USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 648 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 42 LYS NZ :NH3+ -126:sc= 0.386 (180deg=0) USER MOD Set 1.2: A 70 GLN : amide:sc= 1.5 K(o=1.9,f=-5.7!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0355 K(o=-0.036,f=-0.6) USER MOD Single : A 26 ASN : amide:sc= -2.04 K(o=-2,f=-0.82) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 153:sc= -3.49! (180deg=-6.33!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.00125 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -132:sc= 1.02 USER MOD Single : A 56 MET CE :methyl -160:sc= -0.341 (180deg=-1.41) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.89 K(o=-1.9,f=-0.42) USER MOD Single : A 68 GLN : amide:sc= -6.22! C(o=-6.2!,f=-3!) USER MOD Single : A 74 HIS : no HD1:sc= -0.08 X(o=-0.08,f=0.013) USER MOD Single : A 76 THR OG1 : rot -84:sc= 0.352 USER MOD Single : A 79 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.9!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -144:sc= -6! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 77:sc= 0.484 USER MOD Single : A 97 THR OG1 : rot 17:sc= -0.44 USER MOD ----------------------------------------------------------------- ATOM 190 N PRO A 15 -2.357 16.139 -7.982 1.00 0.00 N ATOM 191 CA PRO A 15 -3.497 15.395 -7.472 1.00 0.00 C ATOM 192 C PRO A 15 -3.834 14.215 -8.386 1.00 0.00 C ATOM 193 O PRO A 15 -3.894 14.367 -9.605 1.00 0.00 O ATOM 194 CB PRO A 15 -4.621 16.414 -7.378 1.00 0.00 C ATOM 195 CG PRO A 15 -4.209 17.574 -8.270 1.00 0.00 C ATOM 196 CD PRO A 15 -2.734 17.409 -8.596 1.00 0.00 C ATOM 0 HA PRO A 15 -3.304 14.944 -6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.566 15.984 -7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.764 16.744 -6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.803 17.583 -9.184 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.385 18.524 -7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.566 17.393 -9.673 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.145 18.233 -8.194 1.00 0.00 H new ATOM 204 N VAL A 16 -4.045 13.066 -7.761 1.00 0.00 N ATOM 205 CA VAL A 16 -4.375 11.861 -8.503 1.00 0.00 C ATOM 206 C VAL A 16 -5.370 12.206 -9.613 1.00 0.00 C ATOM 207 O VAL A 16 -6.122 13.173 -9.499 1.00 0.00 O ATOM 208 CB VAL A 16 -4.895 10.785 -7.548 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.750 10.167 -6.742 1.00 0.00 C ATOM 210 CG2 VAL A 16 -5.975 11.348 -6.623 1.00 0.00 C ATOM 0 H VAL A 16 -3.994 12.944 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.485 11.451 -8.981 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.347 9.995 -8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.147 9.405 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.030 9.712 -7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.256 10.943 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.327 10.562 -5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.560 12.166 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.809 11.717 -7.220 1.00 0.00 H new ATOM 220 N THR A 17 -5.341 11.397 -10.662 1.00 0.00 N ATOM 221 CA THR A 17 -6.231 11.605 -11.792 1.00 0.00 C ATOM 222 C THR A 17 -6.934 10.299 -12.165 1.00 0.00 C ATOM 223 O THR A 17 -6.556 9.229 -11.690 1.00 0.00 O ATOM 224 CB THR A 17 -5.410 12.202 -12.937 1.00 0.00 C ATOM 225 OG1 THR A 17 -4.559 11.135 -13.347 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.442 13.287 -12.460 1.00 0.00 C ATOM 0 H THR A 17 -4.715 10.597 -10.753 1.00 0.00 H new ATOM 0 HA THR A 17 -7.028 12.306 -11.544 1.00 0.00 H new ATOM 0 HB THR A 17 -6.083 12.619 -13.686 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.992 11.435 -14.088 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.884 13.677 -13.311 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.004 14.096 -11.993 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.747 12.862 -11.735 1.00 0.00 H new ATOM 234 N GLY A 18 -7.945 10.429 -13.011 1.00 0.00 N ATOM 235 CA GLY A 18 -8.704 9.271 -13.453 1.00 0.00 C ATOM 236 C GLY A 18 -7.779 8.088 -13.745 1.00 0.00 C ATOM 237 O GLY A 18 -8.169 6.934 -13.575 1.00 0.00 O ATOM 0 H GLY A 18 -8.256 11.318 -13.402 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.427 8.991 -12.687 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.271 9.524 -14.349 1.00 0.00 H new ATOM 241 N GLU A 19 -6.571 8.415 -14.180 1.00 0.00 N ATOM 242 CA GLU A 19 -5.588 7.393 -14.497 1.00 0.00 C ATOM 243 C GLU A 19 -5.148 6.667 -13.224 1.00 0.00 C ATOM 244 O GLU A 19 -5.086 5.439 -13.195 1.00 0.00 O ATOM 245 CB GLU A 19 -4.386 7.996 -15.227 1.00 0.00 C ATOM 246 CG GLU A 19 -3.756 6.978 -16.179 1.00 0.00 C ATOM 247 CD GLU A 19 -3.706 7.521 -17.609 1.00 0.00 C ATOM 248 OE1 GLU A 19 -2.733 8.247 -17.906 1.00 0.00 O ATOM 249 OE2 GLU A 19 -4.642 7.197 -18.371 1.00 0.00 O ATOM 0 H GLU A 19 -6.251 9.373 -14.320 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.050 6.667 -15.165 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.700 8.877 -15.787 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.644 8.328 -14.501 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.748 6.736 -15.843 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.330 6.052 -16.158 1.00 0.00 H new ATOM 256 N GLN A 20 -4.853 7.457 -12.202 1.00 0.00 N ATOM 257 CA GLN A 20 -4.420 6.905 -10.929 1.00 0.00 C ATOM 258 C GLN A 20 -5.617 6.342 -10.161 1.00 0.00 C ATOM 259 O GLN A 20 -5.568 5.216 -9.666 1.00 0.00 O ATOM 260 CB GLN A 20 -3.681 7.956 -10.099 1.00 0.00 C ATOM 261 CG GLN A 20 -2.322 8.288 -10.718 1.00 0.00 C ATOM 262 CD GLN A 20 -1.369 8.867 -9.671 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.214 8.346 -8.579 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.741 9.972 -10.064 1.00 0.00 N ATOM 0 H GLN A 20 -4.905 8.475 -12.229 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.723 6.090 -11.126 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.285 8.861 -10.031 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.541 7.589 -9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.887 7.388 -11.153 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.453 9.003 -11.530 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.917 10.356 -10.993 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.084 10.435 -9.437 1.00 0.00 H new ATOM 273 N ILE A 21 -6.665 7.150 -10.085 1.00 0.00 N ATOM 274 CA ILE A 21 -7.872 6.746 -9.385 1.00 0.00 C ATOM 275 C ILE A 21 -8.177 5.281 -9.706 1.00 0.00 C ATOM 276 O ILE A 21 -8.031 4.411 -8.849 1.00 0.00 O ATOM 277 CB ILE A 21 -9.024 7.699 -9.710 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.810 9.063 -9.051 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.371 7.082 -9.326 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.131 9.824 -8.923 1.00 0.00 C ATOM 0 H ILE A 21 -6.703 8.082 -10.497 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.727 6.813 -8.307 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.039 7.861 -10.788 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.367 8.928 -8.064 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.104 9.649 -9.640 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.173 7.780 -9.567 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.518 6.155 -9.880 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.383 6.871 -8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.950 10.790 -8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.560 9.978 -9.913 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.826 9.247 -8.313 1.00 0.00 H new ATOM 292 N GLU A 22 -8.594 5.054 -10.943 1.00 0.00 N ATOM 293 CA GLU A 22 -8.920 3.710 -11.387 1.00 0.00 C ATOM 294 C GLU A 22 -7.929 2.702 -10.803 1.00 0.00 C ATOM 295 O GLU A 22 -8.329 1.663 -10.281 1.00 0.00 O ATOM 296 CB GLU A 22 -8.947 3.629 -12.915 1.00 0.00 C ATOM 297 CG GLU A 22 -7.649 4.170 -13.516 1.00 0.00 C ATOM 298 CD GLU A 22 -6.689 3.030 -13.865 1.00 0.00 C ATOM 299 OE1 GLU A 22 -6.778 1.986 -13.184 1.00 0.00 O ATOM 300 OE2 GLU A 22 -5.889 3.229 -14.804 1.00 0.00 O ATOM 0 H GLU A 22 -8.713 5.778 -11.651 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.917 3.461 -11.024 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.092 2.594 -13.225 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.794 4.198 -13.298 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.873 4.749 -14.412 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.172 4.848 -12.809 1.00 0.00 H new ATOM 307 N VAL A 23 -6.653 3.044 -10.910 1.00 0.00 N ATOM 308 CA VAL A 23 -5.601 2.182 -10.398 1.00 0.00 C ATOM 309 C VAL A 23 -5.758 2.038 -8.883 1.00 0.00 C ATOM 310 O VAL A 23 -5.887 0.927 -8.372 1.00 0.00 O ATOM 311 CB VAL A 23 -4.232 2.728 -10.809 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.144 2.267 -9.836 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.890 2.326 -12.245 1.00 0.00 C ATOM 0 H VAL A 23 -6.324 3.907 -11.344 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.681 1.184 -10.829 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.279 3.816 -10.768 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.181 2.669 -10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.377 2.626 -8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.099 1.178 -9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.912 2.727 -12.512 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.870 1.239 -12.324 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.643 2.725 -12.924 1.00 0.00 H new ATOM 323 N PHE A 24 -5.741 3.178 -8.208 1.00 0.00 N ATOM 324 CA PHE A 24 -5.879 3.192 -6.761 1.00 0.00 C ATOM 325 C PHE A 24 -7.078 2.351 -6.317 1.00 0.00 C ATOM 326 O PHE A 24 -6.940 1.463 -5.477 1.00 0.00 O ATOM 327 CB PHE A 24 -6.111 4.647 -6.349 1.00 0.00 C ATOM 328 CG PHE A 24 -5.245 5.106 -5.175 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.587 4.767 -3.903 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.132 5.855 -5.402 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.783 5.193 -2.813 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.328 6.282 -4.313 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.670 5.942 -3.041 1.00 0.00 C ATOM 0 H PHE A 24 -5.634 4.098 -8.636 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.985 2.775 -6.297 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -5.916 5.292 -7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.161 4.776 -6.085 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.471 4.173 -3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.860 6.125 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.055 4.923 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.445 6.877 -4.494 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.058 6.266 -2.212 1.00 0.00 H new ATOM 343 N ALA A 25 -8.226 2.660 -6.901 1.00 0.00 N ATOM 344 CA ALA A 25 -9.448 1.944 -6.575 1.00 0.00 C ATOM 345 C ALA A 25 -9.132 0.456 -6.409 1.00 0.00 C ATOM 346 O ALA A 25 -9.244 -0.087 -5.311 1.00 0.00 O ATOM 347 CB ALA A 25 -10.495 2.200 -7.661 1.00 0.00 C ATOM 0 H ALA A 25 -8.336 3.396 -7.598 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.863 2.301 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.412 1.663 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.705 3.268 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.116 1.852 -8.622 1.00 0.00 H new ATOM 353 N ASN A 26 -8.745 -0.161 -7.516 1.00 0.00 N ATOM 354 CA ASN A 26 -8.413 -1.576 -7.506 1.00 0.00 C ATOM 355 C ASN A 26 -7.599 -1.896 -6.251 1.00 0.00 C ATOM 356 O ASN A 26 -7.920 -2.831 -5.520 1.00 0.00 O ATOM 357 CB ASN A 26 -7.568 -1.951 -8.726 1.00 0.00 C ATOM 358 CG ASN A 26 -8.271 -1.550 -10.024 1.00 0.00 C ATOM 359 OD1 ASN A 26 -9.391 -1.946 -10.302 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.553 -0.743 -10.801 1.00 0.00 N ATOM 0 H ASN A 26 -8.654 0.292 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.345 -2.141 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.598 -1.458 -8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.380 -3.025 -8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.934 -0.418 -11.689 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.621 -0.449 -10.508 1.00 0.00 H new ATOM 367 N LYS A 27 -6.560 -1.101 -6.040 1.00 0.00 N ATOM 368 CA LYS A 27 -5.697 -1.288 -4.885 1.00 0.00 C ATOM 369 C LYS A 27 -6.540 -1.228 -3.610 1.00 0.00 C ATOM 370 O LYS A 27 -6.406 -2.081 -2.733 1.00 0.00 O ATOM 371 CB LYS A 27 -4.545 -0.282 -4.909 1.00 0.00 C ATOM 372 CG LYS A 27 -3.745 -0.395 -6.209 1.00 0.00 C ATOM 373 CD LYS A 27 -2.961 0.890 -6.483 1.00 0.00 C ATOM 374 CE LYS A 27 -1.454 0.632 -6.439 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.941 0.320 -7.792 1.00 0.00 N ATOM 0 H LYS A 27 -6.296 -0.326 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.230 -2.273 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.938 0.729 -4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.888 -0.456 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.057 -1.238 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.421 -0.597 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.237 1.288 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.226 1.646 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.941 1.508 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.241 -0.196 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.083 0.148 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.418 -0.529 -8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.127 1.122 -8.427 1.00 0.00 H new ATOM 389 N LEU A 28 -7.389 -0.213 -3.546 1.00 0.00 N ATOM 390 CA LEU A 28 -8.253 -0.031 -2.392 1.00 0.00 C ATOM 391 C LEU A 28 -9.034 -1.321 -2.137 1.00 0.00 C ATOM 392 O LEU A 28 -8.838 -1.979 -1.116 1.00 0.00 O ATOM 393 CB LEU A 28 -9.142 1.200 -2.578 1.00 0.00 C ATOM 394 CG LEU A 28 -9.772 1.770 -1.305 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.763 1.791 -0.155 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.374 3.153 -1.564 1.00 0.00 C ATOM 0 H LEU A 28 -7.497 0.492 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.660 0.165 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.549 1.984 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.942 0.944 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.589 1.113 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.237 2.201 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.422 0.776 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.910 2.412 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.815 3.536 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.592 3.833 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.144 3.077 -2.331 1.00 0.00 H new ATOM 408 N GLY A 29 -9.904 -1.645 -3.083 1.00 0.00 N ATOM 409 CA GLY A 29 -10.716 -2.845 -2.973 1.00 0.00 C ATOM 410 C GLY A 29 -11.918 -2.612 -2.056 1.00 0.00 C ATOM 411 O GLY A 29 -12.827 -1.856 -2.397 1.00 0.00 O ATOM 0 H GLY A 29 -10.064 -1.098 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.062 -3.146 -3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.111 -3.664 -2.584 1.00 0.00 H new ATOM 415 N GLU A 30 -11.885 -3.275 -0.909 1.00 0.00 N ATOM 416 CA GLU A 30 -12.960 -3.149 0.060 1.00 0.00 C ATOM 417 C GLU A 30 -12.516 -2.274 1.234 1.00 0.00 C ATOM 418 O GLU A 30 -13.280 -2.057 2.174 1.00 0.00 O ATOM 419 CB GLU A 30 -13.424 -4.524 0.546 1.00 0.00 C ATOM 420 CG GLU A 30 -12.353 -5.190 1.411 1.00 0.00 C ATOM 421 CD GLU A 30 -12.976 -5.853 2.641 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.105 -5.145 3.663 1.00 0.00 O ATOM 423 OE2 GLU A 30 -13.309 -7.053 2.531 1.00 0.00 O ATOM 0 H GLU A 30 -11.130 -3.901 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.808 -2.667 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.346 -4.419 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.651 -5.159 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.818 -5.936 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.621 -4.447 1.726 1.00 0.00 H new ATOM 430 N GLN A 31 -11.284 -1.795 1.142 1.00 0.00 N ATOM 431 CA GLN A 31 -10.730 -0.949 2.185 1.00 0.00 C ATOM 432 C GLN A 31 -11.164 0.504 1.976 1.00 0.00 C ATOM 433 O GLN A 31 -10.709 1.399 2.686 1.00 0.00 O ATOM 434 CB GLN A 31 -9.206 -1.065 2.233 1.00 0.00 C ATOM 435 CG GLN A 31 -8.772 -2.226 3.130 1.00 0.00 C ATOM 436 CD GLN A 31 -8.059 -3.309 2.317 1.00 0.00 C ATOM 437 OE1 GLN A 31 -6.906 -3.179 1.939 1.00 0.00 O ATOM 438 NE2 GLN A 31 -8.806 -4.381 2.072 1.00 0.00 N ATOM 0 H GLN A 31 -10.654 -1.977 0.361 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.117 -1.289 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.817 -1.214 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.778 -0.134 2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.109 -1.858 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.644 -2.653 3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.764 -4.425 2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.421 -5.160 1.538 1.00 0.00 H new ATOM 447 N TRP A 32 -12.038 0.692 0.998 1.00 0.00 N ATOM 448 CA TRP A 32 -12.538 2.020 0.687 1.00 0.00 C ATOM 449 C TRP A 32 -13.375 2.501 1.873 1.00 0.00 C ATOM 450 O TRP A 32 -13.584 3.701 2.045 1.00 0.00 O ATOM 451 CB TRP A 32 -13.315 2.018 -0.632 1.00 0.00 C ATOM 452 CG TRP A 32 -14.667 1.307 -0.556 1.00 0.00 C ATOM 453 CD1 TRP A 32 -14.943 0.026 -0.837 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.925 1.893 -0.159 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.281 -0.255 -0.652 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.897 0.916 -0.227 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.232 3.205 0.243 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.240 1.147 0.093 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.578 3.420 0.559 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.569 2.447 0.497 1.00 0.00 C ATOM 0 H TRP A 32 -12.412 -0.053 0.411 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.713 2.717 0.538 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.475 3.048 -0.949 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.707 1.539 -1.399 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.210 -0.696 -1.167 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.735 -1.156 -0.800 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.488 3.985 0.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.982 0.365 0.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.867 4.412 0.873 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.588 2.692 0.759 1.00 0.00 H new ATOM 471 N LYS A 33 -13.832 1.539 2.662 1.00 0.00 N ATOM 472 CA LYS A 33 -14.642 1.849 3.828 1.00 0.00 C ATOM 473 C LYS A 33 -13.725 2.173 5.009 1.00 0.00 C ATOM 474 O LYS A 33 -14.177 2.698 6.026 1.00 0.00 O ATOM 475 CB LYS A 33 -15.630 0.716 4.110 1.00 0.00 C ATOM 476 CG LYS A 33 -17.002 1.270 4.503 1.00 0.00 C ATOM 477 CD LYS A 33 -17.947 0.144 4.927 1.00 0.00 C ATOM 478 CE LYS A 33 -18.999 0.655 5.913 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.218 -0.182 5.849 1.00 0.00 N ATOM 0 H LYS A 33 -13.657 0.545 2.517 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.251 2.734 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.728 0.086 3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.246 0.084 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.890 1.983 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.433 1.814 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.439 -0.273 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.375 -0.663 5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.594 0.642 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.249 1.691 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.922 0.178 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.612 -0.149 4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.978 -1.165 6.091 1.00 0.00 H new ATOM 493 N ILE A 34 -12.452 1.847 4.836 1.00 0.00 N ATOM 494 CA ILE A 34 -11.468 2.097 5.875 1.00 0.00 C ATOM 495 C ILE A 34 -10.817 3.461 5.638 1.00 0.00 C ATOM 496 O ILE A 34 -10.275 4.064 6.563 1.00 0.00 O ATOM 497 CB ILE A 34 -10.466 0.943 5.953 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.186 -0.398 6.108 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.444 1.178 7.068 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.188 -1.559 6.109 1.00 0.00 C ATOM 0 H ILE A 34 -12.080 1.412 3.992 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.949 2.138 6.852 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.914 0.905 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.757 -0.403 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.900 -0.528 5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.744 0.343 7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.899 2.101 6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.961 1.257 8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.725 -2.501 6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.636 -1.565 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.491 -1.439 6.938 1.00 0.00 H new ATOM 512 N LEU A 35 -10.892 3.908 4.393 1.00 0.00 N ATOM 513 CA LEU A 35 -10.317 5.190 4.022 1.00 0.00 C ATOM 514 C LEU A 35 -11.415 6.255 4.017 1.00 0.00 C ATOM 515 O LEU A 35 -11.127 7.449 3.949 1.00 0.00 O ATOM 516 CB LEU A 35 -9.565 5.076 2.694 1.00 0.00 C ATOM 517 CG LEU A 35 -8.043 5.215 2.771 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.473 5.743 1.453 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.631 6.084 3.961 1.00 0.00 C ATOM 0 H LEU A 35 -11.342 3.405 3.628 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.574 5.501 4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.800 4.109 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.946 5.840 2.017 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.618 4.224 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.390 5.832 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.720 5.052 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.902 6.721 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.545 6.166 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.067 7.077 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.987 5.628 4.885 1.00 0.00 H new ATOM 531 N ALA A 36 -12.652 5.784 4.089 1.00 0.00 N ATOM 532 CA ALA A 36 -13.795 6.681 4.093 1.00 0.00 C ATOM 533 C ALA A 36 -13.751 7.550 5.352 1.00 0.00 C ATOM 534 O ALA A 36 -13.868 8.772 5.271 1.00 0.00 O ATOM 535 CB ALA A 36 -15.085 5.864 3.994 1.00 0.00 C ATOM 0 H ALA A 36 -12.887 4.793 4.145 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.763 7.347 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.943 6.537 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.080 5.287 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.153 5.186 4.845 1.00 0.00 H new ATOM 541 N PRO A 37 -13.576 6.869 6.515 1.00 0.00 N ATOM 542 CA PRO A 37 -13.515 7.566 7.789 1.00 0.00 C ATOM 543 C PRO A 37 -12.170 8.274 7.962 1.00 0.00 C ATOM 544 O PRO A 37 -11.927 8.912 8.985 1.00 0.00 O ATOM 545 CB PRO A 37 -13.760 6.492 8.837 1.00 0.00 C ATOM 546 CG PRO A 37 -13.488 5.166 8.147 1.00 0.00 C ATOM 547 CD PRO A 37 -13.434 5.422 6.650 1.00 0.00 C ATOM 0 HA PRO A 37 -14.257 8.360 7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.103 6.627 9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.784 6.536 9.209 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.547 4.740 8.496 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.271 4.445 8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.493 5.075 6.223 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.234 4.895 6.129 1.00 0.00 H new ATOM 555 N TYR A 38 -11.330 8.138 6.946 1.00 0.00 N ATOM 556 CA TYR A 38 -10.016 8.757 6.973 1.00 0.00 C ATOM 557 C TYR A 38 -9.841 9.723 5.799 1.00 0.00 C ATOM 558 O TYR A 38 -8.772 10.306 5.625 1.00 0.00 O ATOM 559 CB TYR A 38 -9.009 7.614 6.832 1.00 0.00 C ATOM 560 CG TYR A 38 -8.618 6.962 8.160 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.390 5.944 8.682 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.494 7.391 8.835 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.022 5.330 9.931 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.126 6.777 10.085 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.909 5.777 10.571 1.00 0.00 C ATOM 566 OH TYR A 38 -7.561 5.197 11.751 1.00 0.00 O ATOM 0 H TYR A 38 -11.534 7.608 6.099 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.878 9.325 7.893 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.429 6.852 6.175 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.110 7.993 6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.270 5.608 8.154 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.890 8.187 8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.617 4.532 10.350 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.249 7.103 10.624 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.744 5.617 12.093 1.00 0.00 H new ATOM 576 N LEU A 39 -10.907 9.862 5.025 1.00 0.00 N ATOM 577 CA LEU A 39 -10.884 10.748 3.873 1.00 0.00 C ATOM 578 C LEU A 39 -11.730 11.987 4.171 1.00 0.00 C ATOM 579 O LEU A 39 -11.765 12.925 3.376 1.00 0.00 O ATOM 580 CB LEU A 39 -11.317 9.997 2.612 1.00 0.00 C ATOM 581 CG LEU A 39 -10.187 9.457 1.732 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.133 8.736 2.574 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.738 8.566 0.617 1.00 0.00 C ATOM 0 H LEU A 39 -11.792 9.376 5.173 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.869 11.094 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.950 9.161 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.933 10.664 2.009 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.693 10.303 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.342 8.362 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.709 9.431 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.596 7.901 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.914 8.196 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.272 7.723 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.420 9.144 -0.007 1.00 0.00 H new ATOM 595 N GLU A 40 -12.392 11.951 5.318 1.00 0.00 N ATOM 596 CA GLU A 40 -13.236 13.060 5.731 1.00 0.00 C ATOM 597 C GLU A 40 -14.502 13.110 4.875 1.00 0.00 C ATOM 598 O GLU A 40 -14.873 14.169 4.370 1.00 0.00 O ATOM 599 CB GLU A 40 -12.473 14.384 5.661 1.00 0.00 C ATOM 600 CG GLU A 40 -11.108 14.268 6.343 1.00 0.00 C ATOM 601 CD GLU A 40 -10.442 15.639 6.474 1.00 0.00 C ATOM 602 OE1 GLU A 40 -10.972 16.454 7.259 1.00 0.00 O ATOM 603 OE2 GLU A 40 -9.418 15.841 5.786 1.00 0.00 O ATOM 0 H GLU A 40 -12.361 11.171 5.975 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.529 12.902 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.339 14.676 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.057 15.170 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.228 13.822 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.466 13.601 5.768 1.00 0.00 H new ATOM 610 N MET A 41 -15.132 11.953 4.737 1.00 0.00 N ATOM 611 CA MET A 41 -16.350 11.852 3.951 1.00 0.00 C ATOM 612 C MET A 41 -17.588 11.931 4.845 1.00 0.00 C ATOM 613 O MET A 41 -17.473 12.102 6.058 1.00 0.00 O ATOM 614 CB MET A 41 -16.355 10.527 3.186 1.00 0.00 C ATOM 615 CG MET A 41 -15.056 10.343 2.399 1.00 0.00 C ATOM 616 SD MET A 41 -14.818 11.717 1.285 1.00 0.00 S ATOM 617 CE MET A 41 -15.197 10.927 -0.269 1.00 0.00 C ATOM 0 H MET A 41 -14.822 11.077 5.157 1.00 0.00 H new ATOM 0 HA MET A 41 -16.378 12.686 3.250 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.481 9.700 3.885 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.205 10.500 2.504 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.212 10.270 3.085 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.091 9.410 1.837 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.564 11.671 -0.975 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.297 10.460 -0.669 1.00 0.00 H new ATOM 0 HE3 MET A 41 -15.962 10.166 -0.113 1.00 0.00 H new ATOM 627 N LYS A 42 -18.745 11.802 4.212 1.00 0.00 N ATOM 628 CA LYS A 42 -20.004 11.856 4.935 1.00 0.00 C ATOM 629 C LYS A 42 -20.559 10.439 5.092 1.00 0.00 C ATOM 630 O LYS A 42 -20.557 9.660 4.140 1.00 0.00 O ATOM 631 CB LYS A 42 -20.973 12.825 4.253 1.00 0.00 C ATOM 632 CG LYS A 42 -20.327 14.198 4.056 1.00 0.00 C ATOM 633 CD LYS A 42 -19.521 14.243 2.756 1.00 0.00 C ATOM 634 CE LYS A 42 -18.076 14.667 3.022 1.00 0.00 C ATOM 635 NZ LYS A 42 -18.002 16.122 3.284 1.00 0.00 N ATOM 0 H LYS A 42 -18.837 11.660 3.206 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.850 12.251 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.278 12.421 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.876 12.927 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -21.099 14.968 4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -19.675 14.422 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.534 13.262 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.986 14.940 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.681 14.117 3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.453 14.414 2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.311 16.556 2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.937 16.551 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.706 16.283 4.268 1.00 0.00 H new ATOM 649 N ASP A 43 -21.022 10.149 6.299 1.00 0.00 N ATOM 650 CA ASP A 43 -21.579 8.839 6.592 1.00 0.00 C ATOM 651 C ASP A 43 -22.561 8.448 5.486 1.00 0.00 C ATOM 652 O ASP A 43 -22.530 7.322 4.993 1.00 0.00 O ATOM 653 CB ASP A 43 -22.341 8.849 7.918 1.00 0.00 C ATOM 654 CG ASP A 43 -23.380 9.964 8.059 1.00 0.00 C ATOM 655 OD1 ASP A 43 -22.948 11.121 8.248 1.00 0.00 O ATOM 656 OD2 ASP A 43 -24.582 9.633 7.975 1.00 0.00 O ATOM 0 H ASP A 43 -21.023 10.799 7.085 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.755 8.129 6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -22.842 7.889 8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -21.622 8.938 8.732 1.00 0.00 H new ATOM 661 N SER A 44 -23.408 9.401 5.127 1.00 0.00 N ATOM 662 CA SER A 44 -24.397 9.171 4.088 1.00 0.00 C ATOM 663 C SER A 44 -23.706 8.738 2.793 1.00 0.00 C ATOM 664 O SER A 44 -24.085 7.738 2.187 1.00 0.00 O ATOM 665 CB SER A 44 -25.243 10.422 3.845 1.00 0.00 C ATOM 666 OG SER A 44 -24.447 11.602 3.789 1.00 0.00 O ATOM 0 H SER A 44 -23.430 10.335 5.537 1.00 0.00 H new ATOM 0 HA SER A 44 -25.062 8.375 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.794 10.311 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.982 10.520 4.641 1.00 0.00 H new ATOM 0 HG SER A 44 -25.024 12.378 3.631 1.00 0.00 H new ATOM 672 N GLU A 45 -22.703 9.514 2.409 1.00 0.00 N ATOM 673 CA GLU A 45 -21.954 9.224 1.197 1.00 0.00 C ATOM 674 C GLU A 45 -21.511 7.760 1.185 1.00 0.00 C ATOM 675 O GLU A 45 -21.777 7.035 0.228 1.00 0.00 O ATOM 676 CB GLU A 45 -20.754 10.162 1.057 1.00 0.00 C ATOM 677 CG GLU A 45 -20.938 11.115 -0.126 1.00 0.00 C ATOM 678 CD GLU A 45 -21.220 10.341 -1.415 1.00 0.00 C ATOM 679 OE1 GLU A 45 -20.239 9.832 -1.998 1.00 0.00 O ATOM 680 OE2 GLU A 45 -22.412 10.275 -1.788 1.00 0.00 O ATOM 0 H GLU A 45 -22.391 10.343 2.915 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.606 9.393 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.628 10.736 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.845 9.577 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.761 11.800 0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.042 11.722 -0.251 1.00 0.00 H new ATOM 687 N ILE A 46 -20.842 7.368 2.260 1.00 0.00 N ATOM 688 CA ILE A 46 -20.359 6.004 2.385 1.00 0.00 C ATOM 689 C ILE A 46 -21.494 5.033 2.051 1.00 0.00 C ATOM 690 O ILE A 46 -21.293 4.066 1.319 1.00 0.00 O ATOM 691 CB ILE A 46 -19.743 5.778 3.767 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.547 6.705 3.993 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.374 4.307 3.969 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.128 6.712 5.464 1.00 0.00 C ATOM 0 H ILE A 46 -20.623 7.972 3.052 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.558 5.817 1.670 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.491 6.029 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.710 6.381 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.803 7.717 3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -18.938 4.174 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.270 3.692 3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.651 4.006 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.276 7.379 5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -18.959 7.059 6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -17.850 5.703 5.768 1.00 0.00 H new ATOM 706 N ARG A 47 -22.661 5.325 2.605 1.00 0.00 N ATOM 707 CA ARG A 47 -23.828 4.490 2.376 1.00 0.00 C ATOM 708 C ARG A 47 -24.292 4.614 0.923 1.00 0.00 C ATOM 709 O ARG A 47 -24.776 3.646 0.338 1.00 0.00 O ATOM 710 CB ARG A 47 -24.978 4.883 3.306 1.00 0.00 C ATOM 711 CG ARG A 47 -24.763 4.320 4.712 1.00 0.00 C ATOM 712 CD ARG A 47 -26.036 3.655 5.238 1.00 0.00 C ATOM 713 NE ARG A 47 -25.818 3.161 6.616 1.00 0.00 N ATOM 714 CZ ARG A 47 -25.788 3.948 7.700 1.00 0.00 C ATOM 715 NH1 ARG A 47 -25.962 5.271 7.573 1.00 0.00 N ATOM 716 NH2 ARG A 47 -25.584 3.413 8.911 1.00 0.00 N ATOM 0 H ARG A 47 -22.824 6.128 3.212 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.544 3.459 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.057 5.969 3.353 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.920 4.512 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -23.950 3.595 4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.462 5.122 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -26.860 4.368 5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.319 2.828 4.587 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.682 2.159 6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -26.117 5.679 6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -25.939 5.870 8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.451 2.406 9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -25.561 4.012 9.736 1.00 0.00 H new ATOM 730 N GLN A 48 -24.126 5.812 0.382 1.00 0.00 N ATOM 731 CA GLN A 48 -24.522 6.074 -0.991 1.00 0.00 C ATOM 732 C GLN A 48 -23.687 5.229 -1.955 1.00 0.00 C ATOM 733 O GLN A 48 -24.223 4.382 -2.667 1.00 0.00 O ATOM 734 CB GLN A 48 -24.400 7.563 -1.322 1.00 0.00 C ATOM 735 CG GLN A 48 -25.442 8.382 -0.556 1.00 0.00 C ATOM 736 CD GLN A 48 -26.725 8.540 -1.374 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.815 9.346 -2.285 1.00 0.00 O ATOM 738 NE2 GLN A 48 -27.709 7.729 -0.999 1.00 0.00 N ATOM 0 H GLN A 48 -23.723 6.612 0.870 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.569 5.794 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.399 7.914 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.530 7.713 -2.394 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.669 7.894 0.392 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.035 9.365 -0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.567 7.077 -0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -28.606 7.758 -1.483 1.00 0.00 H new ATOM 747 N ILE A 49 -22.387 5.488 -1.945 1.00 0.00 N ATOM 748 CA ILE A 49 -21.473 4.761 -2.809 1.00 0.00 C ATOM 749 C ILE A 49 -21.881 3.287 -2.852 1.00 0.00 C ATOM 750 O ILE A 49 -22.167 2.749 -3.920 1.00 0.00 O ATOM 751 CB ILE A 49 -20.025 4.986 -2.367 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.610 6.444 -2.573 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.079 4.015 -3.076 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.577 6.873 -1.528 1.00 0.00 C ATOM 0 H ILE A 49 -21.946 6.191 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.533 5.138 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.957 4.780 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.195 6.570 -3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.487 7.088 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.057 4.196 -2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.363 2.990 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.143 4.166 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.299 7.913 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.004 6.769 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.692 6.243 -1.611 1.00 0.00 H new ATOM 766 N GLU A 50 -21.895 2.676 -1.676 1.00 0.00 N ATOM 767 CA GLU A 50 -22.263 1.275 -1.566 1.00 0.00 C ATOM 768 C GLU A 50 -23.473 0.972 -2.452 1.00 0.00 C ATOM 769 O GLU A 50 -23.485 -0.024 -3.173 1.00 0.00 O ATOM 770 CB GLU A 50 -22.541 0.894 -0.110 1.00 0.00 C ATOM 771 CG GLU A 50 -21.365 0.120 0.488 1.00 0.00 C ATOM 772 CD GLU A 50 -21.850 -0.918 1.502 1.00 0.00 C ATOM 773 OE1 GLU A 50 -23.016 -1.347 1.361 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.045 -1.258 2.396 1.00 0.00 O ATOM 0 H GLU A 50 -21.657 3.126 -0.792 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.424 0.671 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.724 1.794 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.445 0.288 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.809 -0.376 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.678 0.813 0.973 1.00 0.00 H new ATOM 781 N CYS A 51 -24.461 1.851 -2.370 1.00 0.00 N ATOM 782 CA CYS A 51 -25.672 1.691 -3.156 1.00 0.00 C ATOM 783 C CYS A 51 -25.345 2.013 -4.615 1.00 0.00 C ATOM 784 O CYS A 51 -25.643 1.225 -5.511 1.00 0.00 O ATOM 785 CB CYS A 51 -26.812 2.560 -2.622 1.00 0.00 C ATOM 786 SG CYS A 51 -28.424 1.780 -3.001 1.00 0.00 S ATOM 0 H CYS A 51 -24.447 2.676 -1.771 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.022 0.661 -3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.706 2.691 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.765 3.552 -3.070 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.385 2.525 -2.541 1.00 0.00 H new ATOM 792 N ASP A 52 -24.735 3.174 -4.809 1.00 0.00 N ATOM 793 CA ASP A 52 -24.363 3.610 -6.144 1.00 0.00 C ATOM 794 C ASP A 52 -23.841 2.413 -6.940 1.00 0.00 C ATOM 795 O ASP A 52 -24.321 2.136 -8.039 1.00 0.00 O ATOM 796 CB ASP A 52 -23.255 4.663 -6.091 1.00 0.00 C ATOM 797 CG ASP A 52 -23.510 5.914 -6.934 1.00 0.00 C ATOM 798 OD1 ASP A 52 -24.415 6.685 -6.546 1.00 0.00 O ATOM 799 OD2 ASP A 52 -22.795 6.072 -7.947 1.00 0.00 O ATOM 0 H ASP A 52 -24.489 3.826 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.246 4.040 -6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.111 4.965 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.323 4.205 -6.421 1.00 0.00 H new ATOM 804 N SER A 53 -22.864 1.735 -6.356 1.00 0.00 N ATOM 805 CA SER A 53 -22.271 0.574 -6.997 1.00 0.00 C ATOM 806 C SER A 53 -22.185 -0.586 -6.003 1.00 0.00 C ATOM 807 O SER A 53 -21.780 -0.398 -4.857 1.00 0.00 O ATOM 808 CB SER A 53 -20.883 0.900 -7.552 1.00 0.00 C ATOM 809 OG SER A 53 -20.865 2.142 -8.251 1.00 0.00 O ATOM 0 H SER A 53 -22.468 1.968 -5.445 1.00 0.00 H new ATOM 0 HA SER A 53 -22.908 0.283 -7.832 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.164 0.934 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.564 0.102 -8.223 1.00 0.00 H new ATOM 0 HG SER A 53 -20.413 2.026 -9.113 1.00 0.00 H new ATOM 815 N GLU A 54 -22.574 -1.760 -6.479 1.00 0.00 N ATOM 816 CA GLU A 54 -22.547 -2.951 -5.646 1.00 0.00 C ATOM 817 C GLU A 54 -21.125 -3.509 -5.565 1.00 0.00 C ATOM 818 O GLU A 54 -20.690 -3.957 -4.506 1.00 0.00 O ATOM 819 CB GLU A 54 -23.522 -4.008 -6.169 1.00 0.00 C ATOM 820 CG GLU A 54 -23.057 -4.565 -7.515 1.00 0.00 C ATOM 821 CD GLU A 54 -24.157 -5.402 -8.172 1.00 0.00 C ATOM 822 OE1 GLU A 54 -24.630 -6.344 -7.501 1.00 0.00 O ATOM 823 OE2 GLU A 54 -24.499 -5.080 -9.330 1.00 0.00 O ATOM 0 H GLU A 54 -22.909 -1.912 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.866 -2.676 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.607 -4.819 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -24.515 -3.571 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -22.777 -3.744 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -22.166 -5.177 -7.371 1.00 0.00 H new ATOM 830 N ASP A 55 -20.441 -3.465 -6.699 1.00 0.00 N ATOM 831 CA ASP A 55 -19.077 -3.961 -6.769 1.00 0.00 C ATOM 832 C ASP A 55 -18.191 -3.140 -5.830 1.00 0.00 C ATOM 833 O ASP A 55 -18.578 -2.057 -5.395 1.00 0.00 O ATOM 834 CB ASP A 55 -18.514 -3.827 -8.186 1.00 0.00 C ATOM 835 CG ASP A 55 -18.820 -5.002 -9.117 1.00 0.00 C ATOM 836 OD1 ASP A 55 -19.495 -5.941 -8.642 1.00 0.00 O ATOM 837 OD2 ASP A 55 -18.372 -4.935 -10.282 1.00 0.00 O ATOM 0 H ASP A 55 -20.806 -3.094 -7.576 1.00 0.00 H new ATOM 0 HA ASP A 55 -19.086 -5.012 -6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.910 -2.916 -8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.433 -3.706 -8.121 1.00 0.00 H new ATOM 842 N MET A 56 -17.019 -3.688 -5.545 1.00 0.00 N ATOM 843 CA MET A 56 -16.075 -3.020 -4.665 1.00 0.00 C ATOM 844 C MET A 56 -15.212 -2.023 -5.441 1.00 0.00 C ATOM 845 O MET A 56 -15.057 -0.876 -5.026 1.00 0.00 O ATOM 846 CB MET A 56 -15.175 -4.062 -3.996 1.00 0.00 C ATOM 847 CG MET A 56 -15.286 -3.985 -2.472 1.00 0.00 C ATOM 848 SD MET A 56 -16.944 -4.407 -1.959 1.00 0.00 S ATOM 849 CE MET A 56 -16.584 -5.319 -0.468 1.00 0.00 C ATOM 0 H MET A 56 -16.702 -4.587 -5.908 1.00 0.00 H new ATOM 0 HA MET A 56 -16.637 -2.473 -3.908 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.454 -5.060 -4.335 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.140 -3.901 -4.297 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.570 -4.666 -2.012 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.035 -2.980 -2.131 1.00 0.00 H new ATOM 0 HE1 MET A 56 -17.437 -5.947 -0.211 1.00 0.00 H new ATOM 0 HE2 MET A 56 -15.707 -5.946 -0.628 1.00 0.00 H new ATOM 0 HE3 MET A 56 -16.388 -4.622 0.347 1.00 0.00 H new ATOM 859 N LYS A 57 -14.673 -2.497 -6.555 1.00 0.00 N ATOM 860 CA LYS A 57 -13.831 -1.662 -7.393 1.00 0.00 C ATOM 861 C LYS A 57 -14.502 -0.301 -7.588 1.00 0.00 C ATOM 862 O LYS A 57 -13.868 0.739 -7.410 1.00 0.00 O ATOM 863 CB LYS A 57 -13.501 -2.378 -8.704 1.00 0.00 C ATOM 864 CG LYS A 57 -12.478 -3.493 -8.477 1.00 0.00 C ATOM 865 CD LYS A 57 -12.202 -4.256 -9.775 1.00 0.00 C ATOM 866 CE LYS A 57 -11.927 -5.735 -9.493 1.00 0.00 C ATOM 867 NZ LYS A 57 -11.061 -6.310 -10.546 1.00 0.00 N ATOM 0 H LYS A 57 -14.804 -3.449 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.873 -1.479 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.411 -2.797 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.109 -1.661 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.549 -3.068 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.848 -4.182 -7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.057 -4.162 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.347 -3.814 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.447 -5.843 -8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.868 -6.284 -9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.884 -7.314 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.533 -6.224 -11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.157 -5.797 -10.570 1.00 0.00 H new ATOM 881 N MET A 58 -15.775 -0.351 -7.950 1.00 0.00 N ATOM 882 CA MET A 58 -16.539 0.865 -8.170 1.00 0.00 C ATOM 883 C MET A 58 -16.640 1.690 -6.886 1.00 0.00 C ATOM 884 O MET A 58 -16.239 2.852 -6.857 1.00 0.00 O ATOM 885 CB MET A 58 -17.944 0.504 -8.657 1.00 0.00 C ATOM 886 CG MET A 58 -17.979 0.370 -10.181 1.00 0.00 C ATOM 887 SD MET A 58 -19.124 1.552 -10.872 1.00 0.00 S ATOM 888 CE MET A 58 -18.089 3.006 -10.901 1.00 0.00 C ATOM 0 H MET A 58 -16.297 -1.215 -8.097 1.00 0.00 H new ATOM 0 HA MET A 58 -16.026 1.463 -8.923 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.262 -0.432 -8.199 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.651 1.271 -8.339 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.983 0.534 -10.592 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.276 -0.641 -10.459 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.652 3.846 -11.308 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.766 3.243 -9.887 1.00 0.00 H new ATOM 0 HE3 MET A 58 -17.216 2.818 -11.526 1.00 0.00 H new ATOM 898 N ARG A 59 -17.178 1.056 -5.854 1.00 0.00 N ATOM 899 CA ARG A 59 -17.337 1.717 -4.570 1.00 0.00 C ATOM 900 C ARG A 59 -16.048 2.445 -4.185 1.00 0.00 C ATOM 901 O ARG A 59 -16.087 3.592 -3.742 1.00 0.00 O ATOM 902 CB ARG A 59 -17.693 0.711 -3.473 1.00 0.00 C ATOM 903 CG ARG A 59 -19.116 0.181 -3.656 1.00 0.00 C ATOM 904 CD ARG A 59 -19.370 -1.031 -2.757 1.00 0.00 C ATOM 905 NE ARG A 59 -20.807 -1.384 -2.778 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.349 -2.368 -2.048 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.577 -3.103 -1.236 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.663 -2.618 -2.130 1.00 0.00 N ATOM 0 H ARG A 59 -17.509 0.092 -5.881 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.150 2.436 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.987 -0.119 -3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.601 1.185 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.834 0.968 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.274 -0.096 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.774 -1.878 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.056 -0.810 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.423 -0.845 -3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.577 -2.913 -1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.990 -3.852 -0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.251 -2.059 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -23.075 -3.367 -1.574 1.00 0.00 H new ATOM 922 N ALA A 60 -14.935 1.750 -4.368 1.00 0.00 N ATOM 923 CA ALA A 60 -13.636 2.316 -4.046 1.00 0.00 C ATOM 924 C ALA A 60 -13.370 3.520 -4.952 1.00 0.00 C ATOM 925 O ALA A 60 -12.976 4.584 -4.478 1.00 0.00 O ATOM 926 CB ALA A 60 -12.561 1.237 -4.179 1.00 0.00 C ATOM 0 H ALA A 60 -14.906 0.799 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.617 2.669 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.587 1.662 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.780 0.419 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.549 0.860 -5.202 1.00 0.00 H new ATOM 932 N LYS A 61 -13.597 3.311 -6.241 1.00 0.00 N ATOM 933 CA LYS A 61 -13.387 4.365 -7.218 1.00 0.00 C ATOM 934 C LYS A 61 -14.263 5.567 -6.862 1.00 0.00 C ATOM 935 O LYS A 61 -13.767 6.686 -6.733 1.00 0.00 O ATOM 936 CB LYS A 61 -13.616 3.836 -8.635 1.00 0.00 C ATOM 937 CG LYS A 61 -13.079 4.816 -9.680 1.00 0.00 C ATOM 938 CD LYS A 61 -13.966 4.829 -10.927 1.00 0.00 C ATOM 939 CE LYS A 61 -13.274 5.551 -12.085 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.270 6.239 -12.936 1.00 0.00 N ATOM 0 H LYS A 61 -13.924 2.427 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.352 4.706 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.124 2.870 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.681 3.673 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.031 5.818 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.062 4.538 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.202 3.806 -11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.912 5.321 -10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.559 6.275 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.709 4.835 -12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.784 6.724 -13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.937 5.541 -13.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.791 6.936 -12.367 1.00 0.00 H new ATOM 954 N GLN A 62 -15.552 5.296 -6.712 1.00 0.00 N ATOM 955 CA GLN A 62 -16.502 6.342 -6.373 1.00 0.00 C ATOM 956 C GLN A 62 -15.956 7.207 -5.235 1.00 0.00 C ATOM 957 O GLN A 62 -16.123 8.425 -5.241 1.00 0.00 O ATOM 958 CB GLN A 62 -17.863 5.747 -6.005 1.00 0.00 C ATOM 959 CG GLN A 62 -18.655 5.374 -7.260 1.00 0.00 C ATOM 960 CD GLN A 62 -19.752 6.403 -7.542 1.00 0.00 C ATOM 961 OE1 GLN A 62 -19.809 7.015 -8.596 1.00 0.00 O ATOM 962 NE2 GLN A 62 -20.617 6.558 -6.544 1.00 0.00 N ATOM 0 H GLN A 62 -15.960 4.367 -6.819 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.643 6.976 -7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.721 4.863 -5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.430 6.465 -5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.981 5.312 -8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.101 4.387 -7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.511 6.013 -5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.386 7.221 -6.634 1.00 0.00 H new ATOM 971 N LEU A 63 -15.314 6.542 -4.285 1.00 0.00 N ATOM 972 CA LEU A 63 -14.743 7.235 -3.143 1.00 0.00 C ATOM 973 C LEU A 63 -13.606 8.142 -3.618 1.00 0.00 C ATOM 974 O LEU A 63 -13.621 9.346 -3.366 1.00 0.00 O ATOM 975 CB LEU A 63 -14.321 6.234 -2.065 1.00 0.00 C ATOM 976 CG LEU A 63 -13.569 6.816 -0.867 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.427 7.844 -0.128 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.077 5.705 0.064 1.00 0.00 C ATOM 0 H LEU A 63 -15.177 5.531 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.489 7.877 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.214 5.728 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.692 5.474 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.688 7.339 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.869 8.242 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.686 8.657 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.339 7.366 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.546 6.146 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.930 5.134 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.405 5.043 -0.482 1.00 0.00 H new ATOM 990 N LEU A 64 -12.648 7.530 -4.298 1.00 0.00 N ATOM 991 CA LEU A 64 -11.506 8.267 -4.811 1.00 0.00 C ATOM 992 C LEU A 64 -12.000 9.491 -5.584 1.00 0.00 C ATOM 993 O LEU A 64 -11.416 10.569 -5.486 1.00 0.00 O ATOM 994 CB LEU A 64 -10.598 7.347 -5.631 1.00 0.00 C ATOM 995 CG LEU A 64 -9.667 6.436 -4.829 1.00 0.00 C ATOM 996 CD1 LEU A 64 -9.945 6.551 -3.329 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.760 4.989 -5.320 1.00 0.00 C ATOM 0 H LEU A 64 -12.639 6.531 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.890 8.635 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.226 6.723 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.989 7.965 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.641 6.767 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.269 5.893 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.788 7.581 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.976 6.261 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.088 4.362 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.783 4.631 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.475 4.942 -6.371 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.071 9.284 -6.336 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.651 10.357 -7.126 1.00 0.00 C ATOM 1011 C VAL A 65 -14.198 11.436 -6.188 1.00 0.00 C ATOM 1012 O VAL A 65 -13.737 12.576 -6.212 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.712 9.795 -8.074 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.349 10.910 -8.906 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.121 8.708 -8.975 1.00 0.00 C ATOM 0 H VAL A 65 -13.553 8.388 -6.415 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.891 10.825 -7.752 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.495 9.339 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -16.100 10.484 -9.572 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.822 11.634 -8.243 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.580 11.407 -9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.896 8.325 -9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.310 9.129 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.736 7.895 -8.360 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.173 11.037 -5.385 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.788 11.955 -4.441 1.00 0.00 C ATOM 1027 C ALA A 66 -14.700 12.601 -3.582 1.00 0.00 C ATOM 1028 O ALA A 66 -14.827 13.756 -3.178 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.825 11.206 -3.602 1.00 0.00 C ATOM 0 H ALA A 66 -15.553 10.090 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.310 12.754 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.286 11.895 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.592 10.791 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.337 10.398 -3.057 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.654 11.828 -3.329 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.544 12.311 -2.525 1.00 0.00 C ATOM 1037 C TRP A 67 -11.704 13.250 -3.394 1.00 0.00 C ATOM 1038 O TRP A 67 -11.127 14.215 -2.893 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.736 11.146 -1.950 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.380 11.555 -1.371 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.123 12.092 -0.170 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.097 11.438 -2.021 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.775 12.328 0.001 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.130 11.918 -1.160 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.763 10.943 -3.294 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.767 11.950 -1.479 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.397 10.982 -3.598 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.412 11.462 -2.742 1.00 0.00 C ATOM 0 H TRP A 67 -13.552 10.871 -3.666 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.907 12.868 -1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.322 10.662 -1.169 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.576 10.406 -2.734 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.877 12.312 0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.333 12.730 0.828 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.502 10.563 -3.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.029 12.331 -0.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.087 10.614 -4.565 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.377 11.458 -3.050 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.662 12.935 -4.680 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.903 13.738 -5.623 1.00 0.00 C ATOM 1061 C GLN A 68 -11.635 15.050 -5.913 1.00 0.00 C ATOM 1062 O GLN A 68 -11.003 16.087 -6.110 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.636 12.962 -6.914 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.858 13.817 -7.917 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.628 13.056 -9.224 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -10.427 13.096 -10.145 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.494 12.362 -9.253 1.00 0.00 N ATOM 0 H GLN A 68 -12.142 12.134 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.938 13.975 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.072 12.057 -6.688 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.582 12.647 -7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.407 14.737 -8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.899 14.106 -7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.869 12.372 -8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.249 11.820 -10.082 1.00 0.00 H new ATOM 1076 N ASP A 69 -12.957 14.962 -5.929 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.782 16.129 -6.191 1.00 0.00 C ATOM 1078 C ASP A 69 -13.887 16.970 -4.918 1.00 0.00 C ATOM 1079 O ASP A 69 -13.905 18.199 -4.981 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.196 15.721 -6.607 1.00 0.00 C ATOM 1081 CG ASP A 69 -16.105 16.877 -7.030 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.554 17.973 -7.269 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -17.329 16.639 -7.106 1.00 0.00 O ATOM 0 H ASP A 69 -13.477 14.100 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.318 16.696 -6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.125 15.013 -7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.665 15.195 -5.776 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.954 16.276 -3.792 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.057 16.944 -2.506 1.00 0.00 C ATOM 1090 C GLN A 70 -12.782 17.738 -2.216 1.00 0.00 C ATOM 1091 O GLN A 70 -12.805 18.968 -2.187 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.343 15.939 -1.387 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.842 16.462 -0.039 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.762 16.015 1.098 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.949 16.296 1.118 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -14.150 15.304 2.041 1.00 0.00 N ATOM 0 H GLN A 70 -13.939 15.257 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.894 17.641 -2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.414 15.747 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.860 14.989 -1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.830 16.099 0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.791 17.551 -0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.153 15.104 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.678 14.958 2.842 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.699 17.003 -2.010 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.416 17.624 -1.724 1.00 0.00 C ATOM 1107 C GLU A 71 -9.995 18.530 -2.883 1.00 0.00 C ATOM 1108 O GLU A 71 -9.286 19.514 -2.680 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.348 16.567 -1.437 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.630 15.845 -0.118 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.788 16.431 1.018 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -7.550 16.464 0.848 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -9.402 16.833 2.030 1.00 0.00 O ATOM 0 H GLU A 71 -11.683 15.983 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.522 18.238 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.319 15.844 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.366 17.039 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.689 15.929 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.412 14.783 -0.227 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.449 18.165 -4.073 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.128 18.932 -5.264 1.00 0.00 C ATOM 1122 C GLY A 72 -8.700 18.645 -5.733 1.00 0.00 C ATOM 1123 O GLY A 72 -8.315 17.488 -5.887 1.00 0.00 O ATOM 0 H GLY A 72 -11.037 17.348 -4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.832 18.687 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.239 19.996 -5.056 1.00 0.00 H new ATOM 1127 N VAL A 73 -7.955 19.720 -5.946 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.578 19.598 -6.394 1.00 0.00 C ATOM 1129 C VAL A 73 -5.698 19.177 -5.215 1.00 0.00 C ATOM 1130 O VAL A 73 -4.512 18.899 -5.389 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.121 20.905 -7.044 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.142 21.391 -8.075 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.856 21.980 -5.987 1.00 0.00 C ATOM 0 H VAL A 73 -8.279 20.679 -5.817 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.492 18.824 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.184 20.710 -7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.793 22.322 -8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.261 20.637 -8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.101 21.561 -7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.532 22.899 -6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.770 22.171 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.076 21.637 -5.307 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.312 19.144 -4.041 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.599 18.763 -2.834 1.00 0.00 C ATOM 1145 C HIS A 74 -5.511 17.237 -2.751 1.00 0.00 C ATOM 1146 O HIS A 74 -4.683 16.699 -2.017 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.250 19.387 -1.598 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.280 20.897 -1.617 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.282 21.673 -1.054 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -7.197 21.763 -2.136 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -5.595 22.949 -1.232 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.782 23.002 -1.902 1.00 0.00 N ATOM 0 H HIS A 74 -7.295 19.375 -3.900 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.581 19.150 -2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.271 19.014 -1.510 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.712 19.055 -0.710 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.106 21.488 -2.650 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.013 23.797 -0.904 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.271 23.854 -2.178 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.375 16.584 -3.514 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.405 15.132 -3.536 1.00 0.00 C ATOM 1162 C ALA A 75 -5.119 14.609 -4.180 1.00 0.00 C ATOM 1163 O ALA A 75 -5.061 14.423 -5.394 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.660 14.658 -4.271 1.00 0.00 C ATOM 0 H ALA A 75 -7.060 17.034 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.451 14.734 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.682 13.568 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.546 15.031 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.648 15.036 -5.293 1.00 0.00 H new ATOM 1170 N THR A 76 -4.121 14.386 -3.338 1.00 0.00 N ATOM 1171 CA THR A 76 -2.840 13.889 -3.810 1.00 0.00 C ATOM 1172 C THR A 76 -2.620 12.450 -3.337 1.00 0.00 C ATOM 1173 O THR A 76 -3.299 11.982 -2.424 1.00 0.00 O ATOM 1174 CB THR A 76 -1.754 14.856 -3.337 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.115 15.153 -1.991 1.00 0.00 O ATOM 1176 CG2 THR A 76 -1.824 16.209 -4.049 1.00 0.00 C ATOM 0 H THR A 76 -4.174 14.540 -2.331 1.00 0.00 H new ATOM 0 HA THR A 76 -2.808 13.849 -4.899 1.00 0.00 H new ATOM 0 HB THR A 76 -0.774 14.409 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.778 15.874 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.031 16.858 -3.676 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.699 16.063 -5.122 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.792 16.672 -3.857 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.644 11.771 -3.997 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.326 10.396 -3.655 1.00 0.00 C ATOM 1186 C PRO A 77 -0.537 10.325 -2.345 1.00 0.00 C ATOM 1187 O PRO A 77 -0.507 9.285 -1.690 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.547 9.863 -4.846 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.058 11.086 -5.605 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.820 12.294 -5.084 1.00 0.00 C ATOM 0 HA PRO A 77 -2.215 9.792 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.290 9.245 -4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.178 9.238 -5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.014 11.220 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.224 10.963 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.140 13.068 -4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.433 12.743 -5.865 1.00 0.00 H new ATOM 1198 N GLU A 78 0.082 11.446 -2.004 1.00 0.00 N ATOM 1199 CA GLU A 78 0.868 11.524 -0.785 1.00 0.00 C ATOM 1200 C GLU A 78 -0.051 11.600 0.436 1.00 0.00 C ATOM 1201 O GLU A 78 0.177 10.914 1.432 1.00 0.00 O ATOM 1202 CB GLU A 78 1.825 12.718 -0.825 1.00 0.00 C ATOM 1203 CG GLU A 78 3.037 12.480 0.078 1.00 0.00 C ATOM 1204 CD GLU A 78 3.058 13.475 1.240 1.00 0.00 C ATOM 1205 OE1 GLU A 78 3.095 14.690 0.947 1.00 0.00 O ATOM 1206 OE2 GLU A 78 3.037 12.999 2.396 1.00 0.00 O ATOM 0 H GLU A 78 0.055 12.307 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 78 1.470 10.619 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.158 12.888 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.301 13.619 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.011 11.462 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.953 12.576 -0.504 1.00 0.00 H new ATOM 1213 N ASN A 79 -1.070 12.438 0.319 1.00 0.00 N ATOM 1214 CA ASN A 79 -2.024 12.612 1.401 1.00 0.00 C ATOM 1215 C ASN A 79 -2.806 11.311 1.599 1.00 0.00 C ATOM 1216 O ASN A 79 -3.010 10.872 2.730 1.00 0.00 O ATOM 1217 CB ASN A 79 -3.027 13.721 1.078 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.419 15.101 1.333 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.373 15.244 1.945 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -3.130 16.107 0.832 1.00 0.00 N ATOM 0 H ASN A 79 -1.256 13.004 -0.509 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.469 12.878 2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.337 13.643 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.922 13.596 1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.808 17.068 0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.997 15.918 0.330 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.221 10.731 0.483 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.975 9.490 0.520 1.00 0.00 C ATOM 1229 C LEU A 80 -3.154 8.421 1.243 1.00 0.00 C ATOM 1230 O LEU A 80 -3.644 7.778 2.171 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.407 9.083 -0.890 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.647 8.191 -0.981 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.833 8.824 -0.250 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -5.981 7.862 -2.437 1.00 0.00 C ATOM 0 H LEU A 80 -3.049 11.098 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.897 9.622 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.592 9.989 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.575 8.565 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.426 7.248 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.701 8.170 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.580 8.964 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.064 9.790 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.866 7.227 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.174 8.785 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.141 7.339 -2.894 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.918 8.263 0.792 1.00 0.00 N ATOM 1247 CA ILE A 81 -1.024 7.283 1.385 1.00 0.00 C ATOM 1248 C ILE A 81 -0.919 7.539 2.889 1.00 0.00 C ATOM 1249 O ILE A 81 -1.049 6.615 3.691 1.00 0.00 O ATOM 1250 CB ILE A 81 0.326 7.284 0.665 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.202 6.676 -0.734 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.395 6.580 1.503 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.441 6.984 -1.577 1.00 0.00 C ATOM 0 H ILE A 81 -1.515 8.797 0.023 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.425 6.277 1.260 1.00 0.00 H new ATOM 0 HB ILE A 81 0.645 8.319 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.070 5.597 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.686 7.070 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.345 6.595 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.508 7.096 2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.095 5.547 1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.327 6.541 -2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.556 8.064 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.324 6.567 -1.092 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.683 8.798 3.228 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.559 9.188 4.622 1.00 0.00 C ATOM 1267 C ASN A 82 -1.777 8.684 5.398 1.00 0.00 C ATOM 1268 O ASN A 82 -1.635 8.093 6.468 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.503 10.710 4.766 1.00 0.00 C ATOM 1270 CG ASN A 82 0.659 11.133 5.667 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.745 11.454 5.214 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.370 11.116 6.965 1.00 0.00 N ATOM 0 H ASN A 82 -0.574 9.562 2.561 1.00 0.00 H new ATOM 0 HA ASN A 82 0.362 8.755 5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.391 11.168 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.442 11.074 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.078 11.382 7.649 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.560 10.837 7.277 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.947 8.937 4.830 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.189 8.517 5.456 1.00 0.00 C ATOM 1281 C ALA A 83 -4.210 6.991 5.564 1.00 0.00 C ATOM 1282 O ALA A 83 -4.614 6.443 6.589 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.374 9.060 4.655 1.00 0.00 C ATOM 0 H ALA A 83 -3.061 9.428 3.943 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.265 8.921 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.306 8.745 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.329 10.149 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.332 8.674 3.637 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.768 6.347 4.494 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.730 4.895 4.456 1.00 0.00 C ATOM 1291 C LEU A 84 -2.947 4.378 5.664 1.00 0.00 C ATOM 1292 O LEU A 84 -3.366 3.423 6.317 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.181 4.408 3.113 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.061 4.678 1.891 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.226 4.705 0.610 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.208 3.669 1.807 1.00 0.00 C ATOM 0 H LEU A 84 -3.433 6.804 3.646 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.738 4.486 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.211 4.877 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.008 3.334 3.182 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.509 5.665 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.875 4.899 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.476 5.493 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.731 3.743 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.818 3.884 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.801 2.661 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.824 3.742 2.704 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.825 5.031 5.926 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.980 4.649 7.044 1.00 0.00 C ATOM 1310 C ASN A 85 -1.811 4.647 8.329 1.00 0.00 C ATOM 1311 O ASN A 85 -2.074 3.591 8.901 1.00 0.00 O ATOM 1312 CB ASN A 85 0.172 5.640 7.228 1.00 0.00 C ATOM 1313 CG ASN A 85 1.519 4.974 6.939 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.051 4.219 7.735 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.039 5.296 5.758 1.00 0.00 N ATOM 0 H ASN A 85 -1.481 5.823 5.383 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.575 3.659 6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.033 6.492 6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.165 6.027 8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.936 4.904 5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.541 5.935 5.138 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.201 5.843 8.745 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.997 5.993 9.951 1.00 0.00 C ATOM 1324 C LYS A 86 -4.133 4.968 9.938 1.00 0.00 C ATOM 1325 O LYS A 86 -4.396 4.314 10.946 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.475 7.438 10.102 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.187 7.916 8.835 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.529 9.404 8.925 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.156 9.742 10.279 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.471 11.185 10.359 1.00 0.00 N ATOM 0 H LYS A 86 -1.980 6.717 8.268 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.392 5.788 10.834 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.151 7.514 10.954 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.624 8.086 10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.552 7.737 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.099 7.338 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.626 9.998 8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.218 9.671 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.065 9.157 10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.471 9.468 11.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.896 11.397 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.598 11.738 10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.141 11.436 9.605 1.00 0.00 H new ATOM 1344 N SER A 87 -4.776 4.859 8.785 1.00 0.00 N ATOM 1345 CA SER A 87 -5.878 3.925 8.627 1.00 0.00 C ATOM 1346 C SER A 87 -5.384 2.493 8.844 1.00 0.00 C ATOM 1347 O SER A 87 -6.129 1.644 9.332 1.00 0.00 O ATOM 1348 CB SER A 87 -6.521 4.061 7.245 1.00 0.00 C ATOM 1349 OG SER A 87 -6.247 2.935 6.416 1.00 0.00 O ATOM 0 H SER A 87 -4.555 5.402 7.951 1.00 0.00 H new ATOM 0 HA SER A 87 -6.636 4.159 9.375 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.599 4.175 7.356 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.153 4.966 6.761 1.00 0.00 H new ATOM 0 HG SER A 87 -6.134 3.231 5.489 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.133 2.269 8.471 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.532 0.955 8.619 1.00 0.00 C ATOM 1357 C GLY A 88 -3.316 0.294 7.256 1.00 0.00 C ATOM 1358 O GLY A 88 -2.744 -0.792 7.172 1.00 0.00 O ATOM 0 H GLY A 88 -3.519 2.976 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.578 1.044 9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.174 0.325 9.235 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.786 0.977 6.222 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.651 0.469 4.867 1.00 0.00 C ATOM 1364 C LEU A 89 -2.194 0.603 4.420 1.00 0.00 C ATOM 1365 O LEU A 89 -1.907 1.252 3.416 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.647 1.162 3.935 1.00 0.00 C ATOM 1367 CG LEU A 89 -6.043 0.541 3.863 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -5.972 -0.916 3.399 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -6.775 0.682 5.199 1.00 0.00 C ATOM 0 H LEU A 89 -4.260 1.877 6.295 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.899 -0.592 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.749 2.200 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.225 1.175 2.930 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.622 1.088 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.978 -1.334 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.518 -0.961 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.369 -1.492 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.765 0.232 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.207 0.176 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.875 1.738 5.449 1.00 0.00 H new ATOM 1381 N SER A 90 -1.314 -0.023 5.187 1.00 0.00 N ATOM 1382 CA SER A 90 0.106 0.017 4.881 1.00 0.00 C ATOM 1383 C SER A 90 0.362 -0.582 3.497 1.00 0.00 C ATOM 1384 O SER A 90 1.264 -0.145 2.784 1.00 0.00 O ATOM 1385 CB SER A 90 0.919 -0.730 5.941 1.00 0.00 C ATOM 1386 OG SER A 90 0.457 -2.066 6.124 1.00 0.00 O ATOM 0 H SER A 90 -1.556 -0.561 6.019 1.00 0.00 H new ATOM 0 HA SER A 90 0.426 1.059 4.883 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.969 -0.746 5.648 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.861 -0.193 6.888 1.00 0.00 H new ATOM 0 HG SER A 90 1.002 -2.510 6.807 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.449 -1.574 3.158 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.322 -2.238 1.872 1.00 0.00 C ATOM 1394 C ASP A 91 -0.481 -1.207 0.753 1.00 0.00 C ATOM 1395 O ASP A 91 0.405 -1.055 -0.086 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.407 -3.302 1.692 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.001 -4.501 0.833 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -0.679 -4.267 -0.352 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -1.020 -5.624 1.381 1.00 0.00 O ATOM 0 H ASP A 91 -1.196 -1.934 3.752 1.00 0.00 H new ATOM 0 HA ASP A 91 0.659 -2.712 1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.707 -3.664 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.283 -2.833 1.244 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.617 -0.525 0.777 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.903 0.488 -0.225 1.00 0.00 C ATOM 1406 C LEU A 92 -0.761 1.506 -0.256 1.00 0.00 C ATOM 1407 O LEU A 92 -0.127 1.701 -1.292 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.278 1.113 0.022 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.445 0.492 -0.747 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.676 1.219 -2.074 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.234 -1.010 -0.946 1.00 0.00 C ATOM 0 H LEU A 92 -2.350 -0.654 1.474 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.956 0.038 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.497 1.051 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.225 2.172 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.350 0.614 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.511 0.758 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.904 2.267 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.778 1.151 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.078 -1.426 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.316 -1.177 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.157 -1.498 0.025 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.534 2.127 0.892 1.00 0.00 N ATOM 1424 CA ALA A 93 0.521 3.120 1.009 1.00 0.00 C ATOM 1425 C ALA A 93 1.731 2.671 0.188 1.00 0.00 C ATOM 1426 O ALA A 93 2.093 3.316 -0.795 1.00 0.00 O ATOM 1427 CB ALA A 93 0.862 3.330 2.485 1.00 0.00 C ATOM 0 H ALA A 93 -1.062 1.962 1.749 1.00 0.00 H new ATOM 0 HA ALA A 93 0.191 4.080 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.653 4.075 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.024 3.677 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.200 2.388 2.918 1.00 0.00 H new ATOM 1433 N GLU A 94 2.325 1.569 0.623 1.00 0.00 N ATOM 1434 CA GLU A 94 3.487 1.026 -0.059 1.00 0.00 C ATOM 1435 C GLU A 94 3.164 0.761 -1.531 1.00 0.00 C ATOM 1436 O GLU A 94 3.889 1.205 -2.420 1.00 0.00 O ATOM 1437 CB GLU A 94 3.984 -0.246 0.631 1.00 0.00 C ATOM 1438 CG GLU A 94 4.559 0.069 2.013 1.00 0.00 C ATOM 1439 CD GLU A 94 5.759 -0.828 2.326 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.659 -0.893 1.462 1.00 0.00 O ATOM 1441 OE2 GLU A 94 5.747 -1.429 3.422 1.00 0.00 O ATOM 0 H GLU A 94 2.023 1.038 1.440 1.00 0.00 H new ATOM 0 HA GLU A 94 4.289 1.763 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.163 -0.956 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.747 -0.723 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.862 1.115 2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.789 -0.070 2.772 1.00 0.00 H new ATOM 1448 N SER A 95 2.074 0.038 -1.743 1.00 0.00 N ATOM 1449 CA SER A 95 1.645 -0.292 -3.091 1.00 0.00 C ATOM 1450 C SER A 95 1.836 0.915 -4.011 1.00 0.00 C ATOM 1451 O SER A 95 2.510 0.818 -5.036 1.00 0.00 O ATOM 1452 CB SER A 95 0.184 -0.747 -3.109 1.00 0.00 C ATOM 1453 OG SER A 95 0.044 -2.108 -2.710 1.00 0.00 O ATOM 0 H SER A 95 1.475 -0.329 -1.003 1.00 0.00 H new ATOM 0 HA SER A 95 2.259 -1.117 -3.452 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.402 -0.112 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.223 -0.619 -4.112 1.00 0.00 H new ATOM 0 HG SER A 95 0.121 -2.173 -1.735 1.00 0.00 H new ATOM 1459 N LEU A 96 1.232 2.024 -3.612 1.00 0.00 N ATOM 1460 CA LEU A 96 1.328 3.249 -4.388 1.00 0.00 C ATOM 1461 C LEU A 96 2.798 3.654 -4.514 1.00 0.00 C ATOM 1462 O LEU A 96 3.393 3.518 -5.582 1.00 0.00 O ATOM 1463 CB LEU A 96 0.439 4.338 -3.783 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.058 4.222 -4.075 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.356 4.536 -5.543 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.592 2.848 -3.663 1.00 0.00 C ATOM 0 H LEU A 96 0.674 2.100 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 96 0.953 3.090 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.579 4.334 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.786 5.305 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.582 4.965 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.427 4.446 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.033 5.552 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.820 3.834 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.658 2.792 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.066 2.072 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.432 2.701 -2.595 1.00 0.00 H new ATOM 1478 N THR A 97 3.340 4.145 -3.410 1.00 0.00 N ATOM 1479 CA THR A 97 4.729 4.571 -3.383 1.00 0.00 C ATOM 1480 C THR A 97 5.578 3.677 -4.289 1.00 0.00 C ATOM 1481 O THR A 97 5.963 4.083 -5.385 1.00 0.00 O ATOM 1482 CB THR A 97 5.194 4.576 -1.926 1.00 0.00 C ATOM 1483 OG1 THR A 97 4.873 3.270 -1.454 1.00 0.00 O ATOM 1484 CG2 THR A 97 4.357 5.507 -1.047 1.00 0.00 C ATOM 0 H THR A 97 2.842 4.258 -2.527 1.00 0.00 H new ATOM 0 HA THR A 97 4.841 5.581 -3.778 1.00 0.00 H new ATOM 0 HB THR A 97 6.240 4.878 -1.880 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.715 2.676 -2.217 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.729 5.473 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.429 6.527 -1.425 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.316 5.186 -1.065 1.00 0.00 H new