USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 19 THR OG1 : rot 53:sc= -5.8! USER MOD Set 1.2: A 60 THR OG1 : rot -139:sc= 0.00813 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= 0.306 (180deg=-1.41!) USER MOD Single : A 32 SER OG : rot 180:sc= -1.29 USER MOD Single : A 41 ASN : amide:sc= -5.88! C(o=-5.9!,f=-15!) USER MOD Single : A 42 LYS NZ :NH3+ 142:sc= -2.41! (180deg=-5.31!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.311 F(o=-1.6,f=-0.31) USER MOD Single : A 52 ASN :FLIP amide:sc= 0.633 F(o=-0.52,f=0.63) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.332 F(o=-1.1,f=-0.33) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -3.51! C(o=-3.5!,f=-16!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00702 X(o=-0.007,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0524 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 101:sc= 0.196 USER MOD Single : A 79 THR OG1 : rot -100:sc= -1.23! USER MOD Single : A 80 HIS : no HE2:sc= -3.48! C(o=-3.5!,f=-3.4!) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.942 F(o=-2!,f=-0.94) USER MOD Single : A 89 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.85) USER MOD Single : A 95 GLN :FLIP amide:sc= -1.72 F(o=-4.2!,f=-1.7) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.533 -6.913 2.944 1.00 0.00 N ATOM 206 CA HIS A 17 5.355 -6.212 3.915 1.00 0.00 C ATOM 207 C HIS A 17 4.808 -4.799 4.127 1.00 0.00 C ATOM 208 O HIS A 17 4.738 -4.010 3.186 1.00 0.00 O ATOM 209 CB HIS A 17 6.825 -6.222 3.491 1.00 0.00 C ATOM 210 CG HIS A 17 7.745 -5.502 4.447 1.00 0.00 C ATOM 211 ND1 HIS A 17 8.117 -6.030 5.671 1.00 0.00 N ATOM 212 CD2 HIS A 17 8.365 -4.291 4.347 1.00 0.00 C ATOM 213 CE1 HIS A 17 8.923 -5.167 6.272 1.00 0.00 C ATOM 214 NE2 HIS A 17 9.075 -4.090 5.450 1.00 0.00 N ATOM 0 HA HIS A 17 5.311 -6.728 4.874 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.157 -7.256 3.392 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.911 -5.764 2.506 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.291 -3.611 3.511 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.379 -5.294 7.243 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.641 -3.265 5.650 1.00 0.00 H new ATOM 222 N VAL A 18 4.434 -4.523 5.367 1.00 0.00 N ATOM 223 CA VAL A 18 3.896 -3.219 5.714 1.00 0.00 C ATOM 224 C VAL A 18 5.040 -2.206 5.801 1.00 0.00 C ATOM 225 O VAL A 18 6.124 -2.529 6.282 1.00 0.00 O ATOM 226 CB VAL A 18 3.083 -3.315 7.007 1.00 0.00 C ATOM 227 CG1 VAL A 18 3.983 -3.151 8.233 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.948 -2.289 7.019 1.00 0.00 C ATOM 0 H VAL A 18 4.493 -5.181 6.145 1.00 0.00 H new ATOM 0 HA VAL A 18 3.212 -2.871 4.941 1.00 0.00 H new ATOM 0 HB VAL A 18 2.636 -4.308 7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.381 -3.223 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.739 -3.936 8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.471 -2.177 8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.386 -2.379 7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.365 -1.285 6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.284 -2.472 6.174 1.00 0.00 H new ATOM 238 N THR A 19 4.758 -1.002 5.326 1.00 0.00 N ATOM 239 CA THR A 19 5.750 0.060 5.344 1.00 0.00 C ATOM 240 C THR A 19 5.215 1.277 6.101 1.00 0.00 C ATOM 241 O THR A 19 4.283 1.937 5.644 1.00 0.00 O ATOM 242 CB THR A 19 6.139 0.368 3.897 1.00 0.00 C ATOM 243 OG1 THR A 19 7.174 -0.568 3.609 1.00 0.00 O ATOM 244 CG2 THR A 19 6.817 1.731 3.750 1.00 0.00 C ATOM 0 H THR A 19 3.857 -0.738 4.926 1.00 0.00 H new ATOM 0 HA THR A 19 6.648 -0.247 5.879 1.00 0.00 H new ATOM 0 HB THR A 19 5.250 0.336 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.864 -1.473 3.820 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.072 1.899 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.138 2.514 4.088 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.725 1.753 4.353 1.00 0.00 H new ATOM 252 N ILE A 20 5.827 1.538 7.247 1.00 0.00 N ATOM 253 CA ILE A 20 5.424 2.663 8.072 1.00 0.00 C ATOM 254 C ILE A 20 6.313 3.868 7.754 1.00 0.00 C ATOM 255 O ILE A 20 7.533 3.795 7.885 1.00 0.00 O ATOM 256 CB ILE A 20 5.427 2.272 9.551 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.485 1.094 9.808 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.095 3.474 10.437 1.00 0.00 C ATOM 259 CD1 ILE A 20 3.084 1.383 9.265 1.00 0.00 C ATOM 0 H ILE A 20 6.600 0.989 7.623 1.00 0.00 H new ATOM 0 HA ILE A 20 4.398 2.953 7.844 1.00 0.00 H new ATOM 0 HB ILE A 20 6.433 1.945 9.816 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.883 0.196 9.336 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.430 0.895 10.878 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.104 3.168 11.483 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.837 4.257 10.281 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.107 3.855 10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.435 0.530 9.461 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.679 2.268 9.756 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.139 1.558 8.191 1.00 0.00 H new ATOM 271 N LEU A 21 5.665 4.948 7.341 1.00 0.00 N ATOM 272 CA LEU A 21 6.381 6.166 7.003 1.00 0.00 C ATOM 273 C LEU A 21 6.098 7.230 8.065 1.00 0.00 C ATOM 274 O LEU A 21 4.941 7.508 8.377 1.00 0.00 O ATOM 275 CB LEU A 21 6.039 6.611 5.579 1.00 0.00 C ATOM 276 CG LEU A 21 6.538 5.702 4.454 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.908 5.111 4.794 1.00 0.00 C ATOM 278 CD2 LEU A 21 5.510 4.617 4.129 1.00 0.00 C ATOM 0 H LEU A 21 4.652 5.004 7.233 1.00 0.00 H new ATOM 0 HA LEU A 21 7.457 5.990 7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.955 6.696 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.450 7.608 5.423 1.00 0.00 H new ATOM 0 HG LEU A 21 6.662 6.307 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.240 4.469 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.627 5.918 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.834 4.525 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.890 3.985 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.330 4.009 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.577 5.083 3.813 1.00 0.00 H new ATOM 290 N HIS A 22 7.174 7.797 8.590 1.00 0.00 N ATOM 291 CA HIS A 22 7.056 8.825 9.610 1.00 0.00 C ATOM 292 C HIS A 22 7.199 10.205 8.967 1.00 0.00 C ATOM 293 O HIS A 22 8.258 10.542 8.439 1.00 0.00 O ATOM 294 CB HIS A 22 8.063 8.589 10.738 1.00 0.00 C ATOM 295 CG HIS A 22 7.975 7.218 11.363 1.00 0.00 C ATOM 296 ND1 HIS A 22 6.976 6.862 12.252 1.00 0.00 N ATOM 297 CD2 HIS A 22 8.771 6.120 11.219 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.172 5.605 12.620 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.285 5.146 11.980 1.00 0.00 N ATOM 0 H HIS A 22 8.132 7.564 8.328 1.00 0.00 H new ATOM 0 HA HIS A 22 6.068 8.777 10.067 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.070 8.735 10.348 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.908 9.341 11.512 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.648 6.054 10.592 1.00 0.00 H new ATOM 0 HE1 HIS A 22 6.558 5.042 13.307 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.679 4.210 12.071 1.00 0.00 H new ATOM 307 N LYS A 23 6.117 10.968 9.031 1.00 0.00 N ATOM 308 CA LYS A 23 6.108 12.304 8.461 1.00 0.00 C ATOM 309 C LYS A 23 5.299 13.235 9.367 1.00 0.00 C ATOM 310 O LYS A 23 4.664 12.783 10.319 1.00 0.00 O ATOM 311 CB LYS A 23 5.608 12.267 7.016 1.00 0.00 C ATOM 312 CG LYS A 23 4.081 12.199 6.965 1.00 0.00 C ATOM 313 CD LYS A 23 3.612 11.149 5.955 1.00 0.00 C ATOM 314 CE LYS A 23 2.182 10.697 6.259 1.00 0.00 C ATOM 315 NZ LYS A 23 1.279 11.866 6.358 1.00 0.00 N ATOM 0 H LYS A 23 5.240 10.686 9.469 1.00 0.00 H new ATOM 0 HA LYS A 23 7.121 12.704 8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.954 13.154 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.031 11.403 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.691 11.957 7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.679 13.175 6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.661 11.561 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.282 10.290 5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.832 10.025 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.163 10.135 7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.300 11.565 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.343 12.274 7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.559 12.581 5.656 1.00 0.00 H new ATOM 329 N GLU A 24 5.349 14.518 9.040 1.00 0.00 N ATOM 330 CA GLU A 24 4.629 15.516 9.812 1.00 0.00 C ATOM 331 C GLU A 24 3.241 15.751 9.213 1.00 0.00 C ATOM 332 O GLU A 24 2.959 15.310 8.100 1.00 0.00 O ATOM 333 CB GLU A 24 5.421 16.822 9.893 1.00 0.00 C ATOM 334 CG GLU A 24 6.602 16.690 10.856 1.00 0.00 C ATOM 335 CD GLU A 24 6.973 18.046 11.459 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.045 18.721 11.953 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.178 18.377 11.412 1.00 0.00 O ATOM 0 H GLU A 24 5.877 14.889 8.250 1.00 0.00 H new ATOM 0 HA GLU A 24 4.505 15.142 10.828 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.784 17.093 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.766 17.628 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.349 15.991 11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.461 16.275 10.329 1.00 0.00 H new ATOM 344 N GLU A 25 2.412 16.447 9.977 1.00 0.00 N ATOM 345 CA GLU A 25 1.061 16.746 9.535 1.00 0.00 C ATOM 346 C GLU A 25 1.094 17.558 8.239 1.00 0.00 C ATOM 347 O GLU A 25 1.352 18.760 8.261 1.00 0.00 O ATOM 348 CB GLU A 25 0.279 17.484 10.624 1.00 0.00 C ATOM 349 CG GLU A 25 -0.607 16.518 11.413 1.00 0.00 C ATOM 350 CD GLU A 25 -1.477 17.271 12.422 1.00 0.00 C ATOM 351 OE1 GLU A 25 -0.922 18.168 13.091 1.00 0.00 O ATOM 352 OE2 GLU A 25 -2.677 16.932 12.500 1.00 0.00 O ATOM 0 H GLU A 25 2.650 16.812 10.899 1.00 0.00 H new ATOM 0 HA GLU A 25 0.547 15.805 9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.973 17.982 11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.337 18.261 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.242 15.958 10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.016 15.792 11.935 1.00 0.00 H new ATOM 359 N GLY A 26 0.829 16.868 7.139 1.00 0.00 N ATOM 360 CA GLY A 26 0.825 17.509 5.835 1.00 0.00 C ATOM 361 C GLY A 26 2.233 17.545 5.238 1.00 0.00 C ATOM 362 O GLY A 26 2.561 18.443 4.464 1.00 0.00 O ATOM 0 H GLY A 26 0.615 15.871 7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.155 16.972 5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.439 18.524 5.926 1.00 0.00 H new ATOM 366 N ALA A 27 3.028 16.556 5.619 1.00 0.00 N ATOM 367 CA ALA A 27 4.394 16.462 5.130 1.00 0.00 C ATOM 368 C ALA A 27 4.402 15.719 3.793 1.00 0.00 C ATOM 369 O ALA A 27 5.218 16.014 2.920 1.00 0.00 O ATOM 370 CB ALA A 27 5.267 15.778 6.183 1.00 0.00 C ATOM 0 H ALA A 27 2.753 15.812 6.261 1.00 0.00 H new ATOM 0 HA ALA A 27 4.810 17.455 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.291 15.707 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.250 16.361 7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.882 14.777 6.380 1.00 0.00 H new ATOM 376 N GLY A 28 3.485 14.770 3.673 1.00 0.00 N ATOM 377 CA GLY A 28 3.377 13.983 2.457 1.00 0.00 C ATOM 378 C GLY A 28 4.144 12.666 2.586 1.00 0.00 C ATOM 379 O GLY A 28 4.980 12.515 3.476 1.00 0.00 O ATOM 0 H GLY A 28 2.810 14.529 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.328 13.778 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.767 14.554 1.614 1.00 0.00 H new ATOM 383 N LEU A 29 3.833 11.746 1.685 1.00 0.00 N ATOM 384 CA LEU A 29 4.483 10.446 1.687 1.00 0.00 C ATOM 385 C LEU A 29 5.752 10.514 0.835 1.00 0.00 C ATOM 386 O LEU A 29 6.811 10.049 1.254 1.00 0.00 O ATOM 387 CB LEU A 29 3.504 9.357 1.247 1.00 0.00 C ATOM 388 CG LEU A 29 2.024 9.632 1.524 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.150 8.477 1.033 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.792 9.937 3.006 1.00 0.00 C ATOM 0 H LEU A 29 3.139 11.875 0.948 1.00 0.00 H new ATOM 0 HA LEU A 29 4.791 10.175 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.629 9.195 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.779 8.427 1.744 1.00 0.00 H new ATOM 0 HG LEU A 29 1.730 10.519 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.103 8.698 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.286 8.349 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.437 7.560 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.733 10.129 3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.108 9.084 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.370 10.816 3.292 1.00 0.00 H new ATOM 402 N GLY A 30 5.603 11.096 -0.346 1.00 0.00 N ATOM 403 CA GLY A 30 6.724 11.231 -1.260 1.00 0.00 C ATOM 404 C GLY A 30 6.413 10.577 -2.608 1.00 0.00 C ATOM 405 O GLY A 30 7.225 10.632 -3.531 1.00 0.00 O ATOM 0 H GLY A 30 4.723 11.479 -0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.953 12.286 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.611 10.771 -0.824 1.00 0.00 H new ATOM 409 N PHE A 31 5.235 9.974 -2.680 1.00 0.00 N ATOM 410 CA PHE A 31 4.807 9.311 -3.900 1.00 0.00 C ATOM 411 C PHE A 31 3.336 9.607 -4.197 1.00 0.00 C ATOM 412 O PHE A 31 2.625 10.151 -3.354 1.00 0.00 O ATOM 413 CB PHE A 31 4.976 7.807 -3.674 1.00 0.00 C ATOM 414 CG PHE A 31 3.898 7.186 -2.785 1.00 0.00 C ATOM 415 CD1 PHE A 31 3.943 7.361 -1.437 1.00 0.00 C ATOM 416 CD2 PHE A 31 2.893 6.457 -3.342 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.942 6.785 -0.611 1.00 0.00 C ATOM 418 CE2 PHE A 31 1.892 5.881 -2.517 1.00 0.00 C ATOM 419 CZ PHE A 31 1.937 6.057 -1.169 1.00 0.00 C ATOM 0 H PHE A 31 4.564 9.931 -1.913 1.00 0.00 H new ATOM 0 HA PHE A 31 5.399 9.665 -4.744 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.971 7.302 -4.640 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.952 7.625 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.741 7.939 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.857 6.317 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.978 6.925 0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.094 5.303 -2.960 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.175 5.619 -0.542 1.00 0.00 H new ATOM 429 N SER A 32 2.922 9.236 -5.400 1.00 0.00 N ATOM 430 CA SER A 32 1.548 9.455 -5.820 1.00 0.00 C ATOM 431 C SER A 32 0.886 8.119 -6.162 1.00 0.00 C ATOM 432 O SER A 32 1.535 7.075 -6.131 1.00 0.00 O ATOM 433 CB SER A 32 1.484 10.403 -7.020 1.00 0.00 C ATOM 434 OG SER A 32 0.681 9.876 -8.073 1.00 0.00 O ATOM 0 H SER A 32 3.514 8.785 -6.097 1.00 0.00 H new ATOM 0 HA SER A 32 1.008 9.919 -4.995 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.080 11.364 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.492 10.588 -7.390 1.00 0.00 H new ATOM 0 HG SER A 32 0.663 10.510 -8.820 1.00 0.00 H new ATOM 440 N LEU A 33 -0.398 8.196 -6.480 1.00 0.00 N ATOM 441 CA LEU A 33 -1.155 7.006 -6.828 1.00 0.00 C ATOM 442 C LEU A 33 -1.318 6.936 -8.348 1.00 0.00 C ATOM 443 O LEU A 33 -1.227 7.953 -9.033 1.00 0.00 O ATOM 444 CB LEU A 33 -2.481 6.972 -6.065 1.00 0.00 C ATOM 445 CG LEU A 33 -2.378 7.020 -4.539 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.575 6.325 -3.887 1.00 0.00 C ATOM 447 CD2 LEU A 33 -1.046 6.437 -4.061 1.00 0.00 C ATOM 0 H LEU A 33 -0.933 9.064 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.615 6.109 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.089 7.814 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.015 6.064 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.403 8.064 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.477 6.373 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.495 6.824 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.606 5.282 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.998 6.483 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.966 5.399 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.224 7.013 -4.485 1.00 0.00 H new ATOM 459 N ALA A 34 -1.557 5.725 -8.830 1.00 0.00 N ATOM 460 CA ALA A 34 -1.734 5.510 -10.256 1.00 0.00 C ATOM 461 C ALA A 34 -2.827 4.462 -10.477 1.00 0.00 C ATOM 462 O ALA A 34 -3.037 3.591 -9.635 1.00 0.00 O ATOM 463 CB ALA A 34 -0.398 5.099 -10.880 1.00 0.00 C ATOM 0 H ALA A 34 -1.632 4.883 -8.259 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.054 6.429 -10.746 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.530 4.938 -11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.336 5.889 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.047 4.178 -10.415 1.00 0.00 H new ATOM 469 N GLY A 35 -3.495 4.582 -11.616 1.00 0.00 N ATOM 470 CA GLY A 35 -4.561 3.657 -11.958 1.00 0.00 C ATOM 471 C GLY A 35 -5.855 4.014 -11.223 1.00 0.00 C ATOM 472 O GLY A 35 -5.869 4.916 -10.387 1.00 0.00 O ATOM 0 H GLY A 35 -3.318 5.306 -12.313 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.733 3.677 -13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.262 2.641 -11.702 1.00 0.00 H new ATOM 476 N GLY A 36 -6.910 3.289 -11.562 1.00 0.00 N ATOM 477 CA GLY A 36 -8.205 3.518 -10.945 1.00 0.00 C ATOM 478 C GLY A 36 -9.193 2.409 -11.314 1.00 0.00 C ATOM 479 O GLY A 36 -8.800 1.381 -11.864 1.00 0.00 O ATOM 0 H GLY A 36 -6.895 2.542 -12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.093 3.564 -9.862 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.599 4.482 -11.266 1.00 0.00 H new ATOM 483 N ALA A 37 -10.456 2.655 -10.997 1.00 0.00 N ATOM 484 CA ALA A 37 -11.502 1.691 -11.288 1.00 0.00 C ATOM 485 C ALA A 37 -11.945 1.850 -12.744 1.00 0.00 C ATOM 486 O ALA A 37 -12.083 0.863 -13.466 1.00 0.00 O ATOM 487 CB ALA A 37 -12.658 1.878 -10.303 1.00 0.00 C ATOM 0 H ALA A 37 -10.778 3.509 -10.541 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.131 0.673 -11.165 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.443 1.154 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.297 1.726 -9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.058 2.887 -10.399 1.00 0.00 H new ATOM 493 N ASP A 38 -12.156 3.099 -13.132 1.00 0.00 N ATOM 494 CA ASP A 38 -12.581 3.400 -14.489 1.00 0.00 C ATOM 495 C ASP A 38 -11.407 3.182 -15.446 1.00 0.00 C ATOM 496 O ASP A 38 -11.592 3.138 -16.661 1.00 0.00 O ATOM 497 CB ASP A 38 -13.030 4.857 -14.615 1.00 0.00 C ATOM 498 CG ASP A 38 -13.676 5.221 -15.953 1.00 0.00 C ATOM 499 OD1 ASP A 38 -14.474 4.392 -16.442 1.00 0.00 O ATOM 500 OD2 ASP A 38 -13.357 6.319 -16.457 1.00 0.00 O ATOM 0 H ASP A 38 -12.041 3.915 -12.530 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.415 2.743 -14.735 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.739 5.073 -13.816 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.166 5.503 -14.458 1.00 0.00 H new ATOM 505 N LEU A 39 -10.225 3.052 -14.862 1.00 0.00 N ATOM 506 CA LEU A 39 -9.021 2.841 -15.648 1.00 0.00 C ATOM 507 C LEU A 39 -8.887 1.352 -15.976 1.00 0.00 C ATOM 508 O LEU A 39 -9.780 0.563 -15.673 1.00 0.00 O ATOM 509 CB LEU A 39 -7.803 3.424 -14.929 1.00 0.00 C ATOM 510 CG LEU A 39 -7.740 4.950 -14.846 1.00 0.00 C ATOM 511 CD1 LEU A 39 -8.940 5.507 -14.077 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.411 5.413 -14.247 1.00 0.00 C ATOM 0 H LEU A 39 -10.075 3.089 -13.854 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.087 3.373 -16.597 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.778 3.024 -13.916 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.904 3.070 -15.434 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.792 5.349 -15.859 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.871 6.594 -14.032 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.862 5.222 -14.585 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.944 5.102 -13.065 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.393 6.502 -14.200 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.303 5.004 -13.242 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.589 5.063 -14.872 1.00 0.00 H new ATOM 524 N GLU A 40 -7.764 1.014 -16.592 1.00 0.00 N ATOM 525 CA GLU A 40 -7.502 -0.366 -16.966 1.00 0.00 C ATOM 526 C GLU A 40 -7.006 -1.158 -15.754 1.00 0.00 C ATOM 527 O GLU A 40 -7.307 -2.343 -15.618 1.00 0.00 O ATOM 528 CB GLU A 40 -6.497 -0.440 -18.117 1.00 0.00 C ATOM 529 CG GLU A 40 -6.991 0.355 -19.328 1.00 0.00 C ATOM 530 CD GLU A 40 -7.306 -0.573 -20.502 1.00 0.00 C ATOM 531 OE1 GLU A 40 -6.349 -0.913 -21.230 1.00 0.00 O ATOM 532 OE2 GLU A 40 -8.498 -0.922 -20.646 1.00 0.00 O ATOM 0 H GLU A 40 -7.025 1.671 -16.842 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.434 -0.813 -17.312 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.534 -0.049 -17.789 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.339 -1.481 -18.400 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.883 0.920 -19.057 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.233 1.079 -19.626 1.00 0.00 H new ATOM 539 N ASN A 41 -6.256 -0.472 -14.905 1.00 0.00 N ATOM 540 CA ASN A 41 -5.716 -1.097 -13.709 1.00 0.00 C ATOM 541 C ASN A 41 -6.653 -0.827 -12.530 1.00 0.00 C ATOM 542 O ASN A 41 -6.569 0.223 -11.894 1.00 0.00 O ATOM 543 CB ASN A 41 -4.341 -0.524 -13.361 1.00 0.00 C ATOM 544 CG ASN A 41 -4.336 1.001 -13.481 1.00 0.00 C ATOM 545 OD1 ASN A 41 -5.361 1.640 -13.652 1.00 0.00 O ATOM 546 ND2 ASN A 41 -3.127 1.548 -13.383 1.00 0.00 N ATOM 0 H ASN A 41 -6.009 0.511 -15.021 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.623 -2.166 -13.900 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.069 -0.813 -12.346 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.588 -0.947 -14.026 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.018 2.560 -13.451 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.309 0.955 -13.240 1.00 0.00 H new ATOM 553 N LYS A 42 -7.524 -1.792 -12.275 1.00 0.00 N ATOM 554 CA LYS A 42 -8.475 -1.672 -11.183 1.00 0.00 C ATOM 555 C LYS A 42 -7.724 -1.353 -9.889 1.00 0.00 C ATOM 556 O LYS A 42 -8.133 -0.478 -9.129 1.00 0.00 O ATOM 557 CB LYS A 42 -9.350 -2.924 -11.094 1.00 0.00 C ATOM 558 CG LYS A 42 -10.474 -2.736 -10.073 1.00 0.00 C ATOM 559 CD LYS A 42 -11.401 -1.590 -10.483 1.00 0.00 C ATOM 560 CE LYS A 42 -12.864 -2.036 -10.465 1.00 0.00 C ATOM 561 NZ LYS A 42 -13.732 -0.987 -11.046 1.00 0.00 N ATOM 0 H LYS A 42 -7.591 -2.660 -12.806 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.161 -0.844 -11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.776 -3.145 -12.073 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.738 -3.781 -10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.048 -3.659 -9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.048 -2.530 -9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.265 -0.747 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.135 -1.242 -11.481 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.975 -2.962 -11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.174 -2.247 -9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.487 -1.432 -11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.155 -0.423 -10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.165 -0.368 -11.660 1.00 0.00 H new ATOM 575 N VAL A 43 -6.637 -2.081 -9.680 1.00 0.00 N ATOM 576 CA VAL A 43 -5.824 -1.887 -8.491 1.00 0.00 C ATOM 577 C VAL A 43 -4.880 -0.703 -8.711 1.00 0.00 C ATOM 578 O VAL A 43 -4.114 -0.686 -9.674 1.00 0.00 O ATOM 579 CB VAL A 43 -5.087 -3.182 -8.144 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.076 -3.547 -9.233 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.407 -3.077 -6.778 1.00 0.00 C ATOM 0 H VAL A 43 -6.300 -2.806 -10.314 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.453 -1.647 -7.634 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.825 -3.983 -8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.566 -4.471 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.596 -3.685 -10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.344 -2.745 -9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.891 -4.011 -6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.687 -2.259 -6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.158 -2.887 -6.011 1.00 0.00 H new ATOM 591 N ILE A 44 -4.966 0.258 -7.803 1.00 0.00 N ATOM 592 CA ILE A 44 -4.129 1.443 -7.886 1.00 0.00 C ATOM 593 C ILE A 44 -2.672 1.051 -7.634 1.00 0.00 C ATOM 594 O ILE A 44 -2.395 0.157 -6.836 1.00 0.00 O ATOM 595 CB ILE A 44 -4.646 2.531 -6.943 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.817 3.290 -7.572 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.516 3.470 -6.518 1.00 0.00 C ATOM 598 CD1 ILE A 44 -7.021 2.369 -7.777 1.00 0.00 C ATOM 0 H ILE A 44 -5.602 0.240 -7.006 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.175 1.873 -8.886 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.022 2.051 -6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.099 4.126 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.510 3.711 -8.529 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.910 4.234 -5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.743 2.899 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.088 3.947 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.839 2.933 -8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.743 1.548 -8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.341 1.969 -6.815 1.00 0.00 H new ATOM 610 N THR A 45 -1.778 1.740 -8.328 1.00 0.00 N ATOM 611 CA THR A 45 -0.356 1.476 -8.189 1.00 0.00 C ATOM 612 C THR A 45 0.403 2.775 -7.914 1.00 0.00 C ATOM 613 O THR A 45 -0.186 3.855 -7.913 1.00 0.00 O ATOM 614 CB THR A 45 0.116 0.752 -9.451 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.575 1.411 -10.509 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.387 -0.692 -9.521 1.00 0.00 C ATOM 0 H THR A 45 -2.011 2.481 -8.989 1.00 0.00 H new ATOM 0 HA THR A 45 -0.155 0.832 -7.333 1.00 0.00 H new ATOM 0 HB THR A 45 1.205 0.759 -9.487 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.326 1.005 -11.365 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.023 -1.160 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.019 -1.248 -8.658 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.477 -0.698 -9.519 1.00 0.00 H new ATOM 624 N VAL A 46 1.700 2.628 -7.688 1.00 0.00 N ATOM 625 CA VAL A 46 2.547 3.777 -7.412 1.00 0.00 C ATOM 626 C VAL A 46 2.892 4.478 -8.727 1.00 0.00 C ATOM 627 O VAL A 46 3.699 3.976 -9.509 1.00 0.00 O ATOM 628 CB VAL A 46 3.783 3.338 -6.625 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.685 4.534 -6.310 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.386 2.600 -5.346 1.00 0.00 C ATOM 0 H VAL A 46 2.186 1.731 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 46 2.021 4.499 -6.788 1.00 0.00 H new ATOM 0 HB VAL A 46 4.348 2.646 -7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.557 4.195 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.010 5.000 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.132 5.260 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.284 2.299 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.788 3.259 -4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.803 1.715 -5.602 1.00 0.00 H new ATOM 640 N HIS A 47 2.265 5.626 -8.932 1.00 0.00 N ATOM 641 CA HIS A 47 2.496 6.401 -10.139 1.00 0.00 C ATOM 642 C HIS A 47 3.963 6.832 -10.199 1.00 0.00 C ATOM 643 O HIS A 47 4.684 6.462 -11.124 1.00 0.00 O ATOM 644 CB HIS A 47 1.527 7.583 -10.220 1.00 0.00 C ATOM 645 CG HIS A 47 1.665 8.404 -11.480 1.00 0.00 C ATOM 646 ND1 HIS A 47 2.626 8.398 -12.447 1.00 0.00 N flip ATOM 647 CD2 HIS A 47 0.741 9.366 -11.852 1.00 0.00 C flip ATOM 648 CE1 HIS A 47 2.307 9.306 -13.361 1.00 0.00 C flip ATOM 649 NE2 HIS A 47 1.139 9.907 -12.994 1.00 0.00 N flip ATOM 0 H HIS A 47 1.596 6.039 -8.282 1.00 0.00 H new ATOM 0 HA HIS A 47 2.298 5.784 -11.015 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.506 7.208 -10.153 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.686 8.230 -9.357 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.152 9.630 -11.305 1.00 0.00 H new ATOM 0 HE1 HIS A 47 2.878 9.532 -14.249 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.657 10.644 -13.509 1.00 0.00 H new ATOM 657 N ARG A 48 4.360 7.608 -9.201 1.00 0.00 N ATOM 658 CA ARG A 48 5.728 8.093 -9.129 1.00 0.00 C ATOM 659 C ARG A 48 6.173 8.209 -7.670 1.00 0.00 C ATOM 660 O ARG A 48 5.351 8.425 -6.782 1.00 0.00 O ATOM 661 CB ARG A 48 5.865 9.457 -9.808 1.00 0.00 C ATOM 662 CG ARG A 48 6.740 9.362 -11.059 1.00 0.00 C ATOM 663 CD ARG A 48 5.883 9.306 -12.325 1.00 0.00 C ATOM 664 NE ARG A 48 6.587 9.973 -13.443 1.00 0.00 N ATOM 665 CZ ARG A 48 6.830 11.289 -13.499 1.00 0.00 C ATOM 666 NH1 ARG A 48 6.428 12.088 -12.501 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.476 11.807 -14.553 1.00 0.00 N ATOM 0 H ARG A 48 3.758 7.913 -8.436 1.00 0.00 H new ATOM 0 HA ARG A 48 6.363 7.376 -9.650 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.878 9.833 -10.078 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.299 10.173 -9.110 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.408 10.222 -11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.368 8.473 -11.001 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.671 8.269 -12.585 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.924 9.792 -12.147 1.00 0.00 H new ATOM 0 HE ARG A 48 6.907 9.394 -14.219 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.937 11.694 -11.699 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.613 13.090 -12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.783 11.199 -15.312 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.661 12.809 -14.596 1.00 0.00 H new ATOM 681 N VAL A 49 7.474 8.061 -7.469 1.00 0.00 N ATOM 682 CA VAL A 49 8.039 8.147 -6.133 1.00 0.00 C ATOM 683 C VAL A 49 9.063 9.284 -6.089 1.00 0.00 C ATOM 684 O VAL A 49 10.223 9.094 -6.450 1.00 0.00 O ATOM 685 CB VAL A 49 8.630 6.796 -5.726 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.027 6.793 -4.249 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.655 5.657 -6.034 1.00 0.00 C ATOM 0 H VAL A 49 8.153 7.882 -8.209 1.00 0.00 H new ATOM 0 HA VAL A 49 7.262 8.380 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 49 9.533 6.634 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.444 5.821 -3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.773 7.568 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.147 6.988 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.099 4.707 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.727 5.813 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.443 5.638 -7.103 1.00 0.00 H new ATOM 697 N PHE A 50 8.595 10.441 -5.643 1.00 0.00 N ATOM 698 CA PHE A 50 9.455 11.608 -5.547 1.00 0.00 C ATOM 699 C PHE A 50 10.864 11.216 -5.097 1.00 0.00 C ATOM 700 O PHE A 50 11.046 10.197 -4.432 1.00 0.00 O ATOM 701 CB PHE A 50 8.837 12.534 -4.497 1.00 0.00 C ATOM 702 CG PHE A 50 7.379 12.905 -4.776 1.00 0.00 C ATOM 703 CD1 PHE A 50 6.822 12.614 -5.982 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.640 13.527 -3.818 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.469 12.958 -6.241 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.287 13.871 -4.078 1.00 0.00 C ATOM 707 CZ PHE A 50 4.730 13.580 -5.284 1.00 0.00 C ATOM 0 H PHE A 50 7.632 10.595 -5.344 1.00 0.00 H new ATOM 0 HA PHE A 50 9.535 12.092 -6.520 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.898 12.052 -3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.429 13.447 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.409 12.121 -6.743 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.082 13.759 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.027 12.726 -7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.700 14.364 -3.317 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.701 13.843 -5.482 1.00 0.00 H new ATOM 717 N PRO A 51 11.850 12.067 -5.487 1.00 0.00 N ATOM 718 CA PRO A 51 13.237 11.820 -5.131 1.00 0.00 C ATOM 719 C PRO A 51 13.491 12.146 -3.658 1.00 0.00 C ATOM 720 O PRO A 51 14.360 11.546 -3.027 1.00 0.00 O ATOM 721 CB PRO A 51 14.047 12.688 -6.080 1.00 0.00 C ATOM 722 CG PRO A 51 13.083 13.734 -6.615 1.00 0.00 C ATOM 723 CD PRO A 51 11.671 13.284 -6.275 1.00 0.00 C ATOM 0 HA PRO A 51 13.518 10.772 -5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.884 13.157 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.467 12.093 -6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.291 14.707 -6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.199 13.844 -7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.137 14.048 -5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.089 13.090 -7.176 1.00 0.00 H new ATOM 731 N ASN A 52 12.717 13.095 -3.152 1.00 0.00 N ATOM 732 CA ASN A 52 12.848 13.507 -1.765 1.00 0.00 C ATOM 733 C ASN A 52 11.570 13.143 -1.007 1.00 0.00 C ATOM 734 O ASN A 52 10.662 13.964 -0.883 1.00 0.00 O ATOM 735 CB ASN A 52 13.047 15.020 -1.657 1.00 0.00 C ATOM 736 CG ASN A 52 12.253 15.757 -2.738 1.00 0.00 C ATOM 737 OD1 ASN A 52 12.975 16.622 -3.444 1.00 0.00 O flip ATOM 738 ND2 ASN A 52 11.064 15.553 -2.918 1.00 0.00 N flip ATOM 0 H ASN A 52 11.997 13.590 -3.678 1.00 0.00 H new ATOM 0 HA ASN A 52 13.714 12.998 -1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.731 15.362 -0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.106 15.259 -1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.570 14.874 -2.339 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.564 16.061 -3.647 1.00 0.00 H new ATOM 745 N GLY A 53 11.539 11.912 -0.520 1.00 0.00 N ATOM 746 CA GLY A 53 10.387 11.429 0.223 1.00 0.00 C ATOM 747 C GLY A 53 10.757 10.219 1.083 1.00 0.00 C ATOM 748 O GLY A 53 11.924 9.835 1.151 1.00 0.00 O ATOM 0 H GLY A 53 12.293 11.234 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.999 12.226 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.591 11.157 -0.470 1.00 0.00 H new ATOM 752 N LEU A 54 9.742 9.651 1.717 1.00 0.00 N ATOM 753 CA LEU A 54 9.946 8.492 2.569 1.00 0.00 C ATOM 754 C LEU A 54 9.805 7.218 1.733 1.00 0.00 C ATOM 755 O LEU A 54 10.677 6.352 1.764 1.00 0.00 O ATOM 756 CB LEU A 54 9.006 8.543 3.776 1.00 0.00 C ATOM 757 CG LEU A 54 8.823 9.916 4.426 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.360 10.151 4.806 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.761 10.086 5.623 1.00 0.00 C ATOM 0 H LEU A 54 8.776 9.972 1.658 1.00 0.00 H new ATOM 0 HA LEU A 54 10.956 8.494 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.028 8.177 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.379 7.852 4.532 1.00 0.00 H new ATOM 0 HG LEU A 54 9.093 10.679 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.257 11.134 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.739 10.102 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.040 9.385 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.610 11.070 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.547 9.317 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.795 9.992 5.291 1.00 0.00 H new ATOM 771 N ALA A 55 8.700 7.146 1.006 1.00 0.00 N ATOM 772 CA ALA A 55 8.433 5.992 0.163 1.00 0.00 C ATOM 773 C ALA A 55 9.692 5.648 -0.635 1.00 0.00 C ATOM 774 O ALA A 55 9.903 4.492 -1.000 1.00 0.00 O ATOM 775 CB ALA A 55 7.233 6.286 -0.739 1.00 0.00 C ATOM 0 H ALA A 55 7.979 7.867 0.983 1.00 0.00 H new ATOM 0 HA ALA A 55 8.179 5.123 0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.032 5.421 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.358 6.496 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.452 7.150 -1.366 1.00 0.00 H new ATOM 781 N SER A 56 10.495 6.672 -0.884 1.00 0.00 N ATOM 782 CA SER A 56 11.727 6.492 -1.633 1.00 0.00 C ATOM 783 C SER A 56 12.834 5.986 -0.705 1.00 0.00 C ATOM 784 O SER A 56 13.500 4.998 -1.009 1.00 0.00 O ATOM 785 CB SER A 56 12.156 7.796 -2.309 1.00 0.00 C ATOM 786 OG SER A 56 13.571 7.882 -2.454 1.00 0.00 O ATOM 0 H SER A 56 10.316 7.629 -0.580 1.00 0.00 H new ATOM 0 HA SER A 56 11.548 5.752 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.686 7.867 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.800 8.643 -1.722 1.00 0.00 H new ATOM 0 HG SER A 56 13.804 8.728 -2.891 1.00 0.00 H new ATOM 792 N GLN A 57 12.996 6.688 0.407 1.00 0.00 N ATOM 793 CA GLN A 57 14.011 6.322 1.381 1.00 0.00 C ATOM 794 C GLN A 57 13.849 4.857 1.791 1.00 0.00 C ATOM 795 O GLN A 57 14.829 4.117 1.862 1.00 0.00 O ATOM 796 CB GLN A 57 13.956 7.243 2.602 1.00 0.00 C ATOM 797 CG GLN A 57 14.801 8.499 2.380 1.00 0.00 C ATOM 798 CD GLN A 57 15.617 8.838 3.629 1.00 0.00 C ATOM 799 OE1 GLN A 57 15.089 9.190 4.670 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.932 8.713 3.466 1.00 0.00 N ATOM 0 H GLN A 57 12.442 7.508 0.655 1.00 0.00 H new ATOM 0 HA GLN A 57 14.991 6.443 0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.923 7.526 2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.316 6.709 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.471 8.346 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.153 9.338 2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.308 8.413 2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.564 8.917 4.241 1.00 0.00 H new ATOM 809 N GLU A 58 12.605 4.482 2.052 1.00 0.00 N ATOM 810 CA GLU A 58 12.303 3.119 2.454 1.00 0.00 C ATOM 811 C GLU A 58 12.687 2.141 1.342 1.00 0.00 C ATOM 812 O GLU A 58 13.545 1.281 1.536 1.00 0.00 O ATOM 813 CB GLU A 58 10.826 2.972 2.827 1.00 0.00 C ATOM 814 CG GLU A 58 10.644 1.946 3.947 1.00 0.00 C ATOM 815 CD GLU A 58 10.778 2.604 5.322 1.00 0.00 C ATOM 816 OE1 GLU A 58 10.058 3.601 5.546 1.00 0.00 O ATOM 817 OE2 GLU A 58 11.598 2.096 6.116 1.00 0.00 O ATOM 0 H GLU A 58 11.795 5.099 1.993 1.00 0.00 H new ATOM 0 HA GLU A 58 12.893 2.883 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.429 3.936 3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.255 2.665 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.664 1.476 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.387 1.155 3.845 1.00 0.00 H new ATOM 824 N GLY A 59 12.032 2.304 0.201 1.00 0.00 N ATOM 825 CA GLY A 59 12.295 1.446 -0.941 1.00 0.00 C ATOM 826 C GLY A 59 11.177 0.417 -1.123 1.00 0.00 C ATOM 827 O GLY A 59 11.235 -0.416 -2.026 1.00 0.00 O ATOM 0 H GLY A 59 11.320 3.017 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.386 2.052 -1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.247 0.933 -0.804 1.00 0.00 H new ATOM 831 N THR A 60 10.184 0.509 -0.250 1.00 0.00 N ATOM 832 CA THR A 60 9.054 -0.403 -0.302 1.00 0.00 C ATOM 833 C THR A 60 8.086 0.010 -1.412 1.00 0.00 C ATOM 834 O THR A 60 7.627 -0.830 -2.185 1.00 0.00 O ATOM 835 CB THR A 60 8.409 -0.437 1.085 1.00 0.00 C ATOM 836 OG1 THR A 60 9.197 -1.376 1.812 1.00 0.00 O ATOM 837 CG2 THR A 60 7.012 -1.059 1.066 1.00 0.00 C ATOM 0 H THR A 60 10.139 1.202 0.498 1.00 0.00 H new ATOM 0 HA THR A 60 9.374 -1.415 -0.552 1.00 0.00 H new ATOM 0 HB THR A 60 8.350 0.576 1.482 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.612 -1.938 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.600 -1.059 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.364 -0.479 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.075 -2.084 0.700 1.00 0.00 H new ATOM 845 N ILE A 61 7.805 1.304 -1.457 1.00 0.00 N ATOM 846 CA ILE A 61 6.900 1.839 -2.460 1.00 0.00 C ATOM 847 C ILE A 61 7.712 2.356 -3.649 1.00 0.00 C ATOM 848 O ILE A 61 8.213 3.480 -3.622 1.00 0.00 O ATOM 849 CB ILE A 61 5.976 2.890 -1.842 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.584 2.504 -0.415 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.752 3.133 -2.728 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.651 3.550 0.200 1.00 0.00 C ATOM 0 H ILE A 61 8.188 1.998 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 61 6.244 1.055 -2.838 1.00 0.00 H new ATOM 0 HB ILE A 61 6.521 3.832 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.092 1.531 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.480 2.406 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.112 3.884 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.076 3.485 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.195 2.203 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.388 3.251 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.154 4.516 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.745 3.628 -0.402 1.00 0.00 H new ATOM 864 N GLN A 62 7.817 1.513 -4.665 1.00 0.00 N ATOM 865 CA GLN A 62 8.560 1.871 -5.862 1.00 0.00 C ATOM 866 C GLN A 62 7.620 1.947 -7.067 1.00 0.00 C ATOM 867 O GLN A 62 6.872 1.008 -7.336 1.00 0.00 O ATOM 868 CB GLN A 62 9.699 0.882 -6.117 1.00 0.00 C ATOM 869 CG GLN A 62 10.814 1.052 -5.084 1.00 0.00 C ATOM 870 CD GLN A 62 11.833 -0.085 -5.184 1.00 0.00 C ATOM 871 OE1 GLN A 62 11.486 -1.182 -4.517 1.00 0.00 O flip ATOM 872 NE2 GLN A 62 12.866 0.027 -5.824 1.00 0.00 N flip ATOM 0 H GLN A 62 7.400 0.582 -4.685 1.00 0.00 H new ATOM 0 HA GLN A 62 9.004 2.855 -5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.315 -0.138 -6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.100 1.034 -7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.314 2.008 -5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.386 1.074 -4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.071 0.898 -6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.524 -0.751 -5.870 1.00 0.00 H new ATOM 881 N LYS A 63 7.688 3.074 -7.760 1.00 0.00 N ATOM 882 CA LYS A 63 6.853 3.285 -8.930 1.00 0.00 C ATOM 883 C LYS A 63 6.835 2.010 -9.776 1.00 0.00 C ATOM 884 O LYS A 63 7.844 1.647 -10.378 1.00 0.00 O ATOM 885 CB LYS A 63 7.311 4.527 -9.698 1.00 0.00 C ATOM 886 CG LYS A 63 7.058 4.367 -11.199 1.00 0.00 C ATOM 887 CD LYS A 63 7.583 5.576 -11.975 1.00 0.00 C ATOM 888 CE LYS A 63 9.000 5.322 -12.494 1.00 0.00 C ATOM 889 NZ LYS A 63 9.517 6.519 -13.195 1.00 0.00 N ATOM 0 H LYS A 63 8.309 3.851 -7.534 1.00 0.00 H new ATOM 0 HA LYS A 63 5.824 3.484 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.781 5.404 -9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.373 4.698 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.544 3.460 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.990 4.249 -11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.919 5.792 -12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.580 6.455 -11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.658 5.067 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.998 4.469 -13.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.479 6.330 -13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.898 6.745 -14.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.537 7.325 -12.538 1.00 0.00 H new ATOM 903 N GLY A 64 5.678 1.366 -9.794 1.00 0.00 N ATOM 904 CA GLY A 64 5.516 0.140 -10.555 1.00 0.00 C ATOM 905 C GLY A 64 4.985 -0.990 -9.670 1.00 0.00 C ATOM 906 O GLY A 64 4.610 -2.050 -10.168 1.00 0.00 O ATOM 0 H GLY A 64 4.843 1.671 -9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.829 0.311 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.472 -0.152 -10.989 1.00 0.00 H new ATOM 910 N ASN A 65 4.971 -0.724 -8.372 1.00 0.00 N ATOM 911 CA ASN A 65 4.493 -1.705 -7.413 1.00 0.00 C ATOM 912 C ASN A 65 2.963 -1.701 -7.405 1.00 0.00 C ATOM 913 O ASN A 65 2.336 -1.005 -8.203 1.00 0.00 O ATOM 914 CB ASN A 65 4.973 -1.372 -5.999 1.00 0.00 C ATOM 915 CG ASN A 65 6.481 -1.596 -5.865 1.00 0.00 C ATOM 916 OD1 ASN A 65 7.255 -0.677 -5.653 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.853 -2.866 -6.000 1.00 0.00 N ATOM 0 H ASN A 65 5.283 0.156 -7.962 1.00 0.00 H new ATOM 0 HA ASN A 65 4.882 -2.680 -7.706 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.734 -0.335 -5.765 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.444 -1.993 -5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.838 -3.119 -5.927 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.153 -3.586 -6.176 1.00 0.00 H new ATOM 924 N GLU A 66 2.405 -2.485 -6.494 1.00 0.00 N ATOM 925 CA GLU A 66 0.960 -2.581 -6.373 1.00 0.00 C ATOM 926 C GLU A 66 0.504 -2.026 -5.022 1.00 0.00 C ATOM 927 O GLU A 66 1.056 -2.381 -3.982 1.00 0.00 O ATOM 928 CB GLU A 66 0.489 -4.024 -6.560 1.00 0.00 C ATOM 929 CG GLU A 66 -0.967 -4.186 -6.120 1.00 0.00 C ATOM 930 CD GLU A 66 -1.802 -4.849 -7.218 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.432 -4.668 -8.398 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.791 -5.520 -6.852 1.00 0.00 O ATOM 0 H GLU A 66 2.927 -3.060 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 66 0.507 -1.981 -7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.591 -4.311 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.124 -4.696 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.011 -4.787 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.388 -3.210 -5.877 1.00 0.00 H new ATOM 939 N VAL A 67 -0.500 -1.163 -5.081 1.00 0.00 N ATOM 940 CA VAL A 67 -1.037 -0.556 -3.876 1.00 0.00 C ATOM 941 C VAL A 67 -2.362 -1.231 -3.516 1.00 0.00 C ATOM 942 O VAL A 67 -3.347 -1.101 -4.242 1.00 0.00 O ATOM 943 CB VAL A 67 -1.170 0.957 -4.066 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.723 1.621 -2.804 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.169 1.577 -4.471 1.00 0.00 C ATOM 0 H VAL A 67 -0.955 -0.870 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.357 -0.707 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.879 1.133 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.808 2.696 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.707 1.209 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.049 1.432 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.048 2.653 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.909 1.386 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.506 1.135 -5.409 1.00 0.00 H new ATOM 955 N LEU A 68 -2.344 -1.939 -2.396 1.00 0.00 N ATOM 956 CA LEU A 68 -3.532 -2.635 -1.932 1.00 0.00 C ATOM 957 C LEU A 68 -4.405 -1.667 -1.131 1.00 0.00 C ATOM 958 O LEU A 68 -5.613 -1.590 -1.348 1.00 0.00 O ATOM 959 CB LEU A 68 -3.145 -3.897 -1.158 1.00 0.00 C ATOM 960 CG LEU A 68 -2.059 -4.767 -1.795 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.238 -5.489 -0.724 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.661 -5.741 -2.810 1.00 0.00 C ATOM 0 H LEU A 68 -1.526 -2.046 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.128 -2.977 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.809 -3.601 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.039 -4.506 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.376 -4.116 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.473 -6.101 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.762 -4.755 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.894 -6.127 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.868 -6.347 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.379 -6.390 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.165 -5.181 -3.597 1.00 0.00 H new ATOM 974 N SER A 69 -3.759 -0.952 -0.221 1.00 0.00 N ATOM 975 CA SER A 69 -4.461 0.008 0.613 1.00 0.00 C ATOM 976 C SER A 69 -3.506 1.122 1.047 1.00 0.00 C ATOM 977 O SER A 69 -2.291 0.991 0.909 1.00 0.00 O ATOM 978 CB SER A 69 -5.075 -0.672 1.838 1.00 0.00 C ATOM 979 OG SER A 69 -4.207 -0.623 2.967 1.00 0.00 O ATOM 0 H SER A 69 -2.757 -1.019 -0.043 1.00 0.00 H new ATOM 0 HA SER A 69 -5.272 0.441 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.020 -0.188 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.302 -1.711 1.600 1.00 0.00 H new ATOM 0 HG SER A 69 -4.636 -1.066 3.729 1.00 0.00 H new ATOM 985 N ILE A 70 -4.092 2.192 1.563 1.00 0.00 N ATOM 986 CA ILE A 70 -3.308 3.328 2.019 1.00 0.00 C ATOM 987 C ILE A 70 -3.929 3.891 3.299 1.00 0.00 C ATOM 988 O ILE A 70 -5.071 4.348 3.290 1.00 0.00 O ATOM 989 CB ILE A 70 -3.162 4.361 0.900 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.382 3.783 -0.282 1.00 0.00 C ATOM 991 CG2 ILE A 70 -2.532 5.653 1.426 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.866 4.897 -1.196 1.00 0.00 C ATOM 0 H ILE A 70 -5.100 2.297 1.676 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.294 3.016 2.268 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.158 4.613 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.543 3.192 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.023 3.109 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.439 6.371 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.163 6.073 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.544 5.437 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.315 4.459 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.709 5.471 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.206 5.555 -0.631 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.149 3.839 4.369 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.609 4.338 5.654 1.00 0.00 C ATOM 1006 C ASN A 71 -4.505 3.287 6.313 1.00 0.00 C ATOM 1007 O ASN A 71 -5.012 3.501 7.413 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.427 5.620 5.487 1.00 0.00 C ATOM 1009 CG ASN A 71 -4.084 6.635 6.578 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.860 6.901 7.481 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -2.881 7.187 6.446 1.00 0.00 N ATOM 0 H ASN A 71 -2.202 3.459 4.372 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.733 4.548 6.268 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.232 6.055 4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.491 5.385 5.526 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.559 7.877 7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.280 6.920 5.666 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.673 2.175 5.613 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.500 1.092 6.116 1.00 0.00 C ATOM 1020 C GLY A 72 -6.830 1.021 5.363 1.00 0.00 C ATOM 1021 O GLY A 72 -7.677 0.183 5.669 1.00 0.00 O ATOM 0 H GLY A 72 -4.250 2.001 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.969 0.146 6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.688 1.237 7.180 1.00 0.00 H new ATOM 1025 N LYS A 73 -6.972 1.912 4.392 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.184 1.961 3.593 1.00 0.00 C ATOM 1027 C LYS A 73 -7.963 1.189 2.291 1.00 0.00 C ATOM 1028 O LYS A 73 -7.153 1.591 1.457 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.628 3.410 3.382 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.490 3.542 2.124 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.890 4.999 1.884 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.295 5.277 2.421 1.00 0.00 C ATOM 1033 NZ LYS A 73 -11.296 6.498 3.259 1.00 0.00 N ATOM 0 H LYS A 73 -6.267 2.605 4.141 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.006 1.473 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.191 3.752 4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.752 4.054 3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.941 3.165 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.385 2.928 2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.173 5.661 2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.855 5.219 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.991 5.398 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.642 4.426 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.257 6.673 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.647 6.369 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.985 7.310 2.689 1.00 0.00 H new ATOM 1047 N SER A 74 -8.698 0.095 2.157 1.00 0.00 N ATOM 1048 CA SER A 74 -8.592 -0.737 0.970 1.00 0.00 C ATOM 1049 C SER A 74 -9.347 -0.089 -0.192 1.00 0.00 C ATOM 1050 O SER A 74 -10.340 0.606 0.019 1.00 0.00 O ATOM 1051 CB SER A 74 -9.130 -2.144 1.234 1.00 0.00 C ATOM 1052 OG SER A 74 -9.293 -2.401 2.626 1.00 0.00 O ATOM 0 H SER A 74 -9.369 -0.235 2.851 1.00 0.00 H new ATOM 0 HA SER A 74 -7.538 -0.824 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.088 -2.267 0.728 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.448 -2.879 0.807 1.00 0.00 H new ATOM 0 HG SER A 74 -9.640 -3.309 2.753 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.849 -0.339 -1.393 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.464 0.211 -2.589 1.00 0.00 C ATOM 1060 C LEU A 75 -10.635 -0.679 -3.011 1.00 0.00 C ATOM 1061 O LEU A 75 -10.431 -1.786 -3.507 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.417 0.411 -3.687 1.00 0.00 C ATOM 1063 CG LEU A 75 -7.048 0.913 -3.225 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.983 0.662 -4.294 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.113 2.385 -2.815 1.00 0.00 C ATOM 0 H LEU A 75 -8.025 -0.916 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.872 1.201 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.278 -0.537 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.814 1.118 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.757 0.346 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.019 1.028 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.914 -0.407 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.256 1.186 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.126 2.716 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.436 2.986 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.823 2.504 -1.996 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.836 -0.162 -2.797 1.00 0.00 N ATOM 1078 CA LYS A 76 -13.040 -0.896 -3.148 1.00 0.00 C ATOM 1079 C LYS A 76 -13.403 -0.604 -4.605 1.00 0.00 C ATOM 1080 O LYS A 76 -14.500 -0.935 -5.054 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.165 -0.585 -2.160 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.351 0.925 -1.998 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.601 1.442 -0.769 1.00 0.00 C ATOM 1084 CE LYS A 76 -14.571 2.017 0.264 1.00 0.00 C ATOM 1085 NZ LYS A 76 -14.913 0.996 1.279 1.00 0.00 N ATOM 0 H LYS A 76 -12.001 0.756 -2.385 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.868 -1.969 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.095 -1.034 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.938 -1.033 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.991 1.437 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.412 1.156 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.026 0.631 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.888 2.209 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.123 2.884 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.478 2.362 -0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.572 1.403 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.360 0.180 0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.047 0.686 1.765 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.462 0.013 -5.304 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.669 0.354 -6.701 1.00 0.00 C ATOM 1101 C GLY A 77 -12.688 1.871 -6.899 1.00 0.00 C ATOM 1102 O GLY A 77 -13.308 2.371 -7.836 1.00 0.00 O ATOM 0 H GLY A 77 -11.554 0.286 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.877 -0.085 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.610 -0.073 -7.048 1.00 0.00 H new ATOM 1106 N THR A 78 -12.001 2.561 -6.001 1.00 0.00 N ATOM 1107 CA THR A 78 -11.931 4.011 -6.064 1.00 0.00 C ATOM 1108 C THR A 78 -11.333 4.458 -7.400 1.00 0.00 C ATOM 1109 O THR A 78 -10.415 3.822 -7.917 1.00 0.00 O ATOM 1110 CB THR A 78 -11.139 4.500 -4.850 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.167 3.396 -3.950 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.859 5.617 -4.092 1.00 0.00 C ATOM 0 H THR A 78 -11.488 2.143 -5.225 1.00 0.00 H new ATOM 0 HA THR A 78 -12.925 4.457 -6.022 1.00 0.00 H new ATOM 0 HB THR A 78 -10.160 4.854 -5.174 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.315 2.913 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.254 5.927 -3.240 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.013 6.467 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.824 5.254 -3.739 1.00 0.00 H new ATOM 1120 N THR A 79 -11.877 5.548 -7.920 1.00 0.00 N ATOM 1121 CA THR A 79 -11.408 6.088 -9.185 1.00 0.00 C ATOM 1122 C THR A 79 -10.036 6.741 -9.012 1.00 0.00 C ATOM 1123 O THR A 79 -9.569 6.923 -7.888 1.00 0.00 O ATOM 1124 CB THR A 79 -12.476 7.048 -9.714 1.00 0.00 C ATOM 1125 OG1 THR A 79 -12.935 7.731 -8.551 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.717 6.318 -10.231 1.00 0.00 C ATOM 0 H THR A 79 -12.638 6.072 -7.488 1.00 0.00 H new ATOM 0 HA THR A 79 -11.265 5.298 -9.923 1.00 0.00 H new ATOM 0 HB THR A 79 -12.053 7.655 -10.514 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.782 7.337 -8.253 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.442 7.046 -10.594 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.434 5.651 -11.045 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.160 5.737 -9.423 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.428 7.075 -10.140 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.118 7.704 -10.127 1.00 0.00 C ATOM 1136 C HIS A 80 -8.146 8.929 -9.212 1.00 0.00 C ATOM 1137 O HIS A 80 -7.199 9.174 -8.466 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.660 8.036 -11.549 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.267 8.613 -11.626 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.131 7.868 -11.362 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.839 9.869 -11.941 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.073 8.651 -11.513 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.514 9.891 -11.872 1.00 0.00 N ATOM 0 H HIS A 80 -9.818 6.922 -11.070 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.381 7.009 -9.724 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.701 7.130 -12.154 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.361 8.745 -11.989 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.112 6.883 -11.096 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.472 10.704 -12.202 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.042 8.359 -11.376 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.243 9.667 -9.298 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.408 10.862 -8.487 1.00 0.00 C ATOM 1153 C HIS A 81 -9.641 10.463 -7.029 1.00 0.00 C ATOM 1154 O HIS A 81 -8.801 10.723 -6.168 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.523 11.748 -9.045 1.00 0.00 C ATOM 1156 CG HIS A 81 -11.241 12.564 -7.998 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -10.790 13.119 -6.836 1.00 0.00 N flip ATOM 1158 CD2 HIS A 81 -12.584 12.887 -8.089 1.00 0.00 C flip ATOM 1159 CE1 HIS A 81 -11.802 13.747 -6.250 1.00 0.00 C flip ATOM 1160 NE2 HIS A 81 -12.915 13.604 -7.025 1.00 0.00 N flip ATOM 0 H HIS A 81 -10.027 9.461 -9.917 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.497 11.460 -8.523 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.099 12.423 -9.789 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.248 11.119 -9.561 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -13.249 12.603 -8.891 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.752 14.283 -5.314 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -13.840 13.983 -6.821 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.786 9.839 -6.795 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.141 9.402 -5.455 1.00 0.00 C ATOM 1170 C ASP A 82 -9.892 8.870 -4.750 1.00 0.00 C ATOM 1171 O ASP A 82 -9.773 8.971 -3.529 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.175 8.276 -5.499 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.521 8.658 -6.117 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.771 9.878 -6.225 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.271 7.721 -6.468 1.00 0.00 O ATOM 0 H ASP A 82 -11.480 9.625 -7.511 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.560 10.255 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.757 7.441 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.347 7.921 -4.483 1.00 0.00 H new ATOM 1180 N ALA A 83 -8.991 8.316 -5.548 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.755 7.768 -5.015 1.00 0.00 C ATOM 1182 C ALA A 83 -6.800 8.913 -4.675 1.00 0.00 C ATOM 1183 O ALA A 83 -6.333 9.020 -3.542 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.155 6.788 -6.025 1.00 0.00 C ATOM 0 H ALA A 83 -9.092 8.235 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.945 7.214 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.228 6.376 -5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.861 5.979 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.948 7.310 -6.959 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.537 9.740 -5.676 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.645 10.873 -5.496 1.00 0.00 C ATOM 1192 C LEU A 84 -6.010 11.603 -4.203 1.00 0.00 C ATOM 1193 O LEU A 84 -5.138 11.910 -3.392 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.664 11.770 -6.736 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.129 11.144 -8.025 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -5.928 11.622 -9.239 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -3.631 11.411 -8.184 1.00 0.00 C ATOM 0 H LEU A 84 -6.926 9.648 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.614 10.535 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.690 12.092 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.081 12.665 -6.521 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.258 10.064 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.527 11.162 -10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.974 11.339 -9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.853 12.706 -9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.276 10.955 -9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.455 12.486 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.093 10.982 -7.338 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.301 11.861 -4.050 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.792 12.550 -2.868 1.00 0.00 C ATOM 1211 C ALA A 85 -7.474 11.714 -1.627 1.00 0.00 C ATOM 1212 O ALA A 85 -6.807 12.188 -0.709 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.290 12.821 -3.021 1.00 0.00 C ATOM 0 H ALA A 85 -8.022 11.605 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.297 13.514 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.659 13.338 -2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.459 13.443 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.821 11.876 -3.137 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.967 10.484 -1.639 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.744 9.578 -0.525 1.00 0.00 C ATOM 1221 C ILE A 86 -6.263 9.603 -0.141 1.00 0.00 C ATOM 1222 O ILE A 86 -5.924 9.554 1.040 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.269 8.180 -0.859 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.568 7.888 -0.106 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.202 7.116 -0.595 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.629 7.311 -1.045 1.00 0.00 C ATOM 0 H ILE A 86 -8.520 10.094 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.306 9.904 0.350 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.500 8.147 -1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.373 7.185 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.941 8.804 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.601 6.132 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.327 7.317 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.917 7.140 0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.542 7.113 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.840 8.027 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.262 6.382 -1.481 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.422 9.680 -1.162 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.985 9.712 -0.946 1.00 0.00 C ATOM 1240 C LEU A 87 -3.605 11.033 -0.273 1.00 0.00 C ATOM 1241 O LEU A 87 -2.688 11.074 0.547 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.240 9.454 -2.257 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.804 9.976 -2.327 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.779 11.472 -2.650 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -1.041 9.655 -1.040 1.00 0.00 C ATOM 0 H LEU A 87 -5.708 9.721 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.683 8.911 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.224 8.379 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.809 9.905 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.293 9.462 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.746 11.818 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.261 11.645 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.313 12.021 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.023 10.037 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.542 10.124 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.014 8.575 -0.893 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.327 12.079 -0.644 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.077 13.397 -0.086 1.00 0.00 C ATOM 1259 C ARG A 88 -4.526 13.449 1.376 1.00 0.00 C ATOM 1260 O ARG A 88 -4.118 14.336 2.123 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.814 14.479 -0.877 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.131 14.736 -2.222 1.00 0.00 C ATOM 1263 CD ARG A 88 -4.961 15.687 -3.086 1.00 0.00 C ATOM 1264 NE ARG A 88 -4.686 17.090 -2.703 1.00 0.00 N ATOM 1265 CZ ARG A 88 -5.193 18.156 -3.337 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -6.006 17.985 -4.388 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -4.888 19.392 -2.919 1.00 0.00 N ATOM 0 H ARG A 88 -5.086 12.041 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.005 13.585 -0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.847 14.174 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.843 15.402 -0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.141 15.161 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.989 13.792 -2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.723 15.536 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.022 15.470 -2.964 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.072 17.256 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.239 17.044 -4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.392 18.796 -4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.270 19.521 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.274 20.203 -3.402 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.362 12.487 1.739 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.871 12.412 3.098 1.00 0.00 C ATOM 1283 C GLN A 89 -4.906 11.621 3.984 1.00 0.00 C ATOM 1284 O GLN A 89 -4.880 11.806 5.200 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.270 11.795 3.126 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.307 12.760 2.548 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.606 12.719 3.356 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.607 12.624 4.572 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.707 12.796 2.614 1.00 0.00 N ATOM 0 H GLN A 89 -5.699 11.753 1.116 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.948 13.425 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.273 10.867 2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.538 11.539 4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.906 13.774 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.512 12.499 1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.634 12.874 1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.624 12.777 3.059 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.135 10.757 3.340 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.171 9.937 4.054 1.00 0.00 C ATOM 1300 C ALA A 90 -1.909 10.760 4.324 1.00 0.00 C ATOM 1301 O ALA A 90 -1.007 10.308 5.027 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.879 8.671 3.246 1.00 0.00 C ATOM 0 H ALA A 90 -4.158 10.607 2.331 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.573 9.623 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.156 8.056 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.802 8.108 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.471 8.946 2.273 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.886 11.954 3.750 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.751 12.844 3.920 1.00 0.00 C ATOM 1310 C ARG A 91 -1.060 13.903 4.981 1.00 0.00 C ATOM 1311 O ARG A 91 -0.193 14.699 5.339 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.394 13.540 2.604 1.00 0.00 C ATOM 1313 CG ARG A 91 -0.017 12.519 1.529 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.288 13.072 0.129 1.00 0.00 C ATOM 1315 NE ARG A 91 0.887 12.844 -0.742 1.00 0.00 N ATOM 1316 CZ ARG A 91 1.971 13.631 -0.763 1.00 0.00 C ATOM 1317 NH1 ARG A 91 2.035 14.703 0.039 1.00 0.00 N ATOM 1318 NH2 ARG A 91 2.990 13.347 -1.585 1.00 0.00 N ATOM 0 H ARG A 91 -2.636 12.326 3.167 1.00 0.00 H new ATOM 0 HA ARG A 91 0.098 12.240 4.241 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.240 14.137 2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.437 14.227 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.037 12.259 1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.586 11.602 1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.167 12.589 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.507 14.138 0.186 1.00 0.00 H new ATOM 0 HE ARG A 91 0.870 12.037 -1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.259 14.919 0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.860 15.303 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.941 12.531 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.815 13.947 -1.601 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.297 13.877 5.454 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.731 14.824 6.467 1.00 0.00 C ATOM 1334 C GLU A 92 -2.129 14.461 7.826 1.00 0.00 C ATOM 1335 O GLU A 92 -1.723 15.341 8.584 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.258 14.885 6.542 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.761 14.365 7.890 1.00 0.00 C ATOM 1338 CD GLU A 92 -4.680 15.454 8.962 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -5.193 16.561 8.687 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -4.108 15.155 10.032 1.00 0.00 O ATOM 0 H GLU A 92 -3.013 13.215 5.154 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.374 15.815 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.592 15.912 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.689 14.292 5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.791 14.023 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.168 13.503 8.196 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.090 13.130 8.100 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.544 12.640 9.354 1.00 0.00 C ATOM 1349 C PRO A 93 -0.016 12.720 9.356 1.00 0.00 C ATOM 1350 O PRO A 93 0.572 13.435 8.547 1.00 0.00 O ATOM 1351 CB PRO A 93 -2.064 11.217 9.480 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.494 10.805 8.081 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.562 12.059 7.226 1.00 0.00 C ATOM 0 HA PRO A 93 -1.852 13.240 10.210 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.291 10.551 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.901 11.167 10.176 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.785 10.093 7.658 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.465 10.310 8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.936 11.967 6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.578 12.248 6.881 1.00 0.00 H new ATOM 1361 N ARG A 94 0.582 11.977 10.276 1.00 0.00 N ATOM 1362 CA ARG A 94 2.030 11.956 10.394 1.00 0.00 C ATOM 1363 C ARG A 94 2.575 10.583 9.993 1.00 0.00 C ATOM 1364 O ARG A 94 3.777 10.426 9.783 1.00 0.00 O ATOM 1365 CB ARG A 94 2.471 12.273 11.824 1.00 0.00 C ATOM 1366 CG ARG A 94 2.798 13.760 11.980 1.00 0.00 C ATOM 1367 CD ARG A 94 1.878 14.419 13.010 1.00 0.00 C ATOM 1368 NE ARG A 94 2.224 13.950 14.371 1.00 0.00 N ATOM 1369 CZ ARG A 94 3.314 14.341 15.045 1.00 0.00 C ATOM 1370 NH1 ARG A 94 4.170 15.209 14.490 1.00 0.00 N ATOM 1371 NH2 ARG A 94 3.548 13.863 16.275 1.00 0.00 N ATOM 0 H ARG A 94 0.090 11.386 10.946 1.00 0.00 H new ATOM 0 HA ARG A 94 2.428 12.719 9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.681 11.995 12.522 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.346 11.676 12.079 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.837 13.877 12.288 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.692 14.262 11.018 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.974 15.503 12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.838 14.179 12.787 1.00 0.00 H new ATOM 0 HE ARG A 94 1.593 13.288 14.824 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.992 15.573 13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.000 15.506 15.004 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.896 13.202 16.698 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.378 14.160 16.788 1.00 0.00 H new ATOM 1385 N GLN A 95 1.665 9.625 9.898 1.00 0.00 N ATOM 1386 CA GLN A 95 2.040 8.272 9.525 1.00 0.00 C ATOM 1387 C GLN A 95 1.154 7.771 8.382 1.00 0.00 C ATOM 1388 O GLN A 95 -0.021 8.125 8.302 1.00 0.00 O ATOM 1389 CB GLN A 95 1.964 7.331 10.729 1.00 0.00 C ATOM 1390 CG GLN A 95 2.552 5.959 10.391 1.00 0.00 C ATOM 1391 CD GLN A 95 1.530 4.848 10.638 1.00 0.00 C ATOM 1392 OE1 GLN A 95 2.023 3.791 11.278 1.00 0.00 O flip ATOM 1393 NE2 GLN A 95 0.370 4.944 10.273 1.00 0.00 N flip ATOM 0 H GLN A 95 0.669 9.759 10.073 1.00 0.00 H new ATOM 0 HA GLN A 95 3.074 8.285 9.179 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.505 7.766 11.569 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.926 7.219 11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.868 5.942 9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.441 5.781 10.996 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.056 5.784 9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.286 4.185 10.455 1.00 0.00 H new ATOM 1402 N ALA A 96 1.752 6.957 7.525 1.00 0.00 N ATOM 1403 CA ALA A 96 1.033 6.404 6.391 1.00 0.00 C ATOM 1404 C ALA A 96 1.322 4.905 6.289 1.00 0.00 C ATOM 1405 O ALA A 96 2.475 4.485 6.366 1.00 0.00 O ATOM 1406 CB ALA A 96 1.425 7.161 5.120 1.00 0.00 C ATOM 0 H ALA A 96 2.728 6.667 7.594 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.042 6.523 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.886 6.746 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.172 8.215 5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.498 7.061 4.953 1.00 0.00 H new ATOM 1412 N VAL A 97 0.254 4.139 6.119 1.00 0.00 N ATOM 1413 CA VAL A 97 0.378 2.696 6.007 1.00 0.00 C ATOM 1414 C VAL A 97 0.050 2.270 4.574 1.00 0.00 C ATOM 1415 O VAL A 97 -1.064 2.484 4.099 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.506 2.012 7.051 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -0.994 0.652 6.549 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.230 1.872 8.385 1.00 0.00 C ATOM 0 H VAL A 97 -0.701 4.491 6.056 1.00 0.00 H new ATOM 0 HA VAL A 97 1.402 2.384 6.213 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.380 2.642 7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.620 0.187 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.573 0.788 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.137 0.011 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.421 1.383 9.110 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.130 1.274 8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.506 2.860 8.754 1.00 0.00 H new ATOM 1428 N ILE A 98 1.041 1.675 3.926 1.00 0.00 N ATOM 1429 CA ILE A 98 0.871 1.217 2.557 1.00 0.00 C ATOM 1430 C ILE A 98 1.201 -0.275 2.479 1.00 0.00 C ATOM 1431 O ILE A 98 2.312 -0.687 2.809 1.00 0.00 O ATOM 1432 CB ILE A 98 1.694 2.080 1.598 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.409 3.567 1.817 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.461 1.660 0.146 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.479 4.206 2.705 1.00 0.00 C ATOM 0 H ILE A 98 1.964 1.500 4.323 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.166 1.332 2.242 1.00 0.00 H new ATOM 0 HB ILE A 98 2.750 1.919 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.375 4.080 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.429 3.689 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.057 2.289 -0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.754 0.618 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.405 1.773 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.252 5.263 2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.493 3.707 3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.455 4.104 2.230 1.00 0.00 H new ATOM 1447 N VAL A 99 0.215 -1.043 2.040 1.00 0.00 N ATOM 1448 CA VAL A 99 0.387 -2.481 1.913 1.00 0.00 C ATOM 1449 C VAL A 99 0.596 -2.838 0.441 1.00 0.00 C ATOM 1450 O VAL A 99 -0.304 -2.660 -0.379 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.805 -3.207 2.541 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.541 -4.711 2.638 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.144 -2.620 3.913 1.00 0.00 C ATOM 0 H VAL A 99 -0.705 -0.697 1.768 1.00 0.00 H new ATOM 0 HA VAL A 99 1.274 -2.809 2.455 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.668 -3.059 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.403 -5.203 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.371 -5.116 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.340 -4.887 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.994 -3.154 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.284 -2.723 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.395 -1.565 3.805 1.00 0.00 H new ATOM 1463 N THR A 100 1.789 -3.335 0.149 1.00 0.00 N ATOM 1464 CA THR A 100 2.128 -3.719 -1.211 1.00 0.00 C ATOM 1465 C THR A 100 2.847 -5.069 -1.221 1.00 0.00 C ATOM 1466 O THR A 100 3.397 -5.491 -0.204 1.00 0.00 O ATOM 1467 CB THR A 100 2.951 -2.588 -1.830 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.144 -2.559 -1.051 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.323 -1.212 -1.599 1.00 0.00 C ATOM 0 H THR A 100 2.533 -3.481 0.831 1.00 0.00 H new ATOM 0 HA THR A 100 1.233 -3.859 -1.817 1.00 0.00 H new ATOM 0 HB THR A 100 3.059 -2.763 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.736 -1.854 -1.386 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.947 -0.445 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.329 -1.186 -2.045 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.245 -1.023 -0.528 1.00 0.00 H new ATOM 1477 N ARG A 101 2.819 -5.710 -2.380 1.00 0.00 N ATOM 1478 CA ARG A 101 3.462 -7.004 -2.535 1.00 0.00 C ATOM 1479 C ARG A 101 4.856 -6.835 -3.144 1.00 0.00 C ATOM 1480 O ARG A 101 5.151 -5.807 -3.751 1.00 0.00 O ATOM 1481 CB ARG A 101 2.631 -7.927 -3.429 1.00 0.00 C ATOM 1482 CG ARG A 101 1.316 -8.311 -2.749 1.00 0.00 C ATOM 1483 CD ARG A 101 0.131 -7.599 -3.406 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.752 -8.588 -4.065 1.00 0.00 N ATOM 1485 CZ ARG A 101 -1.546 -9.442 -3.406 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -1.573 -9.434 -2.066 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -2.313 -10.305 -4.086 1.00 0.00 N ATOM 0 H ARG A 101 2.361 -5.358 -3.221 1.00 0.00 H new ATOM 0 HA ARG A 101 3.546 -7.453 -1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.423 -7.430 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.202 -8.827 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.174 -9.390 -2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.360 -8.051 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.430 -7.041 -2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.491 -6.876 -4.138 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.756 -8.621 -5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.989 -8.778 -1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.178 -10.084 -1.564 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.292 -10.312 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.918 -10.955 -3.584 1.00 0.00 H new