480 -8.900 1.00 0.00 O ATOM 991 NE2 GLN A 67 1.160 10.278 -8.039 1.00 0.00 N ATOM 0 H GLN A 67 1.009 7.245 -7.238 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.343 6.092 -5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.039 8.303 -5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.322 8.335 -5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.833 9.611 -7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.698 10.317 -6.370 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.145 11.016 -7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.904 10.254 -8.737 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.539 5.353 -8.551 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.186 5.067 -9.832 1.00 0.00 C ATOM 1002 C ASP A 68 -2.491 3.586 -10.064 1.00 0.00 C ATOM 1003 O ASP A 68 -1.753 2.717 -9.609 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.288 5.599 -10.940 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.084 5.731 -12.224 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -2.748 6.774 -12.414 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.065 4.800 -13.048 1.00 0.00 O ATOM 0 H ASP A 68 -0.935 4.603 -8.214 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.158 5.561 -9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.877 6.567 -10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.444 4.926 -11.092 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.552 3.301 -10.821 1.00 0.00 N ATOM 1013 CA VAL A 69 -3.974 1.963 -11.242 1.00 0.00 C ATOM 1014 C VAL A 69 -2.931 1.292 -12.131 1.00 0.00 C ATOM 1015 O VAL A 69 -2.581 0.133 -11.928 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.367 2.092 -11.899 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.373 2.847 -13.241 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.056 0.735 -12.061 1.00 0.00 C ATOM 0 H VAL A 69 -4.170 4.031 -11.174 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.058 1.298 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.936 2.702 -11.197 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.390 2.890 -13.630 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.999 3.860 -13.090 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.734 2.327 -13.954 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.031 0.875 -12.527 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.443 0.089 -12.690 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.185 0.273 -11.082 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.377 2.040 -13.078 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.289 1.571 -13.908 1.00 0.00 C ATOM 1030 C GLY A 70 0.033 1.580 -13.164 1.00 0.00 C ATOM 1031 O GLY A 70 1.025 1.053 -13.673 1.00 0.00 O ATOM 0 H GLY A 70 -2.676 2.992 -13.288 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.505 0.560 -14.253 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.211 2.200 -14.795 1.00 0.00 H new ATOM 1035 N ALA A 71 0.077 2.176 -11.971 1.00 0.00 N ATOM 1036 CA ALA A 71 1.209 2.013 -11.085 1.00 0.00 C ATOM 1037 C ALA A 71 1.077 0.668 -10.385 1.00 0.00 C ATOM 1038 O ALA A 71 2.005 -0.128 -10.554 1.00 0.00 O ATOM 1039 CB ALA A 71 1.446 3.212 -10.166 1.00 0.00 C ATOM 0 H ALA A 71 -0.663 2.774 -11.605 1.00 0.00 H new ATOM 0 HA ALA A 71 2.132 1.996 -11.665 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.310 3.018 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.631 4.101 -10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.566 3.372 -9.543 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.022 0.353 -9.669 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.186 -0.942 -9.031 1.00 0.00 C ATOM 1047 C ILE A 72 -1.592 -1.518 -9.164 1.00 0.00 C ATOM 1048 O ILE A 72 -2.595 -0.839 -8.946 1.00 0.00 O ATOM 1049 CB ILE A 72 0.216 -0.891 -7.557 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.430 0.013 -7.317 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.608 -2.309 -7.094 1.00 0.00 C ATOM 1052 CD1 ILE A 72 1.092 1.443 -6.905 1.00 0.00 C ATOM 0 H ILE A 72 -0.805 0.991 -9.526 1.00 0.00 H new ATOM 0 HA ILE A 72 0.484 -1.613 -9.568 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.637 -0.496 -7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.052 -0.436 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.028 0.044 -8.228 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.896 -2.282 -6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.241 -2.981 -7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.446 -2.668 -7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.013 2.007 -6.758 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.498 1.916 -7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.523 1.429 -5.976 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.622 -2.823 -9.427 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.758 -3.694 -9.278 1.00 0.00 C ATOM 1066 C LEU A 73 -2.333 -4.561 -8.094 1.00 0.00 C ATOM 1067 O LEU A 73 -2.508 -4.126 -6.958 1.00 0.00 O ATOM 1068 CB LEU A 73 -3.114 -4.381 -10.601 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.538 -3.336 -11.661 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.749 -4.003 -13.012 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.825 -2.590 -11.300 1.00 0.00 C ATOM 0 H LEU A 73 -0.799 -3.318 -9.770 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.716 -3.223 -9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.257 -4.948 -10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.923 -5.093 -10.441 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.723 -2.613 -11.699 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.047 -3.253 -13.745 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.821 -4.476 -13.333 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.531 -4.758 -12.927 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.063 -1.874 -12.086 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.643 -3.303 -11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.687 -2.061 -10.357 1.00 0.00 H new ATOM 1083 N THR A 74 -1.630 -5.673 -8.304 1.00 0.00 N ATOM 1084 CA THR A 74 -1.266 -6.623 -7.255 1.00 0.00 C ATOM 1085 C THR A 74 0.187 -6.504 -6.796 1.00 0.00 C ATOM 1086 O THR A 74 0.926 -5.606 -7.194 1.00 0.00 O ATOM 1087 CB THR A 74 -1.590 -8.036 -7.766 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.370 -8.116 -9.167 1.00 0.00 O ATOM 1089 CG2 THR A 74 -3.036 -8.320 -7.391 1.00 0.00 C ATOM 0 H THR A 74 -1.291 -5.944 -9.227 1.00 0.00 H new ATOM 0 HA THR A 74 -1.850 -6.395 -6.363 1.00 0.00 H new ATOM 0 HB THR A 74 -0.941 -8.786 -7.314 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.578 -9.021 -9.480 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.312 -9.317 -7.735 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.148 -8.266 -6.308 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.685 -7.581 -7.861 1.00 0.00 H new ATOM 1097 N ALA A 75 0.609 -7.422 -5.925 1.00 0.00 N ATOM 1098 CA ALA A 75 1.948 -7.443 -5.377 1.00 0.00 C ATOM 1099 C ALA A 75 3.028 -7.599 -6.434 1.00 0.00 C ATOM 1100 O ALA A 75 3.992 -6.839 -6.401 1.00 0.00 O ATOM 1101 CB ALA A 75 2.034 -8.545 -4.320 1.00 0.00 C ATOM 0 H ALA A 75 0.016 -8.177 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 75 2.138 -6.473 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.040 -8.569 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.315 -8.345 -3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.809 -9.508 -4.779 1.00 0.00 H new ATOM 1107 N GLU A 76 2.880 -8.539 -7.367 1.00 0.00 N ATOM 1108 CA GLU A 76 3.826 -8.698 -8.473 1.00 0.00 C ATOM 1109 C GLU A 76 3.759 -7.527 -9.452 1.00 0.00 C ATOM 1110 O GLU A 76 4.704 -7.257 -10.189 1.00 0.00 O ATOM 1111 CB GLU A 76 3.530 -10.030 -9.172 1.00 0.00 C ATOM 1112 CG GLU A 76 4.469 -10.413 -10.328 1.00 0.00 C ATOM 1113 CD GLU A 76 3.713 -10.433 -11.657 1.00 0.00 C ATOM 1114 OE1 GLU A 76 3.123 -11.489 -11.986 1.00 0.00 O ATOM 1115 OE2 GLU A 76 3.650 -9.402 -12.360 1.00 0.00 O ATOM 0 H GLU A 76 2.109 -9.206 -7.379 1.00 0.00 H new ATOM 0 HA GLU A 76 4.843 -8.705 -8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.564 -10.824 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.510 -9.997 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.293 -9.702 -10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.906 -11.393 -10.138 1.00 0.00 H new ATOM 1122 N HIS A 77 2.678 -6.752 -9.395 1.00 0.00 N ATOM 1123 CA HIS A 77 2.584 -5.550 -10.192 1.00 0.00 C ATOM 1124 C HIS A 77 3.405 -4.427 -9.523 1.00 0.00 C ATOM 1125 O HIS A 77 3.604 -3.376 -10.141 1.00 0.00 O ATOM 1126 CB HIS A 77 1.108 -5.221 -10.349 1.00 0.00 C ATOM 1127 CG HIS A 77 0.820 -4.197 -11.392 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.187 -2.886 -11.317 1.00 0.00 N ATOM 1129 CD2 HIS A 77 -0.132 -4.309 -12.356 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.356 -2.183 -12.080 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.420 -3.013 -12.797 1.00 0.00 N ATOM 0 H HIS A 77 1.866 -6.940 -8.808 1.00 0.00 H new ATOM 0 HA HIS A 77 3.007 -5.677 -11.189 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.567 -6.135 -10.594 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.722 -4.868 -9.393 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.963 -2.511 -10.771 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.581 -5.224 -12.713 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.311 -1.105 -12.118 1.00 0.00 H new ATOM 1139 N ARG A 78 3.895 -4.617 -8.282 1.00 0.00 N ATOM 1140 CA ARG A 78 4.770 -3.671 -7.612 1.00 0.00 C ATOM 1141 C ARG A 78 6.175 -4.264 -7.486 1.00 0.00 C ATOM 1142 O ARG A 78 7.106 -3.714 -8.064 1.00 0.00 O ATOM 1143 CB ARG A 78 4.170 -3.228 -6.257 1.00 0.00 C ATOM 1144 CG ARG A 78 4.617 -1.831 -5.781 1.00 0.00 C ATOM 1145 CD ARG A 78 6.067 -1.514 -6.147 1.00 0.00 C ATOM 1146 NE ARG A 78 6.624 -0.319 -5.508 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.885 0.062 -5.735 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.583 -0.467 -6.728 1.00 0.00 N ATOM 1149 NH2 ARG A 78 8.458 0.939 -4.932 1.00 0.00 N ATOM 0 H ARG A 78 3.685 -5.444 -7.723 1.00 0.00 H new ATOM 0 HA ARG A 78 4.857 -2.764 -8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.083 -3.240 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.443 -3.960 -5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.964 -1.077 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.498 -1.766 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.687 -2.370 -5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.134 -1.393 -7.228 1.00 0.00 H new ATOM 0 HE ARG A 78 6.040 0.232 -4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.159 -1.173 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.544 -0.168 -6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.939 1.323 -4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.420 1.233 -5.101 1.00 0.00 H new ATOM 1163 N LEU A 79 6.393 -5.215 -6.571 1.00 0.00 N ATOM 1164 CA LEU A 79 7.648 -5.888 -6.370 1.00 0.00 C ATOM 1165 C LEU A 79 7.700 -7.159 -7.218 1.00 0.00 C ATOM 1166 O LEU A 79 6.793 -7.407 -8.002 1.00 0.00 O ATOM 1167 CB LEU A 79 7.787 -6.087 -4.860 1.00 0.00 C ATOM 1168 CG LEU A 79 6.602 -6.651 -4.051 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.289 -8.057 -4.484 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.957 -6.704 -2.549 1.00 0.00 C ATOM 0 H LEU A 79 5.664 -5.537 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 79 8.513 -5.317 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.637 -6.749 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.046 -5.121 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 79 5.747 -5.998 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.450 -8.439 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.029 -8.062 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.161 -8.690 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.112 -7.104 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.826 -7.346 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.185 -5.699 -2.193 1.00 0.00 H new ATOM 1182 N GLU A 80 8.709 -8.004 -6.998 1.00 0.00 N ATOM 1183 CA GLU A 80 8.955 -9.217 -7.782 1.00 0.00 C ATOM 1184 C GLU A 80 7.762 -10.187 -7.832 1.00 0.00 C ATOM 1185 O GLU A 80 7.644 -10.980 -8.769 1.00 0.00 O ATOM 1186 CB GLU A 80 10.202 -9.918 -7.215 1.00 0.00 C ATOM 1187 CG GLU A 80 9.912 -10.700 -5.918 1.00 0.00 C ATOM 1188 CD GLU A 80 11.153 -11.373 -5.328 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.940 -11.972 -6.098 1.00 0.00 O ATOM 1190 OE2 GLU A 80 11.289 -11.395 -4.086 1.00 0.00 O ATOM 0 H GLU A 80 9.393 -7.862 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 80 9.113 -8.911 -8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.601 -10.602 -7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.974 -9.174 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.490 -10.020 -5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.157 -11.459 -6.121 1.00 0.00 H new ATOM 1197 N GLY A 81 6.911 -10.151 -6.802 1.00 0.00 N ATOM 1198 CA GLY A 81 5.715 -10.935 -6.628 1.00 0.00 C ATOM 1199 C GLY A 81 5.689 -11.651 -5.292 1.00 0.00 C ATOM 1200 O GLY A 81 5.829 -12.872 -5.248 1.00 0.00 O ATOM 0 H GLY A 81 7.065 -9.520 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.843 -10.286 -6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.642 -11.667 -7.432 1.00 0.00 H new ATOM 1204 N ARG A 82 5.534 -10.894 -4.199 1.00 0.00 N ATOM 1205 CA ARG A 82 5.533 -11.442 -2.835 1.00 0.00 C ATOM 1206 C ARG A 82 4.557 -10.774 -1.872 1.00 0.00 C ATOM 1207 O ARG A 82 3.916 -11.501 -1.126 1.00 0.00 O ATOM 1208 CB ARG A 82 6.945 -11.431 -2.219 1.00 0.00 C ATOM 1209 CG ARG A 82 7.866 -12.452 -2.896 1.00 0.00 C ATOM 1210 CD ARG A 82 9.139 -12.685 -2.086 1.00 0.00 C ATOM 1211 NE ARG A 82 10.023 -13.656 -2.742 1.00 0.00 N ATOM 1212 CZ ARG A 82 9.932 -14.992 -2.675 1.00 0.00 C ATOM 1213 NH1 ARG A 82 8.857 -15.594 -2.169 1.00 0.00 N ATOM 1214 NH2 ARG A 82 10.944 -15.737 -3.092 1.00 0.00 N ATOM 0 H ARG A 82 5.405 -9.883 -4.234 1.00 0.00 H new ATOM 0 HA ARG A 82 5.185 -12.467 -2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.375 -10.434 -2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.879 -11.651 -1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.335 -13.396 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.128 -12.101 -3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.667 -11.740 -1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.878 -13.044 -1.090 1.00 0.00 H new ATOM 0 HE ARG A 82 10.783 -13.276 -3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.077 -15.037 -1.821 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.814 -16.612 -2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.785 -15.294 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.882 -16.754 -3.044 1.00 0.00 H new ATOM 1228 N PHE A 83 4.479 -9.441 -1.827 1.00 0.00 N ATOM 1229 CA PHE A 83 3.633 -8.648 -0.931 1.00 0.00 C ATOM 1230 C PHE A 83 3.414 -7.254 -1.539 1.00 0.00 C ATOM 1231 O PHE A 83 3.893 -6.943 -2.628 1.00 0.00 O ATOM 1232 CB PHE A 83 4.347 -8.458 0.420 1.00 0.00 C ATOM 1233 CG PHE A 83 4.296 -9.617 1.386 1.00 0.00 C ATOM 1234 CD1 PHE A 83 3.080 -9.917 2.028 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.469 -10.314 1.735 1.00 0.00 C ATOM 1236 CE1 PHE A 83 3.032 -10.904 3.023 1.00 0.00 C ATOM 1237 CE2 PHE A 83 5.415 -11.313 2.721 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.199 -11.606 3.359 1.00 0.00 C ATOM 0 H PHE A 83 5.035 -8.854 -2.449 1.00 0.00 H new ATOM 0 HA PHE A 83 2.683 -9.165 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.394 -8.227 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.916 -7.586 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.181 -9.385 1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.404 -10.082 1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.102 -11.122 3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.309 -11.856 2.989 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.162 -12.377 4.114 1.00 0.00 H new ATOM 1248 N THR A 84 2.726 -6.369 -0.836 1.00 0.00 N ATOM 1249 CA THR A 84 2.733 -4.951 -1.122 1.00 0.00 C ATOM 1250 C THR A 84 2.502 -4.225 0.206 1.00 0.00 C ATOM 1251 O THR A 84 1.532 -4.510 0.909 1.00 0.00 O ATOM 1252 CB THR A 84 1.707 -4.674 -2.228 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.432 -4.629 -3.439 1.00 0.00 O ATOM 1254 CG2 THR A 84 0.881 -3.401 -2.080 1.00 0.00 C ATOM 0 H THR A 84 2.140 -6.623 -0.041 1.00 0.00 H new ATOM 0 HA THR A 84 3.678 -4.578 -1.516 1.00 0.00 H new ATOM 0 HB THR A 84 0.964 -5.470 -2.182 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.120 -5.327 -3.434 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.192 -3.314 -2.920 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.315 -3.441 -1.150 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.545 -2.536 -2.064 1.00 0.00 H new ATOM 1262 N VAL A 85 3.414 -3.323 0.564 1.00 0.00 N ATOM 1263 CA VAL A 85 3.205 -2.349 1.634 1.00 0.00 C ATOM 1264 C VAL A 85 2.350 -1.230 1.054 1.00 0.00 C ATOM 1265 O VAL A 85 2.541 -0.856 -0.104 1.00 0.00 O ATOM 1266 CB VAL A 85 4.531 -1.731 2.129 1.00 0.00 C ATOM 1267 CG1 VAL A 85 4.357 -0.957 3.445 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.640 -2.769 2.304 1.00 0.00 C ATOM 0 H VAL A 85 4.327 -3.247 0.116 1.00 0.00 H new ATOM 0 HA VAL A 85 2.735 -2.850 2.480 1.00 0.00 H new ATOM 0 HB VAL A 85 4.829 -1.036 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.317 -0.541 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.641 -0.148 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.990 -1.632 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.547 -2.277 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.328 -3.515 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.836 -3.256 1.349 1.00 0.00 H new ATOM 1278 N ILE A 86 1.507 -0.618 1.872 1.00 0.00 N ATOM 1279 CA ILE A 86 0.712 0.546 1.543 1.00 0.00 C ATOM 1280 C ILE A 86 0.929 1.553 2.639 1.00 0.00 C ATOM 1281 O ILE A 86 0.225 1.536 3.645 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.763 0.147 1.469 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -1.046 -0.776 0.263 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.661 1.394 1.356 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.847 -0.063 -1.087 1.00 0.00 C ATOM 0 H ILE A 86 1.355 -0.938 2.828 1.00 0.00 H new ATOM 0 HA ILE A 86 0.999 0.966 0.579 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.989 -0.393 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.388 -1.644 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.069 -1.147 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.706 1.087 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.512 2.030 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.401 1.949 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.059 -0.757 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.524 0.789 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.183 0.285 -1.166 1.00 0.00 H new ATOM 1297 N ARG A 87 1.889 2.446 2.447 1.00 0.00 N ATOM 1298 CA ARG A 87 2.153 3.496 3.411 1.00 0.00 C ATOM 1299 C ARG A 87 1.275 4.661 2.997 1.00 0.00 C ATOM 1300 O ARG A 87 1.738 5.518 2.258 1.00 0.00 O ATOM 1301 CB ARG A 87 3.683 3.731 3.510 1.00 0.00 C ATOM 1302 CG ARG A 87 4.199 5.118 3.945 1.00 0.00 C ATOM 1303 CD ARG A 87 5.700 5.031 4.253 1.00 0.00 C ATOM 1304 NE ARG A 87 6.313 6.338 4.552 1.00 0.00 N ATOM 1305 CZ ARG A 87 7.086 7.095 3.760 1.00 0.00 C ATOM 1306 NH1 ARG A 87 7.274 6.802 2.476 1.00 0.00 N ATOM 1307 NH2 ARG A 87 7.662 8.168 4.280 1.00 0.00 N ATOM 0 H ARG A 87 2.498 2.461 1.629 1.00 0.00 H new ATOM 0 HA ARG A 87 1.887 3.265 4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.084 2.997 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.114 3.511 2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.020 5.848 3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.655 5.461 4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.851 4.364 5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.213 4.584 3.401 1.00 0.00 H new ATOM 0 HE ARG A 87 6.125 6.715 5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.824 5.982 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.868 7.397 1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.513 8.402 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.255 8.761 3.699 1.00 0.00 H new ATOM 1321 N ARG A 88 0.002 4.685 3.412 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.830 5.874 3.328 1.00 0.00 C ATOM 1323 C ARG A 88 -0.387 6.726 4.511 1.00 0.00 C ATOM 1324 O ARG A 88 -0.805 6.484 5.646 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.328 5.500 3.373 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.290 6.691 3.583 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.359 7.668 2.400 1.00 0.00 C ATOM 1328 NE ARG A 88 -3.204 9.080 2.817 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.862 10.141 2.322 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -5.047 10.040 1.734 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -3.301 11.343 2.403 1.00 0.00 N ATOM 0 H ARG A 88 -0.472 3.877 3.814 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.714 6.418 2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.591 5.000 2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.484 4.780 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.290 6.304 3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.981 7.239 4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.579 7.418 1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.314 7.547 1.889 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.527 9.266 3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.495 9.128 1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.510 10.874 1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.384 11.450 2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.788 12.159 2.032 1.00 0.00 H new ATOM 1345 N GLY A 89 0.481 7.704 4.268 1.00 0.00 N ATOM 1346 CA GLY A 89 0.826 8.713 5.255 1.00 0.00 C ATOM 1347 C GLY A 89 -0.454 9.355 5.790 1.00 0.00 C ATOM 1348 O GLY A 89 -1.416 9.547 5.038 1.00 0.00 O ATOM 0 H GLY A 89 0.964 7.816 3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.389 8.262 6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.467 9.472 4.807 1.00 0.00 H new ATOM 1352 N LYS A 90 -0.455 9.681 7.086 1.00 0.00 N ATOM 1353 CA LYS A 90 -1.589 10.100 7.915 1.00 0.00 C ATOM 1354 C LYS A 90 -2.614 8.981 8.189 1.00 0.00 C ATOM 1355 O LYS A 90 -3.551 9.222 8.950 1.00 0.00 O ATOM 1356 CB LYS A 90 -2.173 11.444 7.406 1.00 0.00 C ATOM 1357 CG LYS A 90 -3.309 12.083 8.229 1.00 0.00 C ATOM 1358 CD LYS A 90 -2.983 12.315 9.716 1.00 0.00 C ATOM 1359 CE LYS A 90 -4.252 12.560 10.545 1.00 0.00 C ATOM 1360 NZ LYS A 90 -5.007 13.760 10.114 1.00 0.00 N ATOM 0 H LYS A 90 0.409 9.657 7.627 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.214 10.303 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.357 12.164 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.539 11.289 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.572 13.039 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.190 11.445 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.452 11.449 10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.315 13.171 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.899 11.686 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.978 12.669 11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.842 13.881 10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.398 14.600 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.311 13.643 9.127 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.428 7.758 7.679 1.00 0.00 N ATOM 1375 CA LYS A 91 -3.159 6.575 8.132 1.00 0.00 C ATOM 1376 C LYS A 91 -2.133 5.612 8.706 1.00 0.00 C ATOM 1377 O LYS A 91 -1.653 5.860 9.811 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.043 6.024 6.993 1.00 0.00 C ATOM 1379 CG LYS A 91 -5.120 5.028 7.454 1.00 0.00 C ATOM 1380 CD LYS A 91 -6.331 5.751 8.071 1.00 0.00 C ATOM 1381 CE LYS A 91 -7.577 4.865 8.199 1.00 0.00 C ATOM 1382 NZ LYS A 91 -7.375 3.700 9.082 1.00 0.00 N ATOM 0 H LYS A 91 -1.759 7.563 6.934 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.873 6.791 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.529 6.860 6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.404 5.536 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.447 4.427 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.693 4.342 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.057 6.123 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.575 6.620 7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.403 5.464 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.869 4.516 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.274 3.190 9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.666 3.065 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.042 4.023 10.013 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.774 4.533 8.010 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.744 3.622 8.415 1.00 0.00 C ATOM 1398 C LYS A 92 -0.186 2.953 7.164 1.00 0.00 C ATOM 1399 O LYS A 92 -0.463 3.351 6.020 1.00 0.00 O ATOM 1400 CB LYS A 92 -1.346 2.637 9.439 1.00 0.00 C ATOM 1401 CG LYS A 92 -0.352 1.969 10.410 1.00 0.00 C ATOM 1402 CD LYS A 92 0.631 2.924 11.101 1.00 0.00 C ATOM 1403 CE LYS A 92 -0.071 3.896 12.057 1.00 0.00 C ATOM 1404 NZ LYS A 92 -0.195 3.301 13.408 1.00 0.00 N ATOM 0 H LYS A 92 -2.214 4.276 7.126 1.00 0.00 H new ATOM 0 HA LYS A 92 0.091 4.119 8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.094 3.169 10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.870 1.853 8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.918 1.439 11.176 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.219 1.220 9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.369 2.343 11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.174 3.491 10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.492 4.828 12.114 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.060 4.144 11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.201 3.205 13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.255 2.363 13.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.274 3.917 14.103 1.00 0.00 H new ATOM 1418 N TYR A 93 0.654 1.968 7.433 1.00 0.00 N ATOM 1419 CA TYR A 93 1.448 1.227 6.483 1.00 0.00 C ATOM 1420 C TYR A 93 0.952 -0.207 6.477 1.00 0.00 C ATOM 1421 O TYR A 93 1.452 -1.049 7.214 1.00 0.00 O ATOM 1422 CB TYR A 93 2.944 1.311 6.745 1.00 0.00 C ATOM 1423 CG TYR A 93 3.554 2.646 7.166 1.00 0.00 C ATOM 1424 CD1 TYR A 93 2.942 3.884 6.880 1.00 0.00 C ATOM 1425 CD2 TYR A 93 4.762 2.643 7.891 1.00 0.00 C ATOM 1426 CE1 TYR A 93 3.496 5.085 7.345 1.00 0.00 C ATOM 1427 CE2 TYR A 93 5.349 3.845 8.321 1.00 0.00 C ATOM 1428 CZ TYR A 93 4.704 5.075 8.069 1.00 0.00 C ATOM 1429 OH TYR A 93 5.205 6.259 8.518 1.00 0.00 O ATOM 0 H TYR A 93 0.805 1.647 8.389 1.00 0.00 H new ATOM 0 HA TYR A 93 1.321 1.676 5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.182 0.583 7.520 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.454 0.989 5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.034 3.907 6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.244 1.704 8.119 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.995 6.021 7.147 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.294 3.828 8.844 1.00 0.00 H new ATOM 0 HH TYR A 93 6.042 6.098 9.002 1.00 0.00 H new ATOM 1439 N TYR A 94 -0.107 -0.448 5.723 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.776 -1.727 5.678 1.00 0.00 C ATOM 1441 C TYR A 94 -0.005 -2.681 4.785 1.00 0.00 C ATOM 1442 O TYR A 94 0.893 -2.270 4.045 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.186 -1.472 5.178 1.00 0.00 C ATOM 1444 CG TYR A 94 -3.054 -0.680 6.139 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.945 0.725 6.203 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -4.015 -1.344 6.923 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -3.808 1.463 7.026 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -4.884 -0.610 7.746 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.779 0.797 7.805 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.615 1.524 8.591 1.00 0.00 O ATOM 0 H TYR A 94 -0.529 0.255 5.116 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.823 -2.198 6.660 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.132 -0.937 4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.667 -2.429 4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.195 1.234 5.616 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.084 -2.421 6.892 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.730 2.540 7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.632 -1.121 8.334 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.226 0.921 9.064 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.391 -3.950 4.839 1.00 0.00 N ATOM 1461 CA LEU A 95 0.274 -5.034 4.147 1.00 0.00 C ATOM 1462 C LEU A 95 -0.766 -5.845 3.402 1.00 0.00 C ATOM 1463 O LEU A 95 -1.831 -6.148 3.934 1.00 0.00 O ATOM 1464 CB LEU A 95 1.022 -5.892 5.166 1.00 0.00 C ATOM 1465 CG LEU A 95 1.662 -7.162 4.581 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.575 -6.819 3.401 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.485 -7.877 5.654 1.00 0.00 C ATOM 0 H LEU A 95 -1.198 -4.256 5.382 1.00 0.00 H new ATOM 0 HA LEU A 95 0.997 -4.650 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.802 -5.287 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.330 -6.180 5.957 1.00 0.00 H new ATOM 0 HG LEU A 95 0.860 -7.813 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.016 -7.733 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.993 -6.329 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.367 -6.150 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.934 -8.775 5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.271 -7.213 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.837 -8.154 6.486 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.462 -6.192 2.163 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.380 -6.846 1.255 1.00 0.00 C ATOM 1481 C ILE A 96 -0.630 -7.988 0.584 1.00 0.00 C ATOM 1482 O ILE A 96 0.508 -7.817 0.134 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.950 -5.804 0.264 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.594 -4.645 1.071 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.942 -6.502 -0.679 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.414 -3.617 0.302 1.00 0.00 C ATOM 0 H ILE A 96 0.456 -6.021 1.753 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.241 -7.272 1.770 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.165 -5.372 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.237 -5.084 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.796 -4.116 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.349 -5.775 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.428 -7.290 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.754 -6.937 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.801 -2.869 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.783 -3.131 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.246 -4.114 -0.197 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.273 -9.152 0.512 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.796 -10.297 -0.254 1.00 0.00 C ATOM 1500 C ARG A 97 -1.909 -10.948 -1.062 1.00 0.00 C ATOM 1501 O ARG A 97 -3.078 -10.545 -1.069 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.143 -11.330 0.686 1.00 0.00 C ATOM 1503 CG ARG A 97 1.094 -12.004 0.102 1.00 0.00 C ATOM 1504 CD ARG A 97 1.534 -13.155 1.003 1.00 0.00 C ATOM 1505 NE ARG A 97 2.965 -13.423 0.847 1.00 0.00 N ATOM 1506 CZ ARG A 97 3.656 -14.334 1.538 1.00 0.00 C ATOM 1507 NH1 ARG A 97 3.046 -15.185 2.355 1.00 0.00 N ATOM 1508 NH2 ARG A 97 4.976 -14.373 1.421 1.00 0.00 N ATOM 0 H ARG A 97 -2.155 -9.327 0.993 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.052 -9.931 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.131 -10.836 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.878 -12.095 0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.877 -12.377 -0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.902 -11.279 0.004 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.317 -12.911 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.963 -14.051 0.760 1.00 0.00 H new ATOM 0 HE ARG A 97 3.474 -12.871 0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.032 -15.150 2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.591 -15.873 2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.453 -13.712 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.514 -15.064 1.944 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.516 -12.041 -1.689 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.378 -13.009 -2.271 1.00 0.00 C ATOM 1524 C TYR A 98 -2.125 -14.391 -1.689 1.00 0.00 C ATOM 1525 O TYR A 98 -1.053 -14.679 -1.147 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.227 -12.986 -3.786 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.871 -12.615 -4.353 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.289 -13.334 -3.995 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.797 -11.582 -5.303 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.524 -13.011 -4.581 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.417 -11.300 -5.942 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.581 -12.002 -5.566 1.00 0.00 C ATOM 1533 OH TYR A 98 2.758 -11.700 -6.162 1.00 0.00 O ATOM 0 H TYR A 98 -0.530 -12.274 -1.803 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.411 -12.757 -2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.490 -13.974 -4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.961 -12.286 -4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.227 -14.133 -3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.678 -11.004 -5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.422 -13.530 -4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.461 -10.550 -6.718 1.00 0.00 H new ATOM 0 HH TYR A 98 2.949 -12.359 -6.861 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.145 -15.228 -1.832 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.201 -16.628 -1.541 1.00 0.00 C ATOM 1545 C ALA A 99 -3.490 -17.366 -2.842 1.00 0.00 C ATOM 1546 O ALA A 99 -3.816 -16.743 -3.862 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.279 -16.901 -0.486 1.00 0.00 C ATOM 0 H ALA A 99 -4.038 -14.893 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.254 -16.978 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.315 -17.969 -0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.042 -16.354 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.248 -16.574 -0.863 1.00 0.00 H new