USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 740 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 82 THR OG1 : rot 83:sc= 0.639 USER MOD Set 1.2: A 87 TYR OH : rot -130:sc= -1.62! USER MOD Set 2.1: A 67 HIS :FLIP no HE2:sc= -0.249 F(o=-3.1,f=-0.51) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 23 HIS :FLIP no HD1:sc= 0.107 F(o=-1.5,f=0.11) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.649 USER MOD Single : A 35 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.185) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00863 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= 0.0129 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.22 F(o=-1.9,f=-1.2) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 51 TYR OH : rot 151:sc= -0.795 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.9!) USER MOD Single : A 61 THR OG1 : rot -20:sc= 0.00222 USER MOD Single : A 62 ASN : amide:sc= -0.0879 K(o=-0.088,f=-1.7!) USER MOD Single : A 63 THR OG1 : rot -61:sc= 0.335 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.415 K(o=0.41,f=-4.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 80:sc= 0.0436 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -167:sc= -0.137 (180deg=-0.542) USER MOD Single : A 95 THR OG1 : rot 140:sc= -1.36 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.486 F(o=-2.2,f=-0.49) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -147:sc= -0.526! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.600 -0.655 -13.197 1.00 0.00 N ATOM 203 CA ASP A 16 17.318 0.181 -12.250 1.00 0.00 C ATOM 204 C ASP A 16 16.538 0.238 -10.934 1.00 0.00 C ATOM 205 O ASP A 16 17.020 -0.227 -9.902 1.00 0.00 O ATOM 206 CB ASP A 16 17.463 1.611 -12.775 1.00 0.00 C ATOM 207 CG ASP A 16 18.585 2.426 -12.130 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.645 2.421 -10.882 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.358 3.036 -12.901 1.00 0.00 O ATOM 0 HA ASP A 16 18.308 -0.251 -12.103 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.635 1.571 -13.851 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.520 2.135 -12.622 1.00 0.00 H new ATOM 214 N VAL A 17 15.346 0.812 -11.014 1.00 0.00 N ATOM 215 CA VAL A 17 14.495 0.935 -9.843 1.00 0.00 C ATOM 216 C VAL A 17 14.522 -0.377 -9.057 1.00 0.00 C ATOM 217 O VAL A 17 14.961 -1.404 -9.573 1.00 0.00 O ATOM 218 CB VAL A 17 13.084 1.352 -10.263 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.997 2.866 -10.464 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.644 0.605 -11.523 1.00 0.00 C ATOM 0 H VAL A 17 14.950 1.197 -11.872 1.00 0.00 H new ATOM 0 HA VAL A 17 14.867 1.717 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 17 12.401 1.081 -9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.984 3.136 -10.762 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.248 3.372 -9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.697 3.171 -11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.638 0.920 -11.800 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.332 0.830 -12.338 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.648 -0.468 -11.330 1.00 0.00 H new ATOM 230 N PRO A 18 14.034 -0.299 -7.790 1.00 0.00 N ATOM 231 CA PRO A 18 13.998 -1.469 -6.929 1.00 0.00 C ATOM 232 C PRO A 18 12.872 -2.419 -7.341 1.00 0.00 C ATOM 233 O PRO A 18 12.148 -2.151 -8.299 1.00 0.00 O ATOM 234 CB PRO A 18 13.825 -0.917 -5.523 1.00 0.00 C ATOM 235 CG PRO A 18 13.306 0.502 -5.694 1.00 0.00 C ATOM 236 CD PRO A 18 13.506 0.900 -7.147 1.00 0.00 C ATOM 0 HA PRO A 18 14.905 -2.070 -6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.124 -1.523 -4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.771 -0.924 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.251 0.558 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.840 1.186 -5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.568 1.214 -7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.200 1.736 -7.237 1.00 0.00 H new ATOM 244 N GLY A 19 12.759 -3.509 -6.597 1.00 0.00 N ATOM 245 CA GLY A 19 11.733 -4.501 -6.873 1.00 0.00 C ATOM 246 C GLY A 19 10.585 -4.396 -5.867 1.00 0.00 C ATOM 247 O GLY A 19 10.314 -3.319 -5.339 1.00 0.00 O ATOM 0 H GLY A 19 13.361 -3.728 -5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.350 -4.361 -7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.167 -5.500 -6.832 1.00 0.00 H new ATOM 251 N PRO A 20 9.924 -5.560 -5.626 1.00 0.00 N ATOM 252 CA PRO A 20 8.812 -5.610 -4.693 1.00 0.00 C ATOM 253 C PRO A 20 9.306 -5.551 -3.247 1.00 0.00 C ATOM 254 O PRO A 20 10.224 -6.278 -2.871 1.00 0.00 O ATOM 255 CB PRO A 20 8.082 -6.903 -5.019 1.00 0.00 C ATOM 256 CG PRO A 20 9.070 -7.753 -5.802 1.00 0.00 C ATOM 257 CD PRO A 20 10.218 -6.855 -6.234 1.00 0.00 C ATOM 0 HA PRO A 20 8.143 -4.755 -4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.764 -7.412 -4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.184 -6.708 -5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.438 -8.574 -5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.586 -8.198 -6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.176 -7.245 -5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.275 -6.779 -7.320 1.00 0.00 H new ATOM 265 N VAL A 21 8.675 -4.679 -2.474 1.00 0.00 N ATOM 266 CA VAL A 21 9.040 -4.516 -1.077 1.00 0.00 C ATOM 267 C VAL A 21 8.973 -5.873 -0.375 1.00 0.00 C ATOM 268 O VAL A 21 8.775 -6.901 -1.021 1.00 0.00 O ATOM 269 CB VAL A 21 8.146 -3.460 -0.423 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.641 -2.048 -0.744 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.687 -3.639 -0.846 1.00 0.00 C ATOM 0 H VAL A 21 7.913 -4.078 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 21 10.065 -4.155 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 21 8.201 -3.597 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.988 -1.317 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.658 -1.925 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.630 -1.895 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.073 -2.876 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.608 -3.542 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.339 -4.627 -0.544 1.00 0.00 H new ATOM 281 N GLY A 22 9.142 -5.834 0.938 1.00 0.00 N ATOM 282 CA GLY A 22 9.104 -7.048 1.735 1.00 0.00 C ATOM 283 C GLY A 22 7.714 -7.687 1.694 1.00 0.00 C ATOM 284 O GLY A 22 7.096 -7.768 0.634 1.00 0.00 O ATOM 0 H GLY A 22 9.306 -4.980 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.845 -7.755 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.373 -6.819 2.766 1.00 0.00 H new ATOM 288 N HIS A 23 7.264 -8.124 2.861 1.00 0.00 N ATOM 289 CA HIS A 23 5.959 -8.754 2.971 1.00 0.00 C ATOM 290 C HIS A 23 4.961 -7.763 3.573 1.00 0.00 C ATOM 291 O HIS A 23 5.039 -7.439 4.757 1.00 0.00 O ATOM 292 CB HIS A 23 6.051 -10.059 3.764 1.00 0.00 C ATOM 293 CG HIS A 23 7.458 -10.581 3.926 1.00 0.00 C ATOM 294 ND1 HIS A 23 8.529 -10.065 4.595 1.00 0.00 N flip ATOM 295 CD2 HIS A 23 7.886 -11.770 3.361 1.00 0.00 C flip ATOM 296 CE1 HIS A 23 9.555 -10.894 4.447 1.00 0.00 C flip ATOM 297 NE2 HIS A 23 9.159 -11.951 3.681 1.00 0.00 N flip ATOM 0 H HIS A 23 7.780 -8.054 3.738 1.00 0.00 H new ATOM 0 HA HIS A 23 5.596 -9.025 1.979 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.616 -9.904 4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.448 -10.818 3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.284 -12.437 2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.541 -10.755 4.864 1.00 0.00 H new ATOM 0 HE2 HIS A 23 9.741 -12.742 3.403 1.00 0.00 H new ATOM 305 N LEU A 24 4.045 -7.308 2.730 1.00 0.00 N ATOM 306 CA LEU A 24 3.033 -6.361 3.164 1.00 0.00 C ATOM 307 C LEU A 24 2.297 -6.928 4.379 1.00 0.00 C ATOM 308 O LEU A 24 2.221 -8.144 4.551 1.00 0.00 O ATOM 309 CB LEU A 24 2.109 -5.994 2.001 1.00 0.00 C ATOM 310 CG LEU A 24 2.194 -4.548 1.507 1.00 0.00 C ATOM 311 CD1 LEU A 24 3.287 -4.395 0.447 1.00 0.00 C ATOM 312 CD2 LEU A 24 0.835 -4.060 1.004 1.00 0.00 C ATOM 0 H LEU A 24 3.983 -7.578 1.748 1.00 0.00 H new ATOM 0 HA LEU A 24 3.497 -5.426 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.330 -6.656 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.081 -6.194 2.303 1.00 0.00 H new ATOM 0 HG LEU A 24 2.471 -3.914 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.327 -3.358 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.250 -4.676 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.064 -5.042 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.923 -3.030 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.504 -4.692 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.108 -4.110 1.814 1.00 0.00 H new ATOM 324 N SER A 25 1.773 -6.022 5.191 1.00 0.00 N ATOM 325 CA SER A 25 1.045 -6.417 6.385 1.00 0.00 C ATOM 326 C SER A 25 -0.135 -5.471 6.616 1.00 0.00 C ATOM 327 O SER A 25 -0.129 -4.338 6.137 1.00 0.00 O ATOM 328 CB SER A 25 1.962 -6.431 7.609 1.00 0.00 C ATOM 329 OG SER A 25 1.507 -7.340 8.607 1.00 0.00 O ATOM 0 H SER A 25 1.838 -5.015 5.045 1.00 0.00 H new ATOM 0 HA SER A 25 0.667 -7.428 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.971 -6.705 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.018 -5.428 8.031 1.00 0.00 H new ATOM 0 HG SER A 25 2.120 -7.321 9.371 1.00 0.00 H new ATOM 335 N PHE A 26 -1.118 -5.970 7.350 1.00 0.00 N ATOM 336 CA PHE A 26 -2.302 -5.184 7.651 1.00 0.00 C ATOM 337 C PHE A 26 -2.755 -5.405 9.095 1.00 0.00 C ATOM 338 O PHE A 26 -2.986 -6.539 9.511 1.00 0.00 O ATOM 339 CB PHE A 26 -3.406 -5.658 6.704 1.00 0.00 C ATOM 340 CG PHE A 26 -3.070 -5.489 5.221 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.406 -4.381 4.797 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.436 -6.447 4.328 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.094 -4.224 3.420 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.124 -6.289 2.951 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.460 -5.181 2.527 1.00 0.00 C ATOM 0 H PHE A 26 -1.119 -6.910 7.746 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.086 -4.123 7.525 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.613 -6.710 6.901 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.320 -5.107 6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.116 -3.620 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.963 -7.327 4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.566 -3.344 3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.414 -7.049 2.241 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.223 -5.061 1.480 1.00 0.00 H new ATOM 355 N SER A 27 -2.868 -4.302 9.821 1.00 0.00 N ATOM 356 CA SER A 27 -3.289 -4.361 11.211 1.00 0.00 C ATOM 357 C SER A 27 -4.311 -3.258 11.495 1.00 0.00 C ATOM 358 O SER A 27 -4.597 -2.434 10.628 1.00 0.00 O ATOM 359 CB SER A 27 -2.092 -4.232 12.155 1.00 0.00 C ATOM 360 OG SER A 27 -1.251 -5.381 12.111 1.00 0.00 O ATOM 0 H SER A 27 -2.675 -3.363 9.473 1.00 0.00 H new ATOM 0 HA SER A 27 -3.753 -5.331 11.387 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.513 -3.348 11.887 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.449 -4.083 13.174 1.00 0.00 H new ATOM 0 HG SER A 27 -0.498 -5.259 12.726 1.00 0.00 H new ATOM 366 N GLU A 28 -4.833 -3.279 12.713 1.00 0.00 N ATOM 367 CA GLU A 28 -5.817 -2.291 13.122 1.00 0.00 C ATOM 368 C GLU A 28 -6.835 -2.061 12.003 1.00 0.00 C ATOM 369 O GLU A 28 -7.108 -0.920 11.633 1.00 0.00 O ATOM 370 CB GLU A 28 -5.141 -0.980 13.527 1.00 0.00 C ATOM 371 CG GLU A 28 -4.336 -1.153 14.816 1.00 0.00 C ATOM 372 CD GLU A 28 -4.896 -0.274 15.936 1.00 0.00 C ATOM 373 OE1 GLU A 28 -6.069 -0.502 16.303 1.00 0.00 O ATOM 374 OE2 GLU A 28 -4.139 0.607 16.399 1.00 0.00 O ATOM 0 H GLU A 28 -4.593 -3.964 13.429 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.346 -2.673 13.995 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.483 -0.643 12.726 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.895 -0.206 13.666 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.357 -2.198 15.124 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.293 -0.895 14.634 1.00 0.00 H new ATOM 381 N ILE A 29 -7.368 -3.162 11.496 1.00 0.00 N ATOM 382 CA ILE A 29 -8.350 -3.095 10.427 1.00 0.00 C ATOM 383 C ILE A 29 -9.741 -2.890 11.030 1.00 0.00 C ATOM 384 O ILE A 29 -10.116 -3.574 11.982 1.00 0.00 O ATOM 385 CB ILE A 29 -8.246 -4.326 9.525 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.784 -4.671 9.234 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.056 -4.136 8.242 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.648 -5.395 7.893 1.00 0.00 C ATOM 0 H ILE A 29 -7.139 -4.106 11.806 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.152 -2.239 9.782 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.678 -5.175 10.055 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.187 -3.759 9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.389 -5.299 10.032 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.965 -5.026 7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.104 -3.975 8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.677 -3.271 7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.599 -5.629 7.710 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.227 -6.318 7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.021 -4.754 7.094 1.00 0.00 H new ATOM 400 N LEU A 30 -10.469 -1.946 10.452 1.00 0.00 N ATOM 401 CA LEU A 30 -11.810 -1.643 10.920 1.00 0.00 C ATOM 402 C LEU A 30 -12.818 -1.966 9.815 1.00 0.00 C ATOM 403 O LEU A 30 -12.843 -3.083 9.301 1.00 0.00 O ATOM 404 CB LEU A 30 -11.889 -0.200 11.422 1.00 0.00 C ATOM 405 CG LEU A 30 -11.041 0.130 12.652 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.374 -0.806 13.815 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.550 0.113 12.310 1.00 0.00 C ATOM 0 H LEU A 30 -10.155 -1.381 9.663 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.064 -2.268 11.776 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.589 0.463 10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.930 0.027 11.651 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.286 1.142 12.974 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.757 -0.550 14.676 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.426 -0.700 14.078 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.176 -1.837 13.521 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.970 0.351 13.201 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.271 -0.877 11.948 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.346 0.853 11.536 1.00 0.00 H new ATOM 419 N ASP A 31 -13.622 -0.967 9.481 1.00 0.00 N ATOM 420 CA ASP A 31 -14.628 -1.131 8.446 1.00 0.00 C ATOM 421 C ASP A 31 -14.228 -0.311 7.218 1.00 0.00 C ATOM 422 O ASP A 31 -14.592 -0.652 6.093 1.00 0.00 O ATOM 423 CB ASP A 31 -15.995 -0.634 8.922 1.00 0.00 C ATOM 424 CG ASP A 31 -15.970 0.693 9.685 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.875 1.047 10.172 1.00 0.00 O ATOM 426 OD2 ASP A 31 -17.047 1.322 9.763 1.00 0.00 O ATOM 0 H ASP A 31 -13.597 -0.041 9.909 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.694 -2.192 8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.648 -0.526 8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.439 -1.396 9.562 1.00 0.00 H new ATOM 431 N THR A 32 -13.485 0.755 7.474 1.00 0.00 N ATOM 432 CA THR A 32 -13.031 1.627 6.404 1.00 0.00 C ATOM 433 C THR A 32 -11.671 2.235 6.751 1.00 0.00 C ATOM 434 O THR A 32 -11.289 3.266 6.200 1.00 0.00 O ATOM 435 CB THR A 32 -14.119 2.674 6.154 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.062 3.515 7.303 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.527 2.078 6.198 1.00 0.00 C ATOM 0 H THR A 32 -13.186 1.035 8.408 1.00 0.00 H new ATOM 0 HA THR A 32 -12.876 1.071 5.480 1.00 0.00 H new ATOM 0 HB THR A 32 -13.954 3.144 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.734 4.224 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.260 2.863 6.015 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.620 1.308 5.432 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.705 1.637 7.179 1.00 0.00 H new ATOM 445 N SER A 33 -10.977 1.570 7.663 1.00 0.00 N ATOM 446 CA SER A 33 -9.667 2.031 8.090 1.00 0.00 C ATOM 447 C SER A 33 -8.792 0.838 8.478 1.00 0.00 C ATOM 448 O SER A 33 -9.222 -0.031 9.235 1.00 0.00 O ATOM 449 CB SER A 33 -9.782 3.008 9.262 1.00 0.00 C ATOM 450 OG SER A 33 -10.716 2.560 10.240 1.00 0.00 O ATOM 0 H SER A 33 -11.297 0.715 8.118 1.00 0.00 H new ATOM 0 HA SER A 33 -9.202 2.558 7.257 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.804 3.135 9.726 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.087 3.986 8.890 1.00 0.00 H new ATOM 0 HG SER A 33 -10.760 3.210 10.972 1.00 0.00 H new ATOM 456 N LEU A 34 -7.581 0.833 7.941 1.00 0.00 N ATOM 457 CA LEU A 34 -6.642 -0.240 8.221 1.00 0.00 C ATOM 458 C LEU A 34 -5.214 0.279 8.043 1.00 0.00 C ATOM 459 O LEU A 34 -4.962 1.140 7.202 1.00 0.00 O ATOM 460 CB LEU A 34 -6.961 -1.468 7.366 1.00 0.00 C ATOM 461 CG LEU A 34 -6.670 -1.338 5.870 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.164 -1.297 5.606 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.360 -2.451 5.078 1.00 0.00 C ATOM 0 H LEU A 34 -7.228 1.555 7.313 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.736 -0.568 9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.393 -2.314 7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.017 -1.709 7.491 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.084 -0.391 5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.985 -1.204 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.727 -0.442 6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.705 -2.215 5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.137 -2.335 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.998 -3.420 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.438 -2.392 5.230 1.00 0.00 H new ATOM 475 N LYS A 35 -4.315 -0.267 8.850 1.00 0.00 N ATOM 476 CA LYS A 35 -2.919 0.130 8.792 1.00 0.00 C ATOM 477 C LYS A 35 -2.172 -0.789 7.823 1.00 0.00 C ATOM 478 O LYS A 35 -2.372 -2.002 7.833 1.00 0.00 O ATOM 479 CB LYS A 35 -2.313 0.164 10.197 1.00 0.00 C ATOM 480 CG LYS A 35 -1.018 0.979 10.216 1.00 0.00 C ATOM 481 CD LYS A 35 0.178 0.117 9.805 1.00 0.00 C ATOM 482 CE LYS A 35 0.945 -0.377 11.034 1.00 0.00 C ATOM 483 NZ LYS A 35 1.288 -1.809 10.889 1.00 0.00 N ATOM 0 H LYS A 35 -4.527 -0.981 9.547 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.827 1.145 8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.029 0.596 10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.112 -0.853 10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.109 1.828 9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.853 1.384 11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.167 -0.736 9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.844 0.694 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.855 0.210 11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.342 -0.230 11.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.214 -1.990 11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.564 -2.389 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.328 -2.056 9.880 1.00 0.00 H new ATOM 497 N VAL A 36 -1.327 -0.174 7.008 1.00 0.00 N ATOM 498 CA VAL A 36 -0.549 -0.921 6.035 1.00 0.00 C ATOM 499 C VAL A 36 0.925 -0.906 6.446 1.00 0.00 C ATOM 500 O VAL A 36 1.428 0.107 6.929 1.00 0.00 O ATOM 501 CB VAL A 36 -0.784 -0.356 4.632 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.218 -0.937 3.632 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.223 -0.605 4.175 1.00 0.00 C ATOM 0 H VAL A 36 -1.164 0.833 7.002 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.869 -1.963 6.010 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.628 0.722 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.029 -0.519 2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.231 -0.685 3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.108 -2.021 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.364 -0.194 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.419 -1.677 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.913 -0.122 4.866 1.00 0.00 H new ATOM 513 N SER A 37 1.576 -2.041 6.238 1.00 0.00 N ATOM 514 CA SER A 37 2.982 -2.171 6.581 1.00 0.00 C ATOM 515 C SER A 37 3.704 -3.006 5.521 1.00 0.00 C ATOM 516 O SER A 37 3.078 -3.792 4.813 1.00 0.00 O ATOM 517 CB SER A 37 3.155 -2.804 7.964 1.00 0.00 C ATOM 518 OG SER A 37 4.155 -3.819 7.965 1.00 0.00 O ATOM 0 H SER A 37 1.156 -2.879 5.836 1.00 0.00 H new ATOM 0 HA SER A 37 3.421 -1.174 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.422 -2.032 8.685 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.206 -3.230 8.289 1.00 0.00 H new ATOM 0 HG SER A 37 4.236 -4.197 8.865 1.00 0.00 H new ATOM 524 N TRP A 38 5.012 -2.805 5.447 1.00 0.00 N ATOM 525 CA TRP A 38 5.826 -3.529 4.485 1.00 0.00 C ATOM 526 C TRP A 38 7.282 -3.453 4.946 1.00 0.00 C ATOM 527 O TRP A 38 7.585 -2.817 5.955 1.00 0.00 O ATOM 528 CB TRP A 38 5.617 -2.986 3.070 1.00 0.00 C ATOM 529 CG TRP A 38 5.957 -1.502 2.918 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.143 -0.953 2.623 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.046 -0.392 3.064 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.065 0.424 2.570 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.749 0.776 2.846 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.674 -0.375 3.370 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.164 2.046 2.911 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.104 0.903 3.432 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.798 2.087 3.215 1.00 0.00 C ATOM 0 H TRP A 38 5.528 -2.152 6.037 1.00 0.00 H new ATOM 0 HA TRP A 38 5.529 -4.577 4.440 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.230 -3.562 2.376 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.577 -3.142 2.782 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.047 -1.517 2.448 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.832 1.065 2.366 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.104 -1.276 3.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.735 2.946 2.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.052 0.973 3.665 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.286 3.035 3.281 1.00 0.00 H new ATOM 548 N GLN A 39 8.146 -4.110 4.186 1.00 0.00 N ATOM 549 CA GLN A 39 9.564 -4.124 4.504 1.00 0.00 C ATOM 550 C GLN A 39 10.378 -3.595 3.321 1.00 0.00 C ATOM 551 O GLN A 39 9.815 -3.218 2.295 1.00 0.00 O ATOM 552 CB GLN A 39 10.022 -5.528 4.902 1.00 0.00 C ATOM 553 CG GLN A 39 10.365 -5.591 6.392 1.00 0.00 C ATOM 554 CD GLN A 39 11.498 -6.586 6.652 1.00 0.00 C ATOM 555 OE1 GLN A 39 11.300 -7.788 6.719 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.693 -6.020 6.795 1.00 0.00 N ATOM 0 H GLN A 39 7.891 -4.637 3.350 1.00 0.00 H new ATOM 0 HA GLN A 39 9.732 -3.468 5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.236 -6.249 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.894 -5.811 4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.657 -4.602 6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.482 -5.883 6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.789 -5.007 6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.514 -6.599 6.972 1.00 0.00 H new ATOM 565 N GLU A 40 11.690 -3.586 3.505 1.00 0.00 N ATOM 566 CA GLU A 40 12.588 -3.111 2.466 1.00 0.00 C ATOM 567 C GLU A 40 12.768 -4.182 1.389 1.00 0.00 C ATOM 568 O GLU A 40 12.866 -5.369 1.698 1.00 0.00 O ATOM 569 CB GLU A 40 13.937 -2.693 3.055 1.00 0.00 C ATOM 570 CG GLU A 40 14.162 -1.188 2.896 1.00 0.00 C ATOM 571 CD GLU A 40 15.237 -0.690 3.864 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.696 -1.519 4.679 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.576 0.509 3.767 1.00 0.00 O ATOM 0 H GLU A 40 12.153 -3.900 4.358 1.00 0.00 H new ATOM 0 HA GLU A 40 12.143 -2.230 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.975 -2.960 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.739 -3.239 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.460 -0.967 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.228 -0.656 3.078 1.00 0.00 H new ATOM 580 N PRO A 41 12.807 -3.714 0.112 1.00 0.00 N ATOM 581 CA PRO A 41 12.974 -4.619 -1.012 1.00 0.00 C ATOM 582 C PRO A 41 14.420 -5.109 -1.111 1.00 0.00 C ATOM 583 O PRO A 41 15.348 -4.399 -0.728 1.00 0.00 O ATOM 584 CB PRO A 41 12.533 -3.820 -2.228 1.00 0.00 C ATOM 585 CG PRO A 41 12.578 -2.360 -1.807 1.00 0.00 C ATOM 586 CD PRO A 41 12.694 -2.316 -0.292 1.00 0.00 C ATOM 0 HA PRO A 41 12.381 -5.528 -0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.194 -4.002 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.528 -4.106 -2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.426 -1.855 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.679 -1.840 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.566 -1.741 0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.821 -1.843 0.158 1.00 0.00 H new ATOM 594 N GLY A 42 14.566 -6.321 -1.628 1.00 0.00 N ATOM 595 CA GLY A 42 15.883 -6.915 -1.782 1.00 0.00 C ATOM 596 C GLY A 42 16.659 -6.240 -2.915 1.00 0.00 C ATOM 597 O GLY A 42 17.880 -6.110 -2.844 1.00 0.00 O ATOM 0 H GLY A 42 13.794 -6.907 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.439 -6.822 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.784 -7.981 -1.989 1.00 0.00 H new ATOM 601 N GLU A 43 15.919 -5.829 -3.934 1.00 0.00 N ATOM 602 CA GLU A 43 16.522 -5.171 -5.080 1.00 0.00 C ATOM 603 C GLU A 43 16.652 -3.668 -4.822 1.00 0.00 C ATOM 604 O GLU A 43 16.339 -2.857 -5.692 1.00 0.00 O ATOM 605 CB GLU A 43 15.719 -5.442 -6.354 1.00 0.00 C ATOM 606 CG GLU A 43 16.308 -6.618 -7.134 1.00 0.00 C ATOM 607 CD GLU A 43 17.782 -6.372 -7.466 1.00 0.00 C ATOM 608 OE1 GLU A 43 18.030 -5.551 -8.375 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.627 -7.011 -6.802 1.00 0.00 O ATOM 0 H GLU A 43 14.906 -5.939 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 43 17.521 -5.582 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.682 -5.655 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.714 -4.551 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.211 -7.532 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.744 -6.767 -8.055 1.00 0.00 H new ATOM 616 N LYS A 44 17.113 -3.343 -3.624 1.00 0.00 N ATOM 617 CA LYS A 44 17.288 -1.953 -3.240 1.00 0.00 C ATOM 618 C LYS A 44 17.829 -1.164 -4.434 1.00 0.00 C ATOM 619 O LYS A 44 17.446 -0.014 -4.648 1.00 0.00 O ATOM 620 CB LYS A 44 18.160 -1.848 -1.988 1.00 0.00 C ATOM 621 CG LYS A 44 17.423 -2.388 -0.760 1.00 0.00 C ATOM 622 CD LYS A 44 18.079 -1.896 0.532 1.00 0.00 C ATOM 623 CE LYS A 44 17.157 -2.120 1.733 1.00 0.00 C ATOM 624 NZ LYS A 44 17.828 -2.958 2.752 1.00 0.00 N ATOM 0 H LYS A 44 17.371 -4.019 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 44 16.330 -1.509 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.084 -2.406 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.439 -0.808 -1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.381 -2.070 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.424 -3.478 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.021 -2.421 0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.316 -0.836 0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.878 -1.161 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.235 -2.602 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.382 -2.802 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.740 -3.961 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.834 -2.701 2.805 1.00 0.00 H new ATOM 638 N ASN A 45 18.711 -1.812 -5.181 1.00 0.00 N ATOM 639 CA ASN A 45 19.308 -1.185 -6.348 1.00 0.00 C ATOM 640 C ASN A 45 19.705 0.252 -6.002 1.00 0.00 C ATOM 641 O ASN A 45 19.754 1.114 -6.878 1.00 0.00 O ATOM 642 CB ASN A 45 18.318 -1.134 -7.513 1.00 0.00 C ATOM 643 CG ASN A 45 18.714 -2.122 -8.612 1.00 0.00 C ATOM 644 OD1 ASN A 45 17.791 -3.044 -8.869 1.00 0.00 O flip ATOM 645 ND2 ASN A 45 19.787 -2.051 -9.190 1.00 0.00 N flip ATOM 0 H ASN A 45 19.027 -2.765 -5.001 1.00 0.00 H new ATOM 0 HA ASN A 45 20.178 -1.774 -6.639 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.316 -1.367 -7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.284 -0.124 -7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.451 -1.317 -8.944 1.00 0.00 H new ATOM 0 HD22 ASN A 45 20.019 -2.725 -9.919 1.00 0.00 H new ATOM 652 N GLY A 46 19.979 0.465 -4.723 1.00 0.00 N ATOM 653 CA GLY A 46 20.371 1.782 -4.251 1.00 0.00 C ATOM 654 C GLY A 46 19.742 2.086 -2.890 1.00 0.00 C ATOM 655 O GLY A 46 19.419 1.172 -2.133 1.00 0.00 O ATOM 0 H GLY A 46 19.937 -0.253 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.457 1.836 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.064 2.538 -4.974 1.00 0.00 H new ATOM 659 N ILE A 47 19.586 3.374 -2.620 1.00 0.00 N ATOM 660 CA ILE A 47 19.002 3.810 -1.363 1.00 0.00 C ATOM 661 C ILE A 47 17.641 4.453 -1.635 1.00 0.00 C ATOM 662 O ILE A 47 17.567 5.621 -2.016 1.00 0.00 O ATOM 663 CB ILE A 47 19.972 4.719 -0.608 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.266 3.977 -0.265 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.309 5.318 0.634 1.00 0.00 C ATOM 666 CD1 ILE A 47 22.083 3.690 -1.526 1.00 0.00 C ATOM 0 H ILE A 47 19.854 4.130 -3.251 1.00 0.00 H new ATOM 0 HA ILE A 47 18.827 2.957 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 47 20.240 5.549 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.859 4.573 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.030 3.041 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.021 5.960 1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.441 5.905 0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.992 4.516 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.997 3.162 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 47 21.496 3.073 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.338 4.630 -2.016 1.00 0.00 H new ATOM 678 N LEU A 48 16.596 3.664 -1.428 1.00 0.00 N ATOM 679 CA LEU A 48 15.242 4.143 -1.647 1.00 0.00 C ATOM 680 C LEU A 48 15.128 5.584 -1.145 1.00 0.00 C ATOM 681 O LEU A 48 15.666 5.923 -0.092 1.00 0.00 O ATOM 682 CB LEU A 48 14.228 3.189 -1.012 1.00 0.00 C ATOM 683 CG LEU A 48 14.583 1.701 -1.064 1.00 0.00 C ATOM 684 CD1 LEU A 48 15.252 1.343 -2.393 1.00 0.00 C ATOM 685 CD2 LEU A 48 15.442 1.300 0.137 1.00 0.00 C ATOM 0 H LEU A 48 16.660 2.697 -1.111 1.00 0.00 H new ATOM 0 HA LEU A 48 15.010 4.157 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.095 3.474 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.267 3.330 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 48 13.658 1.127 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.494 0.280 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.573 1.569 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.167 1.925 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.680 0.238 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.365 1.880 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.894 1.496 1.058 1.00 0.00 H new ATOM 697 N THR A 49 14.423 6.393 -1.922 1.00 0.00 N ATOM 698 CA THR A 49 14.232 7.790 -1.570 1.00 0.00 C ATOM 699 C THR A 49 12.791 8.032 -1.116 1.00 0.00 C ATOM 700 O THR A 49 12.403 9.169 -0.850 1.00 0.00 O ATOM 701 CB THR A 49 14.641 8.641 -2.774 1.00 0.00 C ATOM 702 OG1 THR A 49 13.841 8.141 -3.841 1.00 0.00 O ATOM 703 CG2 THR A 49 16.077 8.366 -3.224 1.00 0.00 C ATOM 0 H THR A 49 13.977 6.108 -2.794 1.00 0.00 H new ATOM 0 HA THR A 49 14.859 8.075 -0.725 1.00 0.00 H new ATOM 0 HB THR A 49 14.534 9.697 -2.525 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.042 8.639 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.317 8.995 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.763 8.589 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.176 7.318 -3.505 1.00 0.00 H new ATOM 711 N GLY A 50 12.037 6.946 -1.042 1.00 0.00 N ATOM 712 CA GLY A 50 10.647 7.026 -0.625 1.00 0.00 C ATOM 713 C GLY A 50 9.882 5.762 -1.021 1.00 0.00 C ATOM 714 O GLY A 50 10.442 4.862 -1.645 1.00 0.00 O ATOM 0 H GLY A 50 12.362 6.005 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.595 7.163 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.177 7.898 -1.080 1.00 0.00 H new ATOM 718 N TYR A 51 8.612 5.735 -0.643 1.00 0.00 N ATOM 719 CA TYR A 51 7.764 4.596 -0.952 1.00 0.00 C ATOM 720 C TYR A 51 6.368 5.052 -1.382 1.00 0.00 C ATOM 721 O TYR A 51 5.725 5.835 -0.685 1.00 0.00 O ATOM 722 CB TYR A 51 7.647 3.794 0.346 1.00 0.00 C ATOM 723 CG TYR A 51 8.870 2.928 0.655 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.090 1.765 -0.055 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.755 3.311 1.643 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.241 0.950 0.236 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.906 2.496 1.933 1.00 0.00 C ATOM 728 CZ TYR A 51 11.092 1.356 1.215 1.00 0.00 C ATOM 729 OH TYR A 51 12.180 0.587 1.490 1.00 0.00 O ATOM 0 H TYR A 51 8.150 6.483 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 51 8.188 4.012 -1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.485 4.484 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.767 3.154 0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.399 1.466 -0.829 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.584 4.222 2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.424 0.037 -0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.606 2.784 2.704 1.00 0.00 H new ATOM 0 HH TYR A 51 12.905 1.154 1.827 1.00 0.00 H new ATOM 739 N ARG A 52 5.942 4.543 -2.529 1.00 0.00 N ATOM 740 CA ARG A 52 4.635 4.889 -3.061 1.00 0.00 C ATOM 741 C ARG A 52 3.605 3.827 -2.669 1.00 0.00 C ATOM 742 O ARG A 52 3.787 2.645 -2.956 1.00 0.00 O ATOM 743 CB ARG A 52 4.675 5.012 -4.585 1.00 0.00 C ATOM 744 CG ARG A 52 3.281 5.293 -5.150 1.00 0.00 C ATOM 745 CD ARG A 52 3.363 6.172 -6.400 1.00 0.00 C ATOM 746 NE ARG A 52 3.433 5.324 -7.611 1.00 0.00 N ATOM 747 CZ ARG A 52 3.268 5.783 -8.859 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.022 7.083 -9.068 1.00 0.00 N ATOM 749 NH2 ARG A 52 3.349 4.940 -9.898 1.00 0.00 N ATOM 0 H ARG A 52 6.479 3.894 -3.104 1.00 0.00 H new ATOM 0 HA ARG A 52 4.349 5.852 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.355 5.814 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.068 4.092 -5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.787 4.352 -5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.671 5.786 -4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.492 6.825 -6.453 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.241 6.815 -6.345 1.00 0.00 H new ATOM 0 HE ARG A 52 3.618 4.329 -7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.960 7.724 -8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.896 7.432 -10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.536 3.950 -9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.224 5.288 -10.848 1.00 0.00 H new ATOM 763 N ILE A 53 2.545 4.288 -2.020 1.00 0.00 N ATOM 764 CA ILE A 53 1.486 3.392 -1.586 1.00 0.00 C ATOM 765 C ILE A 53 0.177 3.790 -2.269 1.00 0.00 C ATOM 766 O ILE A 53 -0.049 4.966 -2.551 1.00 0.00 O ATOM 767 CB ILE A 53 1.400 3.365 -0.059 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.333 2.375 0.413 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.166 4.770 0.502 1.00 0.00 C ATOM 770 CD1 ILE A 53 -0.004 2.593 1.889 1.00 0.00 C ATOM 0 H ILE A 53 2.397 5.269 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 53 1.705 2.368 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 53 2.357 3.017 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.568 2.491 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.687 1.355 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.109 4.723 1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.991 5.420 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.232 5.169 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.765 1.876 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.893 2.452 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.381 3.606 2.030 1.00 0.00 H new ATOM 782 N SER A 54 -0.653 2.787 -2.516 1.00 0.00 N ATOM 783 CA SER A 54 -1.935 3.017 -3.161 1.00 0.00 C ATOM 784 C SER A 54 -2.938 1.945 -2.729 1.00 0.00 C ATOM 785 O SER A 54 -2.767 0.768 -3.043 1.00 0.00 O ATOM 786 CB SER A 54 -1.791 3.027 -4.684 1.00 0.00 C ATOM 787 OG SER A 54 -0.426 2.988 -5.091 1.00 0.00 O ATOM 0 H SER A 54 -0.463 1.813 -2.281 1.00 0.00 H new ATOM 0 HA SER A 54 -2.303 3.995 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.319 2.171 -5.104 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.264 3.922 -5.087 1.00 0.00 H new ATOM 0 HG SER A 54 -0.376 2.994 -6.070 1.00 0.00 H new ATOM 793 N TRP A 55 -3.962 2.391 -2.017 1.00 0.00 N ATOM 794 CA TRP A 55 -4.992 1.485 -1.539 1.00 0.00 C ATOM 795 C TRP A 55 -6.222 1.652 -2.435 1.00 0.00 C ATOM 796 O TRP A 55 -6.504 2.752 -2.909 1.00 0.00 O ATOM 797 CB TRP A 55 -5.294 1.728 -0.059 1.00 0.00 C ATOM 798 CG TRP A 55 -5.958 3.076 0.228 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.211 3.456 -0.058 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.349 4.215 0.872 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.454 4.751 0.353 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.285 5.227 0.937 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.051 4.385 1.383 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.023 6.479 1.505 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.804 5.642 1.948 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.736 6.671 2.021 1.00 0.00 C ATOM 0 H TRP A 55 -4.101 3.368 -1.759 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.653 0.451 -1.601 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.942 0.931 0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.364 1.665 0.506 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.939 2.828 -0.549 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.329 5.264 0.248 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.303 3.607 1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.773 7.255 1.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.821 5.825 2.356 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.468 7.614 2.474 1.00 0.00 H new ATOM 817 N GLU A 56 -6.920 0.545 -2.640 1.00 0.00 N ATOM 818 CA GLU A 56 -8.112 0.556 -3.470 1.00 0.00 C ATOM 819 C GLU A 56 -8.927 -0.719 -3.245 1.00 0.00 C ATOM 820 O GLU A 56 -8.542 -1.574 -2.448 1.00 0.00 O ATOM 821 CB GLU A 56 -7.750 0.721 -4.947 1.00 0.00 C ATOM 822 CG GLU A 56 -7.136 -0.563 -5.508 1.00 0.00 C ATOM 823 CD GLU A 56 -7.070 -0.517 -7.036 1.00 0.00 C ATOM 824 OE1 GLU A 56 -6.322 0.346 -7.546 1.00 0.00 O ATOM 825 OE2 GLU A 56 -7.767 -1.345 -7.660 1.00 0.00 O ATOM 0 H GLU A 56 -6.683 -0.365 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.724 1.411 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.642 0.981 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.046 1.545 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.134 -0.699 -5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.728 -1.422 -5.192 1.00 0.00 H new ATOM 832 N GLU A 57 -10.039 -0.807 -3.960 1.00 0.00 N ATOM 833 CA GLU A 57 -10.912 -1.964 -3.848 1.00 0.00 C ATOM 834 C GLU A 57 -10.319 -3.152 -4.608 1.00 0.00 C ATOM 835 O GLU A 57 -9.299 -3.015 -5.282 1.00 0.00 O ATOM 836 CB GLU A 57 -12.320 -1.639 -4.351 1.00 0.00 C ATOM 837 CG GLU A 57 -13.254 -1.304 -3.187 1.00 0.00 C ATOM 838 CD GLU A 57 -14.247 -2.441 -2.936 1.00 0.00 C ATOM 839 OE1 GLU A 57 -13.775 -3.594 -2.832 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.455 -2.131 -2.855 1.00 0.00 O ATOM 0 H GLU A 57 -10.356 -0.096 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.991 -2.234 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.278 -0.797 -5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.716 -2.488 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.668 -1.123 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.796 -0.384 -3.405 1.00 0.00 H new ATOM 847 N TYR A 58 -10.983 -4.290 -4.474 1.00 0.00 N ATOM 848 CA TYR A 58 -10.534 -5.501 -5.140 1.00 0.00 C ATOM 849 C TYR A 58 -10.336 -5.262 -6.638 1.00 0.00 C ATOM 850 O TYR A 58 -9.228 -5.408 -7.152 1.00 0.00 O ATOM 851 CB TYR A 58 -11.650 -6.529 -4.943 1.00 0.00 C ATOM 852 CG TYR A 58 -11.555 -7.738 -5.876 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.426 -8.532 -5.863 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.597 -8.034 -6.730 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.336 -9.670 -6.741 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.507 -9.172 -7.608 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.381 -9.934 -7.570 1.00 0.00 C ATOM 858 OH TYR A 58 -11.296 -11.008 -8.400 1.00 0.00 O ATOM 0 H TYR A 58 -11.829 -4.399 -3.914 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.581 -5.834 -4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.631 -6.878 -3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.612 -6.040 -5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.610 -8.300 -5.194 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.480 -7.412 -6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.458 -10.299 -6.741 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.316 -9.415 -8.282 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.115 -11.075 -8.934 1.00 0.00 H new ATOM 868 N ASN A 59 -11.427 -4.899 -7.296 1.00 0.00 N ATOM 869 CA ASN A 59 -11.387 -4.638 -8.725 1.00 0.00 C ATOM 870 C ASN A 59 -12.091 -3.311 -9.017 1.00 0.00 C ATOM 871 O ASN A 59 -13.061 -3.272 -9.772 1.00 0.00 O ATOM 872 CB ASN A 59 -12.108 -5.738 -9.506 1.00 0.00 C ATOM 873 CG ASN A 59 -13.542 -5.917 -9.003 1.00 0.00 C ATOM 874 OD1 ASN A 59 -14.023 -5.192 -8.149 1.00 0.00 O ATOM 875 ND2 ASN A 59 -14.196 -6.922 -9.580 1.00 0.00 N ATOM 0 H ASN A 59 -12.344 -4.779 -6.866 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.342 -4.604 -9.032 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.119 -5.488 -10.567 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.564 -6.677 -9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.160 -7.123 -9.313 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.734 -7.491 -10.289 1.00 0.00 H new ATOM 882 N ARG A 60 -11.576 -2.257 -8.402 1.00 0.00 N ATOM 883 CA ARG A 60 -12.144 -0.932 -8.587 1.00 0.00 C ATOM 884 C ARG A 60 -11.090 0.141 -8.304 1.00 0.00 C ATOM 885 O ARG A 60 -10.859 0.501 -7.150 1.00 0.00 O ATOM 886 CB ARG A 60 -13.344 -0.714 -7.664 1.00 0.00 C ATOM 887 CG ARG A 60 -13.982 -2.047 -7.269 1.00 0.00 C ATOM 888 CD ARG A 60 -15.098 -1.839 -6.243 1.00 0.00 C ATOM 889 NE ARG A 60 -16.315 -2.567 -6.665 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.536 -2.346 -6.159 1.00 0.00 C ATOM 891 NH1 ARG A 60 -17.709 -1.416 -5.210 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.583 -3.055 -6.602 1.00 0.00 N ATOM 0 H ARG A 60 -10.772 -2.293 -7.775 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.477 -0.855 -9.622 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.026 -0.180 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.083 -0.087 -8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.385 -2.538 -8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.222 -2.710 -6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.774 -2.192 -5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.317 -0.776 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.219 -3.282 -7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.912 -0.877 -4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.638 -1.247 -4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.451 -3.763 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.512 -2.887 -6.217 1.00 0.00 H new ATOM 906 N THR A 61 -10.479 0.622 -9.376 1.00 0.00 N ATOM 907 CA THR A 61 -9.455 1.647 -9.258 1.00 0.00 C ATOM 908 C THR A 61 -10.093 3.006 -8.965 1.00 0.00 C ATOM 909 O THR A 61 -9.397 3.961 -8.621 1.00 0.00 O ATOM 910 CB THR A 61 -8.620 1.631 -10.540 1.00 0.00 C ATOM 911 OG1 THR A 61 -7.967 0.364 -10.513 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.472 2.642 -10.503 1.00 0.00 C ATOM 0 H THR A 61 -10.673 0.321 -10.331 1.00 0.00 H new ATOM 0 HA THR A 61 -8.790 1.447 -8.418 1.00 0.00 H new ATOM 0 HB THR A 61 -9.263 1.842 -11.395 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.968 0.015 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.911 2.590 -11.436 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.876 3.647 -10.378 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.810 2.411 -9.668 1.00 0.00 H new ATOM 920 N ASN A 62 -11.409 3.051 -9.113 1.00 0.00 N ATOM 921 CA ASN A 62 -12.148 4.278 -8.868 1.00 0.00 C ATOM 922 C ASN A 62 -11.987 4.682 -7.401 1.00 0.00 C ATOM 923 O ASN A 62 -12.258 5.824 -7.035 1.00 0.00 O ATOM 924 CB ASN A 62 -13.640 4.086 -9.144 1.00 0.00 C ATOM 925 CG ASN A 62 -14.303 5.412 -9.522 1.00 0.00 C ATOM 926 OD1 ASN A 62 -13.678 6.459 -9.562 1.00 0.00 O ATOM 927 ND2 ASN A 62 -15.600 5.309 -9.797 1.00 0.00 N ATOM 0 H ASN A 62 -11.982 2.258 -9.399 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.754 5.047 -9.532 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.774 3.365 -9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.126 3.671 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.133 6.138 -10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.062 4.401 -9.744 1.00 0.00 H new ATOM 934 N THR A 63 -11.546 3.722 -6.601 1.00 0.00 N ATOM 935 CA THR A 63 -11.345 3.963 -5.183 1.00 0.00 C ATOM 936 C THR A 63 -9.863 3.836 -4.824 1.00 0.00 C ATOM 937 O THR A 63 -9.521 3.356 -3.745 1.00 0.00 O ATOM 938 CB THR A 63 -12.243 2.998 -4.407 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.525 1.767 -4.423 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.543 2.681 -5.151 1.00 0.00 C ATOM 0 H THR A 63 -11.322 2.776 -6.909 1.00 0.00 H new ATOM 0 HA THR A 63 -11.626 4.981 -4.912 1.00 0.00 H new ATOM 0 HB THR A 63 -12.478 3.425 -3.432 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.399 1.474 -5.350 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.144 1.992 -4.557 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.103 3.602 -5.314 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.310 2.223 -6.112 1.00 0.00 H new ATOM 948 N ARG A 64 -9.024 4.273 -5.751 1.00 0.00 N ATOM 949 CA ARG A 64 -7.586 4.214 -5.546 1.00 0.00 C ATOM 950 C ARG A 64 -7.051 5.588 -5.138 1.00 0.00 C ATOM 951 O ARG A 64 -7.571 6.615 -5.572 1.00 0.00 O ATOM 952 CB ARG A 64 -6.868 3.751 -6.815 1.00 0.00 C ATOM 953 CG ARG A 64 -5.450 3.270 -6.499 1.00 0.00 C ATOM 954 CD ARG A 64 -4.445 3.819 -7.513 1.00 0.00 C ATOM 955 NE ARG A 64 -3.469 2.769 -7.878 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.559 2.895 -8.854 1.00 0.00 C ATOM 957 NH1 ARG A 64 -2.494 4.028 -9.567 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.714 1.889 -9.115 1.00 0.00 N ATOM 0 H ARG A 64 -9.312 4.669 -6.646 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.394 3.495 -4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.433 2.945 -7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.826 4.570 -7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.170 3.589 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.422 2.180 -6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.968 4.166 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.925 4.680 -7.093 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.490 1.894 -7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.137 4.794 -9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.802 4.124 -10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.763 1.028 -8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.021 1.984 -9.858 1.00 0.00 H new ATOM 972 N VAL A 65 -6.019 5.563 -4.307 1.00 0.00 N ATOM 973 CA VAL A 65 -5.408 6.793 -3.835 1.00 0.00 C ATOM 974 C VAL A 65 -3.902 6.744 -4.098 1.00 0.00 C ATOM 975 O VAL A 65 -3.337 5.668 -4.287 1.00 0.00 O ATOM 976 CB VAL A 65 -5.750 7.015 -2.360 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.994 6.030 -1.467 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.469 8.460 -1.943 1.00 0.00 C ATOM 0 H VAL A 65 -5.591 4.709 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.805 7.649 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.817 6.831 -2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.255 6.210 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.266 5.010 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.921 6.167 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.721 8.590 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.413 8.683 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.073 9.137 -2.547 1.00 0.00 H new ATOM 988 N THR A 66 -3.295 7.921 -4.102 1.00 0.00 N ATOM 989 CA THR A 66 -1.865 8.026 -4.339 1.00 0.00 C ATOM 990 C THR A 66 -1.197 8.833 -3.224 1.00 0.00 C ATOM 991 O THR A 66 -1.413 10.039 -3.112 1.00 0.00 O ATOM 992 CB THR A 66 -1.659 8.626 -5.731 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.300 7.701 -6.606 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.194 8.599 -6.169 1.00 0.00 C ATOM 0 H THR A 66 -3.767 8.811 -3.945 1.00 0.00 H new ATOM 0 HA THR A 66 -1.388 7.046 -4.318 1.00 0.00 H new ATOM 0 HB THR A 66 -2.022 9.654 -5.740 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.216 8.014 -7.531 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.103 9.036 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.407 9.173 -5.464 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.160 7.568 -6.192 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.400 8.136 -2.428 1.00 0.00 N ATOM 1003 CA HIS A 67 0.301 8.773 -1.327 1.00 0.00 C ATOM 1004 C HIS A 67 1.809 8.585 -1.500 1.00 0.00 C ATOM 1005 O HIS A 67 2.247 7.725 -2.263 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.211 8.251 0.017 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.329 9.074 0.610 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.398 8.706 1.374 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.425 10.444 0.438 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.107 9.793 1.654 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.506 10.871 1.074 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.224 7.136 -2.524 1.00 0.00 H new ATOM 0 HA HIS A 67 0.101 9.844 -1.336 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.557 7.225 -0.111 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.619 8.221 0.723 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.615 7.757 1.678 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.736 11.060 -0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.011 9.819 2.244 1.00 0.00 H new ATOM 1019 N TYR A 68 2.562 9.403 -0.780 1.00 0.00 N ATOM 1020 CA TYR A 68 4.012 9.338 -0.845 1.00 0.00 C ATOM 1021 C TYR A 68 4.624 9.325 0.557 1.00 0.00 C ATOM 1022 O TYR A 68 4.207 10.088 1.427 1.00 0.00 O ATOM 1023 CB TYR A 68 4.460 10.608 -1.572 1.00 0.00 C ATOM 1024 CG TYR A 68 4.118 10.625 -3.063 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.510 9.579 -3.873 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.416 11.686 -3.597 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.188 9.596 -5.276 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.094 11.703 -5.001 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.496 10.656 -5.771 1.00 0.00 C ATOM 1030 OH TYR A 68 3.192 10.672 -7.097 1.00 0.00 O ATOM 0 H TYR A 68 2.195 10.115 -0.148 1.00 0.00 H new ATOM 0 HA TYR A 68 4.332 8.429 -1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.997 11.471 -1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.538 10.720 -1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.058 8.748 -3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.108 12.504 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.490 8.784 -5.921 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.546 12.528 -5.432 1.00 0.00 H new ATOM 0 HH TYR A 68 2.695 11.490 -7.309 1.00 0.00 H new ATOM 1040 N LEU A 69 5.602 8.449 0.733 1.00 0.00 N ATOM 1041 CA LEU A 69 6.275 8.326 2.015 1.00 0.00 C ATOM 1042 C LEU A 69 7.789 8.342 1.795 1.00 0.00 C ATOM 1043 O LEU A 69 8.262 8.090 0.688 1.00 0.00 O ATOM 1044 CB LEU A 69 5.777 7.089 2.766 1.00 0.00 C ATOM 1045 CG LEU A 69 4.266 6.849 2.733 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.936 5.391 3.057 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.536 7.822 3.662 1.00 0.00 C ATOM 0 H LEU A 69 5.945 7.817 0.009 1.00 0.00 H new ATOM 0 HA LEU A 69 6.035 9.176 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.274 6.212 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.090 7.170 3.807 1.00 0.00 H new ATOM 0 HG LEU A 69 3.911 7.043 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.856 5.247 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.410 4.739 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.307 5.146 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.464 7.630 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.889 7.684 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.734 8.846 3.345 1.00 0.00 H new ATOM 1059 N PRO A 70 8.527 8.650 2.895 1.00 0.00 N ATOM 1060 CA PRO A 70 9.978 8.702 2.833 1.00 0.00 C ATOM 1061 C PRO A 70 10.576 7.295 2.783 1.00 0.00 C ATOM 1062 O PRO A 70 9.851 6.305 2.875 1.00 0.00 O ATOM 1063 CB PRO A 70 10.396 9.482 4.069 1.00 0.00 C ATOM 1064 CG PRO A 70 9.207 9.435 5.014 1.00 0.00 C ATOM 1065 CD PRO A 70 8.001 8.954 4.223 1.00 0.00 C ATOM 0 HA PRO A 70 10.343 9.188 1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.279 9.039 4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.652 10.510 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.409 8.763 5.848 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.017 10.421 5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.552 8.073 4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.227 9.720 4.177 1.00 0.00 H new ATOM 1073 N ASN A 71 11.892 7.251 2.637 1.00 0.00 N ATOM 1074 CA ASN A 71 12.596 5.981 2.573 1.00 0.00 C ATOM 1075 C ASN A 71 12.915 5.509 3.993 1.00 0.00 C ATOM 1076 O ASN A 71 13.868 4.759 4.202 1.00 0.00 O ATOM 1077 CB ASN A 71 13.916 6.121 1.813 1.00 0.00 C ATOM 1078 CG ASN A 71 14.829 7.149 2.484 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.450 8.281 2.738 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.049 6.695 2.754 1.00 0.00 N ATOM 0 H ASN A 71 12.490 8.074 2.561 1.00 0.00 H new ATOM 0 HA ASN A 71 11.957 5.266 2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.419 5.155 1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.717 6.422 0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.733 7.306 3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.301 5.736 2.515 1.00 0.00 H new ATOM 1087 N VAL A 72 12.101 5.966 4.932 1.00 0.00 N ATOM 1088 CA VAL A 72 12.285 5.599 6.326 1.00 0.00 C ATOM 1089 C VAL A 72 11.032 4.880 6.830 1.00 0.00 C ATOM 1090 O VAL A 72 11.117 4.004 7.689 1.00 0.00 O ATOM 1091 CB VAL A 72 12.635 6.839 7.152 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.817 7.591 6.537 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.420 7.757 7.304 1.00 0.00 C ATOM 0 H VAL A 72 11.312 6.588 4.755 1.00 0.00 H new ATOM 0 HA VAL A 72 13.121 4.908 6.431 1.00 0.00 H new ATOM 0 HB VAL A 72 12.930 6.507 8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.045 8.468 7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.688 6.936 6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.561 7.906 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.696 8.630 7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.081 8.078 6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.617 7.218 7.807 1.00 0.00 H new ATOM 1103 N THR A 73 9.897 5.277 6.273 1.00 0.00 N ATOM 1104 CA THR A 73 8.627 4.682 6.655 1.00 0.00 C ATOM 1105 C THR A 73 8.282 3.519 5.722 1.00 0.00 C ATOM 1106 O THR A 73 8.594 3.559 4.533 1.00 0.00 O ATOM 1107 CB THR A 73 7.570 5.787 6.665 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.752 6.430 7.924 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.145 5.234 6.731 1.00 0.00 C ATOM 0 H THR A 73 9.830 6.003 5.560 1.00 0.00 H new ATOM 0 HA THR A 73 8.677 4.252 7.655 1.00 0.00 H new ATOM 0 HB THR A 73 7.679 6.402 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.107 7.162 8.014 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.434 6.060 6.736 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.960 4.601 5.863 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.024 4.647 7.641 1.00 0.00 H new ATOM 1117 N LEU A 74 7.642 2.511 6.297 1.00 0.00 N ATOM 1118 CA LEU A 74 7.251 1.339 5.532 1.00 0.00 C ATOM 1119 C LEU A 74 5.828 0.934 5.921 1.00 0.00 C ATOM 1120 O LEU A 74 5.371 -0.154 5.572 1.00 0.00 O ATOM 1121 CB LEU A 74 8.279 0.219 5.705 1.00 0.00 C ATOM 1122 CG LEU A 74 9.741 0.660 5.806 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.495 -0.177 6.840 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.419 0.625 4.435 1.00 0.00 C ATOM 0 H LEU A 74 7.385 2.482 7.284 1.00 0.00 H new ATOM 0 HA LEU A 74 7.238 1.566 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.027 -0.343 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.184 -0.467 4.863 1.00 0.00 H new ATOM 0 HG LEU A 74 9.764 1.694 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.531 0.157 6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.026 -0.058 7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.466 -1.227 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.457 0.943 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.386 -0.390 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.897 1.297 3.754 1.00 0.00 H new ATOM 1136 N GLU A 75 5.167 1.830 6.639 1.00 0.00 N ATOM 1137 CA GLU A 75 3.805 1.578 7.079 1.00 0.00 C ATOM 1138 C GLU A 75 2.991 2.874 7.053 1.00 0.00 C ATOM 1139 O GLU A 75 3.542 3.960 7.224 1.00 0.00 O ATOM 1140 CB GLU A 75 3.787 0.948 8.473 1.00 0.00 C ATOM 1141 CG GLU A 75 4.001 2.006 9.557 1.00 0.00 C ATOM 1142 CD GLU A 75 4.649 1.394 10.800 1.00 0.00 C ATOM 1143 OE1 GLU A 75 3.880 0.931 11.671 1.00 0.00 O ATOM 1144 OE2 GLU A 75 5.897 1.404 10.852 1.00 0.00 O ATOM 0 H GLU A 75 5.549 2.731 6.927 1.00 0.00 H new ATOM 0 HA GLU A 75 3.346 0.869 6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.834 0.444 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.566 0.189 8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.632 2.806 9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.045 2.456 9.825 1.00 0.00 H new ATOM 1151 N TYR A 76 1.693 2.716 6.838 1.00 0.00 N ATOM 1152 CA TYR A 76 0.798 3.859 6.787 1.00 0.00 C ATOM 1153 C TYR A 76 -0.640 3.444 7.102 1.00 0.00 C ATOM 1154 O TYR A 76 -1.019 2.293 6.889 1.00 0.00 O ATOM 1155 CB TYR A 76 0.862 4.381 5.350 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.034 5.593 5.088 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.358 5.409 4.743 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.480 6.869 5.196 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.202 6.550 4.496 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.364 8.009 4.949 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.663 7.793 4.611 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.461 8.870 4.378 1.00 0.00 O ATOM 0 H TYR A 76 1.240 1.813 6.697 1.00 0.00 H new ATOM 0 HA TYR A 76 1.094 4.611 7.519 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.893 4.647 5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.578 3.578 4.670 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.761 4.410 4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.516 7.013 5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.240 6.421 4.226 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.026 9.013 5.030 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.943 9.693 4.498 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.402 4.404 7.605 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.791 4.152 7.952 1.00 0.00 C ATOM 1174 C ARG A 77 -3.702 4.485 6.769 1.00 0.00 C ATOM 1175 O ARG A 77 -3.714 5.618 6.290 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.215 4.985 9.164 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.618 4.593 9.634 1.00 0.00 C ATOM 1178 CD ARG A 77 -4.614 4.215 11.116 1.00 0.00 C ATOM 1179 NE ARG A 77 -3.850 5.217 11.893 1.00 0.00 N ATOM 1180 CZ ARG A 77 -4.289 6.454 12.160 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -5.490 6.849 11.715 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -3.528 7.296 12.872 1.00 0.00 N ATOM 0 H ARG A 77 -1.084 5.357 7.781 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.885 3.095 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.502 4.842 9.976 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.196 6.044 8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.306 5.422 9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.982 3.754 9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.637 4.158 11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.172 3.227 11.247 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.932 4.949 12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.069 6.208 11.173 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.825 7.791 11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.614 6.995 13.211 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.862 8.238 13.075 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.443 3.477 6.333 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.355 3.648 5.215 1.00 0.00 C ATOM 1198 C VAL A 78 -6.739 4.031 5.745 1.00 0.00 C ATOM 1199 O VAL A 78 -7.119 3.628 6.843 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.373 2.383 4.355 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.356 2.524 3.192 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -3.970 2.044 3.849 1.00 0.00 C ATOM 0 H VAL A 78 -4.430 2.539 6.734 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.019 4.459 4.569 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.712 1.558 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.349 1.611 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.359 2.695 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.061 3.367 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.011 1.141 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.591 2.870 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.307 1.879 4.698 1.00 0.00 H new ATOM 1212 N THR A 79 -7.453 4.803 4.940 1.00 0.00 N ATOM 1213 CA THR A 79 -8.786 5.244 5.314 1.00 0.00 C ATOM 1214 C THR A 79 -9.602 5.594 4.068 1.00 0.00 C ATOM 1215 O THR A 79 -9.047 6.035 3.063 1.00 0.00 O ATOM 1216 CB THR A 79 -8.640 6.411 6.293 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.733 7.298 5.643 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.914 6.011 7.578 1.00 0.00 C ATOM 0 H THR A 79 -7.134 5.135 4.030 1.00 0.00 H new ATOM 0 HA THR A 79 -9.340 4.449 5.813 1.00 0.00 H new ATOM 0 HB THR A 79 -9.627 6.802 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.583 8.084 6.208 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.838 6.876 8.237 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.472 5.220 8.080 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.914 5.651 7.334 1.00 0.00 H new ATOM 1226 N GLY A 80 -10.906 5.384 4.175 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.803 5.672 3.069 1.00 0.00 C ATOM 1228 C GLY A 80 -12.158 4.395 2.305 1.00 0.00 C ATOM 1229 O GLY A 80 -12.517 4.451 1.130 1.00 0.00 O ATOM 0 H GLY A 80 -11.363 5.018 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.713 6.139 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.334 6.387 2.392 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.045 3.275 3.003 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.349 1.986 2.404 1.00 0.00 C ATOM 1235 C LEU A 81 -13.835 1.677 2.598 1.00 0.00 C ATOM 1236 O LEU A 81 -14.651 2.589 2.727 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.419 0.905 2.958 1.00 0.00 C ATOM 1238 CG LEU A 81 -9.984 1.344 3.256 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.301 0.369 4.218 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.187 1.526 1.963 1.00 0.00 C ATOM 0 H LEU A 81 -11.747 3.233 3.978 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.165 2.012 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.856 0.513 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.385 0.082 2.244 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.019 2.314 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.282 0.704 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.857 0.333 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.277 -0.625 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.171 1.838 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.158 0.583 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.664 2.287 1.346 1.00 0.00 H new ATOM 1252 N THR A 82 -14.142 0.388 2.613 1.00 0.00 N ATOM 1253 CA THR A 82 -15.515 -0.053 2.789 1.00 0.00 C ATOM 1254 C THR A 82 -15.578 -1.223 3.772 1.00 0.00 C ATOM 1255 O THR A 82 -14.684 -2.068 3.795 1.00 0.00 O ATOM 1256 CB THR A 82 -16.085 -0.387 1.409 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.750 0.745 0.611 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.615 -0.412 1.397 1.00 0.00 C ATOM 0 H THR A 82 -13.463 -0.365 2.506 1.00 0.00 H new ATOM 0 HA THR A 82 -16.129 0.733 3.229 1.00 0.00 H new ATOM 0 HB THR A 82 -15.704 -1.355 1.084 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.829 0.656 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.967 -0.654 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.972 -1.166 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.997 0.566 1.690 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.642 -1.236 4.561 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.833 -2.288 5.544 1.00 0.00 C ATOM 1268 C ALA A 83 -17.097 -3.612 4.822 1.00 0.00 C ATOM 1269 O ALA A 83 -17.843 -3.652 3.845 1.00 0.00 O ATOM 1270 CB ALA A 83 -17.972 -1.903 6.490 1.00 0.00 C ATOM 0 H ALA A 83 -17.381 -0.534 4.539 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.936 -2.415 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.115 -2.693 7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.723 -0.972 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.890 -1.770 5.918 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.471 -4.662 5.332 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.629 -5.983 4.749 1.00 0.00 C ATOM 1278 C LEU A 84 -16.461 -5.889 3.231 1.00 0.00 C ATOM 1279 O LEU A 84 -17.353 -6.280 2.479 1.00 0.00 O ATOM 1280 CB LEU A 84 -17.957 -6.606 5.184 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.192 -6.700 6.693 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.278 -7.729 7.015 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -16.886 -6.994 7.433 1.00 0.00 C ATOM 0 H LEU A 84 -15.853 -4.625 6.143 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.854 -6.656 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.769 -6.025 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.020 -7.610 4.763 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.551 -5.733 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.426 -7.777 8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.211 -7.436 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -18.972 -8.708 6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.080 -7.056 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.475 -7.941 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.170 -6.195 7.240 1.00 0.00 H new ATOM 1295 N THR A 85 -15.312 -5.369 2.826 1.00 0.00 N ATOM 1296 CA THR A 85 -15.017 -5.219 1.411 1.00 0.00 C ATOM 1297 C THR A 85 -13.563 -5.603 1.127 1.00 0.00 C ATOM 1298 O THR A 85 -12.674 -5.319 1.928 1.00 0.00 O ATOM 1299 CB THR A 85 -15.356 -3.783 1.007 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.763 -3.808 0.783 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.769 -3.403 -0.354 1.00 0.00 C ATOM 0 H THR A 85 -14.574 -5.046 3.452 1.00 0.00 H new ATOM 0 HA THR A 85 -15.623 -5.893 0.806 1.00 0.00 H new ATOM 0 HB THR A 85 -14.985 -3.095 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.232 -3.768 1.643 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.039 -2.374 -0.592 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.683 -3.494 -0.320 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.166 -4.069 -1.120 1.00 0.00 H new ATOM 1309 N THR A 86 -13.367 -6.242 -0.017 1.00 0.00 N ATOM 1310 CA THR A 86 -12.036 -6.668 -0.417 1.00 0.00 C ATOM 1311 C THR A 86 -11.274 -5.506 -1.056 1.00 0.00 C ATOM 1312 O THR A 86 -11.708 -4.955 -2.066 1.00 0.00 O ATOM 1313 CB THR A 86 -12.185 -7.878 -1.342 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.018 -8.774 -0.610 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.874 -8.647 -1.516 1.00 0.00 C ATOM 0 H THR A 86 -14.107 -6.475 -0.679 1.00 0.00 H new ATOM 0 HA THR A 86 -11.442 -6.971 0.445 1.00 0.00 H new ATOM 0 HB THR A 86 -12.544 -7.548 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.168 -9.586 -1.138 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.035 -9.495 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.120 -7.988 -1.945 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.532 -9.007 -0.546 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.151 -5.167 -0.440 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.324 -4.080 -0.936 1.00 0.00 C ATOM 1325 C TYR A 87 -7.907 -4.567 -1.247 1.00 0.00 C ATOM 1326 O TYR A 87 -7.475 -5.599 -0.736 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.259 -3.050 0.194 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.376 -2.006 0.148 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.651 -2.341 0.558 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.109 -0.729 -0.302 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.703 -1.358 0.515 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.161 0.254 -0.345 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.406 -0.109 0.066 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.398 0.820 0.025 1.00 0.00 O ATOM 0 H TYR A 87 -9.794 -5.626 0.398 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.742 -3.668 -1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.302 -3.571 1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.297 -2.540 0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.860 -3.340 0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.111 -0.467 -0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.705 -1.607 0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -10.966 1.257 -0.696 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.412 1.245 -0.858 1.00 0.00 H new ATOM 1344 N THR A 88 -7.223 -3.801 -2.085 1.00 0.00 N ATOM 1345 CA THR A 88 -5.864 -4.141 -2.470 1.00 0.00 C ATOM 1346 C THR A 88 -4.920 -2.973 -2.182 1.00 0.00 C ATOM 1347 O THR A 88 -5.088 -1.884 -2.729 1.00 0.00 O ATOM 1348 CB THR A 88 -5.881 -4.560 -3.942 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.932 -5.984 -3.897 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.561 -4.257 -4.652 1.00 0.00 C ATOM 0 H THR A 88 -7.585 -2.946 -2.508 1.00 0.00 H new ATOM 0 HA THR A 88 -5.484 -4.977 -1.883 1.00 0.00 H new ATOM 0 HB THR A 88 -6.695 -4.048 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.948 -6.340 -4.810 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.627 -4.574 -5.693 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.363 -3.186 -4.610 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.751 -4.795 -4.159 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.946 -3.239 -1.323 1.00 0.00 N ATOM 1359 CA ILE A 89 -2.975 -2.223 -0.956 1.00 0.00 C ATOM 1360 C ILE A 89 -1.677 -2.461 -1.730 1.00 0.00 C ATOM 1361 O ILE A 89 -1.029 -3.494 -1.561 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.787 -2.185 0.562 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.136 -2.238 1.283 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -1.959 -0.969 0.983 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.168 -1.353 0.580 1.00 0.00 C ATOM 0 H ILE A 89 -3.809 -4.143 -0.871 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.336 -1.233 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.228 -3.072 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.495 -3.267 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.014 -1.911 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.841 -0.967 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.978 -1.016 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.468 -0.057 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.118 -1.408 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.817 -0.321 0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.306 -1.698 -0.445 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.335 -1.489 -2.562 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.125 -1.580 -3.363 1.00 0.00 C ATOM 1379 C GLU A 90 0.972 -0.695 -2.769 1.00 0.00 C ATOM 1380 O GLU A 90 0.788 0.511 -2.617 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.403 -1.205 -4.820 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.720 -1.817 -5.302 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.767 -0.732 -5.561 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.400 0.264 -6.222 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.910 -0.922 -5.093 1.00 0.00 O ATOM 0 H GLU A 90 -1.874 -0.634 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 90 0.221 -2.614 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.444 -0.120 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.416 -1.551 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.548 -2.386 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.094 -2.518 -4.555 1.00 0.00 H new ATOM 1392 N VAL A 91 2.091 -1.329 -2.449 1.00 0.00 N ATOM 1393 CA VAL A 91 3.218 -0.615 -1.874 1.00 0.00 C ATOM 1394 C VAL A 91 4.427 -0.748 -2.803 1.00 0.00 C ATOM 1395 O VAL A 91 4.913 -1.853 -3.040 1.00 0.00 O ATOM 1396 CB VAL A 91 3.493 -1.123 -0.458 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.759 -0.485 0.118 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.291 -0.878 0.456 1.00 0.00 C ATOM 0 H VAL A 91 2.241 -2.330 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 91 2.992 0.447 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 91 3.657 -2.199 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.931 -0.864 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.612 -0.734 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.637 0.598 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.513 -1.249 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.082 0.191 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.420 -1.401 0.060 1.00 0.00 H new ATOM 1408 N ALA A 92 4.878 0.393 -3.302 1.00 0.00 N ATOM 1409 CA ALA A 92 6.021 0.417 -4.199 1.00 0.00 C ATOM 1410 C ALA A 92 7.142 1.246 -3.568 1.00 0.00 C ATOM 1411 O ALA A 92 6.881 2.132 -2.756 1.00 0.00 O ATOM 1412 CB ALA A 92 5.589 0.963 -5.562 1.00 0.00 C ATOM 0 H ALA A 92 4.473 1.308 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 92 6.405 -0.591 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.446 0.981 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.812 0.323 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.200 1.974 -5.442 1.00 0.00 H new ATOM 1418 N ALA A 93 8.365 0.928 -3.965 1.00 0.00 N ATOM 1419 CA ALA A 93 9.526 1.632 -3.448 1.00 0.00 C ATOM 1420 C ALA A 93 9.897 2.766 -4.406 1.00 0.00 C ATOM 1421 O ALA A 93 9.395 2.826 -5.527 1.00 0.00 O ATOM 1422 CB ALA A 93 10.675 0.642 -3.244 1.00 0.00 C ATOM 0 H ALA A 93 8.577 0.192 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 93 9.304 2.078 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.546 1.170 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.371 -0.127 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.928 0.176 -4.197 1.00 0.00 H new ATOM 1428 N MET A 94 10.774 3.638 -3.929 1.00 0.00 N ATOM 1429 CA MET A 94 11.218 4.767 -4.729 1.00 0.00 C ATOM 1430 C MET A 94 12.714 5.022 -4.533 1.00 0.00 C ATOM 1431 O MET A 94 13.197 5.068 -3.403 1.00 0.00 O ATOM 1432 CB MET A 94 10.430 6.016 -4.331 1.00 0.00 C ATOM 1433 CG MET A 94 8.925 5.789 -4.488 1.00 0.00 C ATOM 1434 SD MET A 94 8.023 7.149 -3.765 1.00 0.00 S ATOM 1435 CE MET A 94 7.466 7.973 -5.247 1.00 0.00 C ATOM 0 H MET A 94 11.189 3.585 -2.999 1.00 0.00 H new ATOM 0 HA MET A 94 11.042 4.536 -5.780 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.656 6.279 -3.297 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.741 6.858 -4.949 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.672 5.694 -5.544 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.638 4.854 -4.006 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.086 8.962 -4.992 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.299 8.072 -5.943 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.672 7.388 -5.712 1.00 0.00 H new ATOM 1445 N THR A 95 13.406 5.183 -5.652 1.00 0.00 N ATOM 1446 CA THR A 95 14.837 5.433 -5.617 1.00 0.00 C ATOM 1447 C THR A 95 15.167 6.741 -6.339 1.00 0.00 C ATOM 1448 O THR A 95 14.272 7.526 -6.650 1.00 0.00 O ATOM 1449 CB THR A 95 15.544 4.214 -6.214 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.722 3.842 -7.317 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.497 2.998 -5.287 1.00 0.00 C ATOM 0 H THR A 95 13.002 5.145 -6.588 1.00 0.00 H new ATOM 0 HA THR A 95 15.191 5.564 -4.595 1.00 0.00 H new ATOM 0 HB THR A 95 16.582 4.466 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.288 3.580 -8.073 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.013 2.161 -5.758 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.986 3.241 -4.343 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.459 2.725 -5.098 1.00 0.00 H new ATOM 1459 N SER A 96 16.454 6.935 -6.585 1.00 0.00 N ATOM 1460 CA SER A 96 16.914 8.134 -7.264 1.00 0.00 C ATOM 1461 C SER A 96 16.442 8.125 -8.720 1.00 0.00 C ATOM 1462 O SER A 96 16.530 9.138 -9.411 1.00 0.00 O ATOM 1463 CB SER A 96 18.438 8.253 -7.202 1.00 0.00 C ATOM 1464 OG SER A 96 18.915 8.298 -5.860 1.00 0.00 O ATOM 0 H SER A 96 17.193 6.282 -6.326 1.00 0.00 H new ATOM 0 HA SER A 96 16.488 8.999 -6.755 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.889 7.406 -7.719 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.753 9.153 -7.729 1.00 0.00 H new ATOM 0 HG SER A 96 19.892 8.372 -5.862 1.00 0.00 H new ATOM 1470 N LYS A 97 15.951 6.969 -9.142 1.00 0.00 N ATOM 1471 CA LYS A 97 15.464 6.814 -10.502 1.00 0.00 C ATOM 1472 C LYS A 97 13.979 7.178 -10.553 1.00 0.00 C ATOM 1473 O LYS A 97 13.567 8.008 -11.362 1.00 0.00 O ATOM 1474 CB LYS A 97 15.771 5.409 -11.024 1.00 0.00 C ATOM 1475 CG LYS A 97 17.170 5.347 -11.643 1.00 0.00 C ATOM 1476 CD LYS A 97 17.092 5.291 -13.170 1.00 0.00 C ATOM 1477 CE LYS A 97 16.952 6.694 -13.763 1.00 0.00 C ATOM 1478 NZ LYS A 97 18.215 7.109 -14.416 1.00 0.00 N ATOM 0 H LYS A 97 15.880 6.130 -8.566 1.00 0.00 H new ATOM 0 HA LYS A 97 15.983 7.499 -11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.698 4.690 -10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.027 5.123 -11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.746 6.220 -11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.698 4.470 -11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.988 4.812 -13.566 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.243 4.678 -13.472 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.139 6.709 -14.488 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.692 7.403 -12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.103 8.064 -14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.983 7.114 -13.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.447 6.441 -15.179 1.00 0.00 H new ATOM 1492 N GLY A 98 13.216 6.539 -9.678 1.00 0.00 N ATOM 1493 CA GLY A 98 11.786 6.786 -9.613 1.00 0.00 C ATOM 1494 C GLY A 98 11.097 5.779 -8.689 1.00 0.00 C ATOM 1495 O GLY A 98 11.294 5.810 -7.475 1.00 0.00 O ATOM 0 H GLY A 98 13.561 5.851 -9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.604 7.799 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.356 6.721 -10.613 1.00 0.00 H new ATOM 1499 N GLN A 99 10.305 4.910 -9.299 1.00 0.00 N ATOM 1500 CA GLN A 99 9.587 3.895 -8.546 1.00 0.00 C ATOM 1501 C GLN A 99 9.793 2.518 -9.180 1.00 0.00 C ATOM 1502 O GLN A 99 9.812 2.391 -10.404 1.00 0.00 O ATOM 1503 CB GLN A 99 8.098 4.237 -8.448 1.00 0.00 C ATOM 1504 CG GLN A 99 7.330 3.134 -7.717 1.00 0.00 C ATOM 1505 CD GLN A 99 6.223 2.558 -8.603 1.00 0.00 C ATOM 1506 OE1 GLN A 99 5.036 2.486 -8.007 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 6.433 2.202 -9.750 1.00 0.00 N flip ATOM 0 H GLN A 99 10.144 4.887 -10.306 1.00 0.00 H new ATOM 0 HA GLN A 99 9.988 3.870 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.972 5.183 -7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.685 4.371 -9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.017 2.340 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.896 3.534 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.369 2.285 -10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.673 1.821 -10.313 1.00 0.00 H new ATOM 1516 N GLY A 100 9.941 1.522 -8.320 1.00 0.00 N ATOM 1517 CA GLY A 100 10.145 0.159 -8.780 1.00 0.00 C ATOM 1518 C GLY A 100 8.864 -0.665 -8.637 1.00 0.00 C ATOM 1519 O GLY A 100 7.770 -0.109 -8.545 1.00 0.00 O ATOM 0 H GLY A 100 9.924 1.632 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.462 0.167 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.947 -0.306 -8.207 1.00 0.00 H new ATOM 1523 N GLN A 101 9.042 -1.978 -8.623 1.00 0.00 N ATOM 1524 CA GLN A 101 7.914 -2.885 -8.492 1.00 0.00 C ATOM 1525 C GLN A 101 6.966 -2.398 -7.395 1.00 0.00 C ATOM 1526 O GLN A 101 7.308 -1.500 -6.627 1.00 0.00 O ATOM 1527 CB GLN A 101 8.388 -4.313 -8.214 1.00 0.00 C ATOM 1528 CG GLN A 101 7.589 -5.326 -9.037 1.00 0.00 C ATOM 1529 CD GLN A 101 8.519 -6.330 -9.722 1.00 0.00 C ATOM 1530 OE1 GLN A 101 8.663 -7.467 -9.304 1.00 0.00 O ATOM 1531 NE2 GLN A 101 9.139 -5.847 -10.795 1.00 0.00 N ATOM 0 H GLN A 101 9.950 -2.435 -8.700 1.00 0.00 H new ATOM 0 HA GLN A 101 7.370 -2.896 -9.436 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.448 -4.401 -8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.280 -4.536 -7.152 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.890 -5.855 -8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.996 -4.803 -9.787 1.00 0.00 H new ATOM 0 HE21 GLN A 101 8.973 -4.885 -11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.781 -6.439 -11.323 1.00 0.00 H new ATOM 1540 N VAL A 102 5.792 -3.012 -7.355 1.00 0.00 N ATOM 1541 CA VAL A 102 4.792 -2.653 -6.364 1.00 0.00 C ATOM 1542 C VAL A 102 4.211 -3.926 -5.747 1.00 0.00 C ATOM 1543 O VAL A 102 3.942 -4.896 -6.454 1.00 0.00 O ATOM 1544 CB VAL A 102 3.727 -1.756 -6.998 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.540 -2.582 -7.497 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.268 -0.673 -6.018 1.00 0.00 C ATOM 0 H VAL A 102 5.511 -3.756 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 102 5.244 -2.078 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 102 4.176 -1.261 -7.859 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.798 -1.920 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.883 -3.298 -8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.092 -3.118 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.511 -0.049 -6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.846 -1.142 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.120 -0.056 -5.733 1.00 0.00 H new ATOM 1556 N SER A 103 4.035 -3.882 -4.435 1.00 0.00 N ATOM 1557 CA SER A 103 3.491 -5.021 -3.714 1.00 0.00 C ATOM 1558 C SER A 103 2.006 -4.794 -3.422 1.00 0.00 C ATOM 1559 O SER A 103 1.656 -4.029 -2.525 1.00 0.00 O ATOM 1560 CB SER A 103 4.256 -5.265 -2.412 1.00 0.00 C ATOM 1561 OG SER A 103 5.296 -6.226 -2.577 1.00 0.00 O ATOM 0 H SER A 103 4.259 -3.076 -3.852 1.00 0.00 H new ATOM 0 HA SER A 103 3.601 -5.907 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.683 -4.326 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.564 -5.608 -1.643 1.00 0.00 H new ATOM 0 HG SER A 103 5.762 -6.353 -1.724 1.00 0.00 H new ATOM 1567 N ALA A 104 1.173 -5.473 -4.197 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.266 -5.355 -4.033 1.00 0.00 C ATOM 1569 C ALA A 104 -0.802 -6.617 -3.355 1.00 0.00 C ATOM 1570 O ALA A 104 -0.694 -7.714 -3.901 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.916 -5.104 -5.395 1.00 0.00 C ATOM 0 H ALA A 104 1.467 -6.107 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.512 -4.507 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.995 -5.015 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.522 -4.181 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.694 -5.936 -6.063 1.00 0.00 H new ATOM 1577 N SER A 105 -1.369 -6.420 -2.173 1.00 0.00 N ATOM 1578 CA SER A 105 -1.922 -7.529 -1.415 1.00 0.00 C ATOM 1579 C SER A 105 -3.407 -7.284 -1.138 1.00 0.00 C ATOM 1580 O SER A 105 -3.797 -6.183 -0.754 1.00 0.00 O ATOM 1581 CB SER A 105 -1.164 -7.730 -0.101 1.00 0.00 C ATOM 1582 OG SER A 105 -0.549 -9.013 -0.031 1.00 0.00 O ATOM 0 H SER A 105 -1.457 -5.509 -1.722 1.00 0.00 H new ATOM 0 HA SER A 105 -1.814 -8.437 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.402 -6.957 0.000 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.852 -7.611 0.736 1.00 0.00 H new ATOM 0 HG SER A 105 -0.074 -9.102 0.821 1.00 0.00 H new ATOM 1588 N THR A 106 -4.195 -8.329 -1.345 1.00 0.00 N ATOM 1589 CA THR A 106 -5.628 -8.242 -1.123 1.00 0.00 C ATOM 1590 C THR A 106 -5.942 -8.327 0.372 1.00 0.00 C ATOM 1591 O THR A 106 -5.379 -9.159 1.082 1.00 0.00 O ATOM 1592 CB THR A 106 -6.302 -9.339 -1.949 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.492 -9.441 -3.117 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.672 -8.913 -2.481 1.00 0.00 C ATOM 0 H THR A 106 -3.868 -9.241 -1.664 1.00 0.00 H new ATOM 0 HA THR A 106 -6.022 -7.280 -1.452 1.00 0.00 H new ATOM 0 HB THR A 106 -6.412 -10.236 -1.340 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.857 -10.132 -3.709 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.107 -9.728 -3.060 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.328 -8.672 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.558 -8.036 -3.118 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.840 -7.456 0.806 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.236 -7.422 2.204 1.00 0.00 C ATOM 1604 C ILE A 107 -8.701 -6.991 2.305 1.00 0.00 C ATOM 1605 O ILE A 107 -9.104 -6.004 1.691 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.279 -6.543 3.011 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.821 -6.292 4.420 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -5.979 -5.237 2.272 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.607 -7.514 5.315 1.00 0.00 C ATOM 0 H ILE A 107 -7.305 -6.768 0.214 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.165 -8.417 2.644 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.335 -7.077 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.323 -5.426 4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.884 -6.056 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.296 -4.631 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.520 -5.461 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.907 -4.688 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.001 -7.309 6.311 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.126 -8.373 4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.541 -7.732 5.384 1.00 0.00 H new ATOM 1621 N SER A 108 -9.456 -7.751 3.083 1.00 0.00 N ATOM 1622 CA SER A 108 -10.867 -7.460 3.272 1.00 0.00 C ATOM 1623 C SER A 108 -11.076 -6.721 4.595 1.00 0.00 C ATOM 1624 O SER A 108 -10.736 -7.236 5.659 1.00 0.00 O ATOM 1625 CB SER A 108 -11.703 -8.741 3.241 1.00 0.00 C ATOM 1626 OG SER A 108 -13.020 -8.531 3.743 1.00 0.00 O ATOM 0 H SER A 108 -9.118 -8.569 3.590 1.00 0.00 H new ATOM 0 HA SER A 108 -11.198 -6.823 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.760 -9.112 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.208 -9.511 3.832 1.00 0.00 H new ATOM 0 HG SER A 108 -13.522 -9.372 3.705 1.00 0.00 H new ATOM 1632 N SER A 109 -11.635 -5.524 4.486 1.00 0.00 N ATOM 1633 CA SER A 109 -11.894 -4.709 5.661 1.00 0.00 C ATOM 1634 C SER A 109 -12.364 -5.593 6.818 1.00 0.00 C ATOM 1635 O SER A 109 -12.923 -6.666 6.596 1.00 0.00 O ATOM 1636 CB SER A 109 -12.934 -3.628 5.363 1.00 0.00 C ATOM 1637 OG SER A 109 -14.107 -4.167 4.759 1.00 0.00 O ATOM 0 H SER A 109 -11.916 -5.099 3.602 1.00 0.00 H new ATOM 0 HA SER A 109 -10.966 -4.213 5.945 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.204 -3.120 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.498 -2.878 4.703 1.00 0.00 H new ATOM 0 HG SER A 109 -14.485 -3.512 4.136 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.120 -5.109 8.027 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.512 -5.842 9.219 1.00 0.00 C ATOM 1645 C GLY A 110 -14.034 -5.954 9.318 1.00 0.00 C ATOM 1646 O GLY A 110 -14.634 -6.853 8.730 1.00 0.00 O ATOM 0 H GLY A 110 -11.656 -4.219 8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.071 -6.839 9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.122 -5.339 10.104 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.616 -5.029 10.067 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.058 -5.013 10.251 1.00 0.00 C ATOM 1652 C VAL A 111 -16.454 -3.756 11.029 1.00 0.00 C ATOM 1653 O VAL A 111 -15.748 -3.341 11.946 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.513 -6.305 10.931 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.832 -6.479 12.291 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.036 -6.344 11.072 1.00 0.00 C ATOM 0 H VAL A 111 -14.116 -4.285 10.554 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.566 -4.973 9.287 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.214 -7.140 10.297 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.173 -7.405 12.753 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.751 -6.518 12.154 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.086 -5.637 12.935 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.333 -7.273 11.559 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.368 -5.498 11.673 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.494 -6.289 10.085 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.612 -3.170 10.622 1.00 0.00 N ATOM 1667 CA PRO A 112 -18.111 -1.969 11.270 1.00 0.00 C ATOM 1668 C PRO A 112 -18.715 -2.295 12.638 1.00 0.00 C ATOM 1669 O PRO A 112 -19.578 -3.165 12.748 1.00 0.00 O ATOM 1670 CB PRO A 112 -19.123 -1.388 10.297 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.495 -2.523 9.355 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.474 -3.634 9.539 1.00 0.00 C ATOM 0 HA PRO A 112 -17.323 -1.247 11.482 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -20.001 -1.014 10.824 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.699 -0.548 9.748 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.499 -2.887 9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.500 -2.176 8.322 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.957 -4.577 9.794 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.905 -3.804 8.625 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.225 -1.561 13.672 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.708 -1.763 15.028 1.00 0.00 C ATOM 1682 C PRO A 113 -20.100 -1.155 15.211 1.00 0.00 C ATOM 1683 O PRO A 113 -20.841 -1.551 16.109 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.658 -1.120 15.919 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.868 -0.181 15.022 1.00 0.00 C ATOM 1686 CD PRO A 113 -17.203 -0.522 13.579 1.00 0.00 C ATOM 0 HA PRO A 113 -18.832 -2.817 15.277 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -18.123 -0.576 16.741 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.008 -1.874 16.364 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.122 0.857 15.238 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.799 -0.291 15.202 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.573 0.351 13.041 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.324 -0.878 13.042 1.00 0.00 H new