USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=15 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 76 THR OG1 : rot 180:sc= -0.0592 USER MOD Set 1.2: A 79 ASN : amide:sc= 0.0781 K(o=0.019,f=-1.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.99) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 124:sc= 0.579 USER MOD Single : A 41 MET CE :methyl 153:sc= -1.48 (180deg=-4.96!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00806 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 -152:sc= 0 USER MOD Single : A 56 MET CE :methyl 139:sc= -1.42 (180deg=-6.63!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 166:sc= -0.199 (180deg=-0.611) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.69) USER MOD Single : A 68 GLN :FLIP amide:sc= -6.37! C(o=-8.8!,f=-6.4!) USER MOD Single : A 70 GLN : amide:sc= -2.38 X(o=-2.4,f=-2.4!) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.0531 F(o=-1,f=-0.053) 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 -46:sc= -2.96! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N PRO A 15 -2.670 16.366 -7.617 1.00 0.00 N ATOM 191 CA PRO A 15 -3.812 15.521 -7.309 1.00 0.00 C ATOM 192 C PRO A 15 -3.920 14.363 -8.304 1.00 0.00 C ATOM 193 O PRO A 15 -3.679 14.541 -9.497 1.00 0.00 O ATOM 194 CB PRO A 15 -5.012 16.452 -7.348 1.00 0.00 C ATOM 195 CG PRO A 15 -4.564 17.678 -8.127 1.00 0.00 C ATOM 196 CD PRO A 15 -3.049 17.633 -8.236 1.00 0.00 C ATOM 0 HA PRO A 15 -3.730 15.040 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.863 15.972 -7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.328 16.723 -6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.018 17.687 -9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.883 18.589 -7.621 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.725 17.678 -9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.590 18.478 -7.722 1.00 0.00 H new ATOM 204 N VAL A 16 -4.284 13.204 -7.776 1.00 0.00 N ATOM 205 CA VAL A 16 -4.428 12.018 -8.603 1.00 0.00 C ATOM 206 C VAL A 16 -5.351 12.332 -9.782 1.00 0.00 C ATOM 207 O VAL A 16 -5.913 13.423 -9.862 1.00 0.00 O ATOM 208 CB VAL A 16 -4.923 10.845 -7.753 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.781 10.245 -6.930 1.00 0.00 C ATOM 210 CG2 VAL A 16 -6.083 11.271 -6.852 1.00 0.00 C ATOM 0 H VAL A 16 -4.484 13.061 -6.786 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.464 11.721 -9.015 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.291 10.073 -8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.159 9.414 -6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.999 9.886 -7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.370 11.007 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.415 10.419 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.753 12.069 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.909 11.629 -7.467 1.00 0.00 H new ATOM 220 N THR A 17 -5.478 11.356 -10.669 1.00 0.00 N ATOM 221 CA THR A 17 -6.322 11.515 -11.841 1.00 0.00 C ATOM 222 C THR A 17 -7.092 10.223 -12.122 1.00 0.00 C ATOM 223 O THR A 17 -6.834 9.194 -11.501 1.00 0.00 O ATOM 224 CB THR A 17 -5.435 11.959 -13.006 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.323 12.007 -14.120 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.405 10.898 -13.396 1.00 0.00 C ATOM 0 H THR A 17 -5.010 10.452 -10.600 1.00 0.00 H new ATOM 0 HA THR A 17 -7.081 12.281 -11.681 1.00 0.00 H new ATOM 0 HB THR A 17 -4.921 12.882 -12.739 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.830 12.288 -14.919 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.802 11.264 -14.227 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.759 10.688 -12.544 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.919 9.985 -13.695 1.00 0.00 H new ATOM 234 N GLY A 18 -8.024 10.320 -13.060 1.00 0.00 N ATOM 235 CA GLY A 18 -8.834 9.172 -13.431 1.00 0.00 C ATOM 236 C GLY A 18 -7.955 7.959 -13.743 1.00 0.00 C ATOM 237 O GLY A 18 -8.309 6.830 -13.408 1.00 0.00 O ATOM 0 H GLY A 18 -8.236 11.175 -13.574 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.520 8.929 -12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.443 9.418 -14.301 1.00 0.00 H new ATOM 241 N GLU A 19 -6.827 8.234 -14.381 1.00 0.00 N ATOM 242 CA GLU A 19 -5.895 7.179 -14.742 1.00 0.00 C ATOM 243 C GLU A 19 -5.394 6.462 -13.487 1.00 0.00 C ATOM 244 O GLU A 19 -5.337 5.233 -13.452 1.00 0.00 O ATOM 245 CB GLU A 19 -4.728 7.736 -15.559 1.00 0.00 C ATOM 246 CG GLU A 19 -3.843 6.606 -16.091 1.00 0.00 C ATOM 247 CD GLU A 19 -3.763 6.645 -17.619 1.00 0.00 C ATOM 248 OE1 GLU A 19 -4.810 6.382 -18.249 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.657 6.938 -18.121 1.00 0.00 O ATOM 0 H GLU A 19 -6.537 9.172 -14.657 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.419 6.454 -15.365 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.111 8.326 -16.392 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.134 8.408 -14.940 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.842 6.694 -15.669 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.242 5.644 -15.769 1.00 0.00 H new ATOM 256 N GLN A 20 -5.043 7.259 -12.489 1.00 0.00 N ATOM 257 CA GLN A 20 -4.548 6.715 -11.236 1.00 0.00 C ATOM 258 C GLN A 20 -5.709 6.185 -10.392 1.00 0.00 C ATOM 259 O GLN A 20 -5.673 5.047 -9.925 1.00 0.00 O ATOM 260 CB GLN A 20 -3.742 7.762 -10.464 1.00 0.00 C ATOM 261 CG GLN A 20 -2.394 8.023 -11.138 1.00 0.00 C ATOM 262 CD GLN A 20 -1.404 8.656 -10.158 1.00 0.00 C ATOM 263 OE1 GLN A 20 -0.717 7.982 -9.408 1.00 0.00 O ATOM 264 NE2 GLN A 20 -1.370 9.984 -10.206 1.00 0.00 N ATOM 0 H GLN A 20 -5.092 8.277 -12.522 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.880 5.884 -11.462 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.309 8.691 -10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.581 7.421 -9.441 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.986 7.086 -11.518 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.534 8.681 -11.995 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.972 10.486 -10.858 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.742 10.501 -9.591 1.00 0.00 H new ATOM 273 N ILE A 21 -6.712 7.034 -10.223 1.00 0.00 N ATOM 274 CA ILE A 21 -7.881 6.665 -9.444 1.00 0.00 C ATOM 275 C ILE A 21 -8.235 5.203 -9.724 1.00 0.00 C ATOM 276 O ILE A 21 -8.079 4.346 -8.856 1.00 0.00 O ATOM 277 CB ILE A 21 -9.032 7.638 -9.711 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.819 8.957 -8.964 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.380 6.999 -9.372 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.133 9.727 -8.826 1.00 0.00 C ATOM 0 H ILE A 21 -6.739 7.976 -10.612 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.668 6.743 -8.378 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.044 7.869 -10.776 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.405 8.757 -7.976 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.090 9.567 -9.497 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.181 7.711 -9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.525 6.109 -9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.396 6.720 -8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.954 10.660 -8.292 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.532 9.947 -9.816 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.852 9.124 -8.271 1.00 0.00 H new ATOM 292 N GLU A 22 -8.705 4.964 -10.939 1.00 0.00 N ATOM 293 CA GLU A 22 -9.083 3.621 -11.344 1.00 0.00 C ATOM 294 C GLU A 22 -8.067 2.603 -10.821 1.00 0.00 C ATOM 295 O GLU A 22 -8.445 1.568 -10.274 1.00 0.00 O ATOM 296 CB GLU A 22 -9.221 3.525 -12.865 1.00 0.00 C ATOM 297 CG GLU A 22 -7.986 4.097 -13.565 1.00 0.00 C ATOM 298 CD GLU A 22 -7.083 2.977 -14.086 1.00 0.00 C ATOM 299 OE1 GLU A 22 -7.179 1.864 -13.527 1.00 0.00 O ATOM 300 OE2 GLU A 22 -6.317 3.260 -15.032 1.00 0.00 O ATOM 0 H GLU A 22 -8.833 5.678 -11.656 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.056 3.392 -10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.359 2.484 -13.156 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.110 4.067 -13.188 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.296 4.734 -14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.428 4.725 -12.871 1.00 0.00 H new ATOM 307 N VAL A 23 -6.797 2.933 -11.006 1.00 0.00 N ATOM 308 CA VAL A 23 -5.724 2.061 -10.560 1.00 0.00 C ATOM 309 C VAL A 23 -5.783 1.927 -9.037 1.00 0.00 C ATOM 310 O VAL A 23 -5.740 0.818 -8.506 1.00 0.00 O ATOM 311 CB VAL A 23 -4.378 2.588 -11.062 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.247 2.201 -10.107 1.00 0.00 C ATOM 313 CG2 VAL A 23 -4.091 2.094 -12.481 1.00 0.00 C ATOM 0 H VAL A 23 -6.487 3.793 -11.459 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.843 1.062 -10.980 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.434 3.676 -11.091 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.301 2.588 -10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.442 2.624 -9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.191 1.115 -10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.129 2.483 -12.814 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.064 1.004 -12.488 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.875 2.442 -13.153 1.00 0.00 H new ATOM 323 N PHE A 24 -5.880 3.071 -8.377 1.00 0.00 N ATOM 324 CA PHE A 24 -5.945 3.095 -6.925 1.00 0.00 C ATOM 325 C PHE A 24 -7.087 2.216 -6.413 1.00 0.00 C ATOM 326 O PHE A 24 -6.869 1.321 -5.598 1.00 0.00 O ATOM 327 CB PHE A 24 -6.209 4.545 -6.513 1.00 0.00 C ATOM 328 CG PHE A 24 -5.337 5.031 -5.354 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.648 4.682 -4.076 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.251 5.811 -5.600 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.839 5.133 -3.000 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.442 6.262 -4.524 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.753 5.913 -3.246 1.00 0.00 C ATOM 0 H PHE A 24 -5.915 3.989 -8.821 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.014 2.716 -6.504 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.044 5.192 -7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.257 4.647 -6.233 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.510 4.062 -3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.004 6.088 -6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.086 4.856 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.580 6.882 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.137 6.256 -2.427 1.00 0.00 H new ATOM 343 N ALA A 25 -8.281 2.501 -6.913 1.00 0.00 N ATOM 344 CA ALA A 25 -9.458 1.747 -6.516 1.00 0.00 C ATOM 345 C ALA A 25 -9.086 0.271 -6.364 1.00 0.00 C ATOM 346 O ALA A 25 -9.157 -0.281 -5.267 1.00 0.00 O ATOM 347 CB ALA A 25 -10.573 1.965 -7.541 1.00 0.00 C ATOM 0 H ALA A 25 -8.458 3.244 -7.589 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.829 2.094 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.456 1.400 -7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.820 3.025 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.238 1.625 -8.521 1.00 0.00 H new ATOM 353 N ASN A 26 -8.696 -0.326 -7.480 1.00 0.00 N ATOM 354 CA ASN A 26 -8.312 -1.727 -7.485 1.00 0.00 C ATOM 355 C ASN A 26 -7.457 -2.021 -6.251 1.00 0.00 C ATOM 356 O ASN A 26 -7.709 -2.987 -5.532 1.00 0.00 O ATOM 357 CB ASN A 26 -7.485 -2.068 -8.726 1.00 0.00 C ATOM 358 CG ASN A 26 -8.284 -1.811 -10.005 1.00 0.00 C ATOM 359 OD1 ASN A 26 -9.364 -2.340 -10.209 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.694 -0.973 -10.852 1.00 0.00 N ATOM 0 H ASN A 26 -8.638 0.135 -8.388 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.223 -2.326 -7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.574 -1.470 -8.736 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.179 -3.114 -8.688 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.147 -0.738 -11.735 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.789 -0.565 -10.619 1.00 0.00 H new ATOM 367 N LYS A 27 -6.463 -1.171 -6.043 1.00 0.00 N ATOM 368 CA LYS A 27 -5.569 -1.327 -4.908 1.00 0.00 C ATOM 369 C LYS A 27 -6.375 -1.229 -3.612 1.00 0.00 C ATOM 370 O LYS A 27 -6.279 -2.101 -2.749 1.00 0.00 O ATOM 371 CB LYS A 27 -4.416 -0.325 -4.992 1.00 0.00 C ATOM 372 CG LYS A 27 -3.658 -0.470 -6.314 1.00 0.00 C ATOM 373 CD LYS A 27 -2.792 0.761 -6.588 1.00 0.00 C ATOM 374 CE LYS A 27 -1.306 0.394 -6.598 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.922 -0.175 -7.908 1.00 0.00 N ATOM 0 H LYS A 27 -6.257 -0.371 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.105 -2.313 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.804 0.690 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.732 -0.481 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.030 -1.361 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.367 -0.609 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.069 1.199 -7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.978 1.518 -5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.705 1.279 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.098 -0.326 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.089 -0.419 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.483 -1.031 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.102 0.524 -8.656 1.00 0.00 H new ATOM 389 N LEU A 28 -7.152 -0.160 -3.515 1.00 0.00 N ATOM 390 CA LEU A 28 -7.975 0.063 -2.338 1.00 0.00 C ATOM 391 C LEU A 28 -8.827 -1.180 -2.074 1.00 0.00 C ATOM 392 O LEU A 28 -8.703 -1.811 -1.025 1.00 0.00 O ATOM 393 CB LEU A 28 -8.791 1.348 -2.491 1.00 0.00 C ATOM 394 CG LEU A 28 -9.371 1.932 -1.201 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.310 1.985 -0.099 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.003 3.301 -1.455 1.00 0.00 C ATOM 0 H LEU A 28 -7.229 0.561 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.350 0.213 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.158 2.104 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.613 1.153 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.165 1.271 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.747 2.404 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.947 0.978 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.479 2.611 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.408 3.694 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.247 3.985 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.806 3.201 -2.185 1.00 0.00 H new ATOM 408 N GLY A 29 -9.674 -1.494 -3.043 1.00 0.00 N ATOM 409 CA GLY A 29 -10.547 -2.650 -2.929 1.00 0.00 C ATOM 410 C GLY A 29 -11.739 -2.349 -2.018 1.00 0.00 C ATOM 411 O GLY A 29 -12.614 -1.562 -2.375 1.00 0.00 O ATOM 0 H GLY A 29 -9.774 -0.968 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.904 -2.939 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.986 -3.496 -2.532 1.00 0.00 H new ATOM 415 N GLU A 30 -11.734 -2.992 -0.859 1.00 0.00 N ATOM 416 CA GLU A 30 -12.804 -2.803 0.105 1.00 0.00 C ATOM 417 C GLU A 30 -12.321 -1.937 1.271 1.00 0.00 C ATOM 418 O GLU A 30 -13.058 -1.714 2.230 1.00 0.00 O ATOM 419 CB GLU A 30 -13.336 -4.147 0.605 1.00 0.00 C ATOM 420 CG GLU A 30 -12.239 -4.940 1.318 1.00 0.00 C ATOM 421 CD GLU A 30 -12.742 -5.493 2.653 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.661 -6.339 2.607 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.196 -5.058 3.690 1.00 0.00 O ATOM 0 H GLU A 30 -11.006 -3.644 -0.566 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.626 -2.286 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.171 -3.981 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.720 -4.725 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.907 -5.761 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.374 -4.299 1.489 1.00 0.00 H new ATOM 430 N GLN A 31 -11.086 -1.473 1.149 1.00 0.00 N ATOM 431 CA GLN A 31 -10.496 -0.636 2.181 1.00 0.00 C ATOM 432 C GLN A 31 -11.011 0.799 2.059 1.00 0.00 C ATOM 433 O GLN A 31 -10.716 1.642 2.905 1.00 0.00 O ATOM 434 CB GLN A 31 -8.968 -0.678 2.113 1.00 0.00 C ATOM 435 CG GLN A 31 -8.404 -1.702 3.100 1.00 0.00 C ATOM 436 CD GLN A 31 -7.466 -2.685 2.395 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.091 -2.510 1.248 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.111 -3.725 3.144 1.00 0.00 N ATOM 0 H GLN A 31 -10.478 -1.660 0.352 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.795 -1.027 3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.652 -0.931 1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.563 0.309 2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.866 -1.187 3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.222 -2.248 3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.462 -3.810 4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.488 -4.438 2.765 1.00 0.00 H new ATOM 447 N TRP A 32 -11.771 1.034 1.000 1.00 0.00 N ATOM 448 CA TRP A 32 -12.330 2.353 0.756 1.00 0.00 C ATOM 449 C TRP A 32 -13.206 2.723 1.954 1.00 0.00 C ATOM 450 O TRP A 32 -13.462 3.901 2.200 1.00 0.00 O ATOM 451 CB TRP A 32 -13.087 2.391 -0.573 1.00 0.00 C ATOM 452 CG TRP A 32 -14.434 1.665 -0.542 1.00 0.00 C ATOM 453 CD1 TRP A 32 -14.708 0.416 -0.943 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.688 2.200 -0.068 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.041 0.107 -0.762 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.656 1.227 -0.213 1.00 0.00 C ATOM 457 CE3 TRP A 32 -15.994 3.464 0.467 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -17.994 1.415 0.153 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.336 3.637 0.827 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.322 2.667 0.688 1.00 0.00 C ATOM 0 H TRP A 32 -12.013 0.333 0.300 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.538 3.096 0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.252 3.431 -0.856 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.463 1.945 -1.348 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -13.977 -0.264 -1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.492 -0.779 -0.989 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.253 4.240 0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.733 0.637 0.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.625 4.591 1.242 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.337 2.878 0.991 1.00 0.00 H new ATOM 471 N LYS A 33 -13.642 1.696 2.668 1.00 0.00 N ATOM 472 CA LYS A 33 -14.484 1.899 3.835 1.00 0.00 C ATOM 473 C LYS A 33 -13.602 2.191 5.051 1.00 0.00 C ATOM 474 O LYS A 33 -14.100 2.594 6.101 1.00 0.00 O ATOM 475 CB LYS A 33 -15.426 0.709 4.030 1.00 0.00 C ATOM 476 CG LYS A 33 -16.728 1.145 4.706 1.00 0.00 C ATOM 477 CD LYS A 33 -17.939 0.495 4.035 1.00 0.00 C ATOM 478 CE LYS A 33 -19.203 0.692 4.874 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.392 0.806 4.001 1.00 0.00 N ATOM 0 H LYS A 33 -13.428 0.720 2.461 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.129 2.766 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.648 0.254 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.935 -0.053 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.703 0.873 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.821 2.230 4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.085 0.926 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.754 -0.570 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.326 -0.147 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.105 1.590 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.241 0.939 4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.279 1.621 3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.493 -0.062 3.437 1.00 0.00 H new ATOM 493 N ILE A 34 -12.308 1.976 4.868 1.00 0.00 N ATOM 494 CA ILE A 34 -11.352 2.210 5.937 1.00 0.00 C ATOM 495 C ILE A 34 -10.740 3.603 5.771 1.00 0.00 C ATOM 496 O ILE A 34 -10.242 4.184 6.734 1.00 0.00 O ATOM 497 CB ILE A 34 -10.316 1.085 5.986 1.00 0.00 C ATOM 498 CG1 ILE A 34 -10.995 -0.281 6.102 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.305 1.320 7.109 1.00 0.00 C ATOM 500 CD1 ILE A 34 -9.960 -1.406 6.140 1.00 0.00 C ATOM 0 H ILE A 34 -11.899 1.642 3.995 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.852 2.193 6.906 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.762 1.090 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.605 -0.312 7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.668 -0.429 5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.580 0.506 7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.787 2.264 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.826 1.357 8.066 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.469 -2.366 6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.368 -1.387 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.304 -1.268 6.999 1.00 0.00 H new ATOM 512 N LEU A 35 -10.798 4.097 4.543 1.00 0.00 N ATOM 513 CA LEU A 35 -10.256 5.411 4.239 1.00 0.00 C ATOM 514 C LEU A 35 -11.380 6.447 4.291 1.00 0.00 C ATOM 515 O LEU A 35 -11.121 7.649 4.310 1.00 0.00 O ATOM 516 CB LEU A 35 -9.504 5.385 2.907 1.00 0.00 C ATOM 517 CG LEU A 35 -7.977 5.372 2.998 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.348 6.003 1.755 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.499 6.044 4.287 1.00 0.00 C ATOM 0 H LEU A 35 -11.212 3.611 3.747 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.520 5.702 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.822 4.504 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.806 6.256 2.325 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.646 4.334 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.262 5.981 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.650 5.443 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.683 7.036 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.410 6.021 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.841 7.079 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.905 5.511 5.147 1.00 0.00 H new ATOM 531 N ALA A 36 -12.605 5.942 4.313 1.00 0.00 N ATOM 532 CA ALA A 36 -13.770 6.809 4.362 1.00 0.00 C ATOM 533 C ALA A 36 -13.745 7.617 5.661 1.00 0.00 C ATOM 534 O ALA A 36 -13.906 8.836 5.641 1.00 0.00 O ATOM 535 CB ALA A 36 -15.040 5.966 4.224 1.00 0.00 C ATOM 0 H ALA A 36 -12.816 4.944 4.298 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.757 7.517 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.914 6.616 4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.023 5.435 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.089 5.246 5.041 1.00 0.00 H new ATOM 541 N PRO A 37 -13.537 6.886 6.788 1.00 0.00 N ATOM 542 CA PRO A 37 -13.489 7.521 8.094 1.00 0.00 C ATOM 543 C PRO A 37 -12.168 8.267 8.292 1.00 0.00 C ATOM 544 O PRO A 37 -11.981 8.950 9.298 1.00 0.00 O ATOM 545 CB PRO A 37 -13.687 6.390 9.090 1.00 0.00 C ATOM 546 CG PRO A 37 -13.374 5.109 8.333 1.00 0.00 C ATOM 547 CD PRO A 37 -13.342 5.440 6.850 1.00 0.00 C ATOM 0 HA PRO A 37 -14.258 8.283 8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.027 6.507 9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.708 6.379 9.471 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.416 4.701 8.654 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.129 4.350 8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.393 5.149 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.127 4.911 6.309 1.00 0.00 H new ATOM 555 N TYR A 38 -11.285 8.112 7.317 1.00 0.00 N ATOM 556 CA TYR A 38 -9.987 8.762 7.371 1.00 0.00 C ATOM 557 C TYR A 38 -9.868 9.840 6.292 1.00 0.00 C ATOM 558 O TYR A 38 -8.865 10.549 6.226 1.00 0.00 O ATOM 559 CB TYR A 38 -8.954 7.667 7.097 1.00 0.00 C ATOM 560 CG TYR A 38 -8.479 6.931 8.351 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.240 5.909 8.882 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.290 7.290 8.953 1.00 0.00 C ATOM 563 CE1 TYR A 38 -8.792 5.217 10.063 1.00 0.00 C ATOM 564 CE2 TYR A 38 -6.842 6.598 10.133 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.616 5.595 10.630 1.00 0.00 C ATOM 566 OH TYR A 38 -7.193 4.941 11.745 1.00 0.00 O ATOM 0 H TYR A 38 -11.443 7.545 6.484 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.839 9.243 8.338 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.382 6.943 6.404 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.091 8.112 6.601 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.171 5.628 8.412 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.695 8.091 8.538 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.378 4.415 10.489 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.913 6.869 10.613 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.297 4.575 11.590 1.00 0.00 H new ATOM 576 N LEU A 39 -10.906 9.930 5.474 1.00 0.00 N ATOM 577 CA LEU A 39 -10.931 10.910 4.401 1.00 0.00 C ATOM 578 C LEU A 39 -11.854 12.066 4.793 1.00 0.00 C ATOM 579 O LEU A 39 -11.952 13.058 4.073 1.00 0.00 O ATOM 580 CB LEU A 39 -11.307 10.244 3.076 1.00 0.00 C ATOM 581 CG LEU A 39 -10.140 9.771 2.207 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.074 9.074 3.054 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.633 8.884 1.062 1.00 0.00 C ATOM 0 H LEU A 39 -11.736 9.340 5.532 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.938 11.333 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.944 9.386 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.904 10.947 2.496 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.672 10.647 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.256 8.747 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.693 9.768 3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.513 8.209 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.784 8.562 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.140 8.010 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.327 9.447 0.438 1.00 0.00 H new ATOM 595 N GLU A 40 -12.507 11.899 5.934 1.00 0.00 N ATOM 596 CA GLU A 40 -13.418 12.916 6.430 1.00 0.00 C ATOM 597 C GLU A 40 -14.621 13.053 5.494 1.00 0.00 C ATOM 598 O GLU A 40 -14.967 14.158 5.080 1.00 0.00 O ATOM 599 CB GLU A 40 -12.702 14.257 6.602 1.00 0.00 C ATOM 600 CG GLU A 40 -11.401 14.086 7.389 1.00 0.00 C ATOM 601 CD GLU A 40 -11.676 14.003 8.892 1.00 0.00 C ATOM 602 OE1 GLU A 40 -11.714 15.082 9.522 1.00 0.00 O ATOM 603 OE2 GLU A 40 -11.842 12.863 9.376 1.00 0.00 O ATOM 0 H GLU A 40 -12.423 11.075 6.529 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.779 12.606 7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.486 14.686 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.356 14.959 7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.888 13.182 7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.735 14.924 7.183 1.00 0.00 H new ATOM 610 N MET A 41 -15.225 11.914 5.188 1.00 0.00 N ATOM 611 CA MET A 41 -16.381 11.893 4.309 1.00 0.00 C ATOM 612 C MET A 41 -17.681 11.985 5.110 1.00 0.00 C ATOM 613 O MET A 41 -17.653 12.116 6.333 1.00 0.00 O ATOM 614 CB MET A 41 -16.377 10.600 3.490 1.00 0.00 C ATOM 615 CG MET A 41 -15.075 10.456 2.700 1.00 0.00 C ATOM 616 SD MET A 41 -14.871 11.846 1.600 1.00 0.00 S ATOM 617 CE MET A 41 -15.262 11.068 0.041 1.00 0.00 C ATOM 0 H MET A 41 -14.935 10.999 5.533 1.00 0.00 H new ATOM 0 HA MET A 41 -16.324 12.755 3.644 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.500 9.744 4.154 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.225 10.597 2.805 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.229 10.397 3.385 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.088 9.528 2.128 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.649 11.815 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.362 10.618 -0.377 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.014 10.295 0.199 1.00 0.00 H new ATOM 627 N LYS A 42 -18.790 11.914 4.389 1.00 0.00 N ATOM 628 CA LYS A 42 -20.098 11.988 5.018 1.00 0.00 C ATOM 629 C LYS A 42 -20.706 10.585 5.087 1.00 0.00 C ATOM 630 O LYS A 42 -20.710 9.857 4.096 1.00 0.00 O ATOM 631 CB LYS A 42 -20.983 13.006 4.296 1.00 0.00 C ATOM 632 CG LYS A 42 -20.279 14.361 4.184 1.00 0.00 C ATOM 633 CD LYS A 42 -19.338 14.391 2.978 1.00 0.00 C ATOM 634 CE LYS A 42 -19.674 15.559 2.049 1.00 0.00 C ATOM 635 NZ LYS A 42 -19.084 15.342 0.709 1.00 0.00 N ATOM 0 H LYS A 42 -18.810 11.806 3.375 1.00 0.00 H new ATOM 0 HA LYS A 42 -20.008 12.348 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.231 12.637 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.923 13.124 4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -21.021 15.154 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -19.715 14.558 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.306 14.478 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.414 13.452 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -20.756 15.664 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.296 16.489 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.322 16.144 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.050 15.264 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.465 14.465 0.300 1.00 0.00 H new ATOM 649 N ASP A 43 -21.205 10.249 6.268 1.00 0.00 N ATOM 650 CA ASP A 43 -21.814 8.947 6.479 1.00 0.00 C ATOM 651 C ASP A 43 -22.691 8.597 5.275 1.00 0.00 C ATOM 652 O ASP A 43 -22.661 7.468 4.788 1.00 0.00 O ATOM 653 CB ASP A 43 -22.702 8.950 7.725 1.00 0.00 C ATOM 654 CG ASP A 43 -22.125 8.210 8.933 1.00 0.00 C ATOM 655 OD1 ASP A 43 -20.912 7.912 8.889 1.00 0.00 O ATOM 656 OD2 ASP A 43 -22.909 7.958 9.873 1.00 0.00 O ATOM 0 H ASP A 43 -21.200 10.856 7.088 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.014 8.218 6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -22.898 9.984 8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.663 8.503 7.469 1.00 0.00 H new ATOM 661 N SER A 44 -23.450 9.587 4.829 1.00 0.00 N ATOM 662 CA SER A 44 -24.334 9.397 3.691 1.00 0.00 C ATOM 663 C SER A 44 -23.533 8.905 2.483 1.00 0.00 C ATOM 664 O SER A 44 -23.887 7.902 1.866 1.00 0.00 O ATOM 665 CB SER A 44 -25.073 10.692 3.346 1.00 0.00 C ATOM 666 OG SER A 44 -24.178 11.787 3.172 1.00 0.00 O ATOM 0 H SER A 44 -23.471 10.523 5.235 1.00 0.00 H new ATOM 0 HA SER A 44 -25.078 8.646 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.651 10.548 2.433 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.783 10.927 4.139 1.00 0.00 H new ATOM 0 HG SER A 44 -24.688 12.594 2.951 1.00 0.00 H new ATOM 672 N GLU A 45 -22.469 9.635 2.182 1.00 0.00 N ATOM 673 CA GLU A 45 -21.616 9.286 1.059 1.00 0.00 C ATOM 674 C GLU A 45 -21.242 7.803 1.117 1.00 0.00 C ATOM 675 O GLU A 45 -21.523 7.052 0.185 1.00 0.00 O ATOM 676 CB GLU A 45 -20.364 10.165 1.027 1.00 0.00 C ATOM 677 CG GLU A 45 -20.537 11.330 0.050 1.00 0.00 C ATOM 678 CD GLU A 45 -19.427 11.331 -1.003 1.00 0.00 C ATOM 679 OE1 GLU A 45 -18.305 10.910 -0.646 1.00 0.00 O ATOM 680 OE2 GLU A 45 -19.725 11.752 -2.142 1.00 0.00 O ATOM 0 H GLU A 45 -22.178 10.467 2.696 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.170 9.466 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.160 10.551 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.502 9.566 0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.508 11.257 -0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.525 12.273 0.597 1.00 0.00 H new ATOM 687 N ILE A 46 -20.615 7.427 2.222 1.00 0.00 N ATOM 688 CA ILE A 46 -20.201 6.047 2.414 1.00 0.00 C ATOM 689 C ILE A 46 -21.300 5.113 1.904 1.00 0.00 C ATOM 690 O ILE A 46 -21.038 4.221 1.100 1.00 0.00 O ATOM 691 CB ILE A 46 -19.814 5.802 3.874 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.602 6.649 4.269 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.583 4.313 4.138 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.288 6.496 5.759 1.00 0.00 C ATOM 0 H ILE A 46 -20.384 8.053 2.993 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.305 5.834 1.831 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.646 6.115 4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.736 6.349 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.796 7.697 4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.309 4.167 5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.496 3.759 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.778 3.951 3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.423 7.108 6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.147 6.820 6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.070 5.451 5.980 1.00 0.00 H new ATOM 706 N ARG A 47 -22.508 5.351 2.394 1.00 0.00 N ATOM 707 CA ARG A 47 -23.648 4.542 1.998 1.00 0.00 C ATOM 708 C ARG A 47 -23.976 4.773 0.521 1.00 0.00 C ATOM 709 O ARG A 47 -24.098 3.820 -0.247 1.00 0.00 O ATOM 710 CB ARG A 47 -24.879 4.874 2.844 1.00 0.00 C ATOM 711 CG ARG A 47 -24.836 4.139 4.186 1.00 0.00 C ATOM 712 CD ARG A 47 -24.262 5.037 5.284 1.00 0.00 C ATOM 713 NE ARG A 47 -24.298 4.331 6.584 1.00 0.00 N ATOM 714 CZ ARG A 47 -25.372 4.282 7.384 1.00 0.00 C ATOM 715 NH1 ARG A 47 -26.505 4.898 7.021 1.00 0.00 N ATOM 716 NH2 ARG A 47 -25.312 3.618 8.546 1.00 0.00 N ATOM 0 H ARG A 47 -22.722 6.092 3.061 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.383 3.496 2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.928 5.949 3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.783 4.596 2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -25.841 3.818 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.228 3.239 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -23.237 5.314 5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -24.836 5.961 5.347 1.00 0.00 H new ATOM 0 HE ARG A 47 -23.452 3.851 6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -26.550 5.404 6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -27.323 4.861 7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -24.449 3.150 8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -26.129 3.581 9.155 1.00 0.00 H new ATOM 730 N GLN A 48 -24.108 6.043 0.169 1.00 0.00 N ATOM 731 CA GLN A 48 -24.419 6.411 -1.202 1.00 0.00 C ATOM 732 C GLN A 48 -23.608 5.556 -2.178 1.00 0.00 C ATOM 733 O GLN A 48 -24.176 4.838 -2.999 1.00 0.00 O ATOM 734 CB GLN A 48 -24.169 7.902 -1.440 1.00 0.00 C ATOM 735 CG GLN A 48 -25.137 8.758 -0.622 1.00 0.00 C ATOM 736 CD GLN A 48 -26.344 9.178 -1.464 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.317 10.161 -2.186 1.00 0.00 O ATOM 738 NE2 GLN A 48 -27.399 8.380 -1.332 1.00 0.00 N ATOM 0 H GLN A 48 -24.005 6.830 0.809 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.478 6.222 -1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.142 8.150 -1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.284 8.129 -2.500 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.475 8.198 0.250 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.621 9.644 -0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.353 7.573 -0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -28.254 8.575 -1.853 1.00 0.00 H new ATOM 747 N ILE A 49 -22.293 5.662 -2.056 1.00 0.00 N ATOM 748 CA ILE A 49 -21.399 4.908 -2.917 1.00 0.00 C ATOM 749 C ILE A 49 -21.881 3.458 -3.001 1.00 0.00 C ATOM 750 O ILE A 49 -22.424 3.039 -4.022 1.00 0.00 O ATOM 751 CB ILE A 49 -19.951 5.048 -2.441 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.448 6.480 -2.630 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.046 4.026 -3.131 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.482 6.875 -1.511 1.00 0.00 C ATOM 0 H ILE A 49 -21.825 6.259 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.417 5.310 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.920 4.835 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -18.948 6.569 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.294 7.167 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.023 4.147 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.393 3.019 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.076 4.183 -4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.140 7.898 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.992 6.808 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.625 6.201 -1.515 1.00 0.00 H new ATOM 766 N GLU A 50 -21.665 2.732 -1.914 1.00 0.00 N ATOM 767 CA GLU A 50 -22.070 1.339 -1.852 1.00 0.00 C ATOM 768 C GLU A 50 -23.398 1.139 -2.586 1.00 0.00 C ATOM 769 O GLU A 50 -23.488 0.324 -3.503 1.00 0.00 O ATOM 770 CB GLU A 50 -22.168 0.860 -0.402 1.00 0.00 C ATOM 771 CG GLU A 50 -21.162 -0.259 -0.125 1.00 0.00 C ATOM 772 CD GLU A 50 -21.877 -1.568 0.215 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.569 -2.088 -0.687 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.716 -2.019 1.369 1.00 0.00 O ATOM 0 H GLU A 50 -21.214 3.083 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.308 0.737 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -21.984 1.695 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.178 0.504 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.525 -0.404 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.511 0.029 0.700 1.00 0.00 H new ATOM 781 N CYS A 51 -24.396 1.897 -2.154 1.00 0.00 N ATOM 782 CA CYS A 51 -25.714 1.814 -2.759 1.00 0.00 C ATOM 783 C CYS A 51 -25.565 2.017 -4.268 1.00 0.00 C ATOM 784 O CYS A 51 -26.063 1.217 -5.058 1.00 0.00 O ATOM 785 CB CYS A 51 -26.685 2.822 -2.140 1.00 0.00 C ATOM 786 SG CYS A 51 -28.411 2.323 -2.487 1.00 0.00 S ATOM 0 H CYS A 51 -24.318 2.571 -1.392 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.143 0.831 -2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.524 2.880 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.497 3.816 -2.545 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.227 3.184 -1.955 1.00 0.00 H new ATOM 792 N ASP A 52 -24.876 3.092 -4.623 1.00 0.00 N ATOM 793 CA ASP A 52 -24.655 3.410 -6.023 1.00 0.00 C ATOM 794 C ASP A 52 -24.163 2.160 -6.754 1.00 0.00 C ATOM 795 O ASP A 52 -24.823 1.674 -7.672 1.00 0.00 O ATOM 796 CB ASP A 52 -23.590 4.498 -6.179 1.00 0.00 C ATOM 797 CG ASP A 52 -24.030 5.723 -6.983 1.00 0.00 C ATOM 798 OD1 ASP A 52 -25.219 5.751 -7.369 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.169 6.604 -7.192 1.00 0.00 O ATOM 0 H ASP A 52 -24.464 3.753 -3.965 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.597 3.764 -6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.279 4.826 -5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.714 4.062 -6.660 1.00 0.00 H new ATOM 804 N SER A 53 -23.009 1.674 -6.320 1.00 0.00 N ATOM 805 CA SER A 53 -22.422 0.490 -6.923 1.00 0.00 C ATOM 806 C SER A 53 -22.081 -0.534 -5.838 1.00 0.00 C ATOM 807 O SER A 53 -21.503 -0.186 -4.810 1.00 0.00 O ATOM 808 CB SER A 53 -21.172 0.844 -7.730 1.00 0.00 C ATOM 809 OG SER A 53 -21.308 2.091 -8.405 1.00 0.00 O ATOM 0 H SER A 53 -22.465 2.079 -5.558 1.00 0.00 H new ATOM 0 HA SER A 53 -23.152 0.057 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.310 0.884 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.976 0.057 -8.458 1.00 0.00 H new ATOM 0 HG SER A 53 -20.753 2.088 -9.213 1.00 0.00 H new ATOM 815 N GLU A 54 -22.454 -1.778 -6.105 1.00 0.00 N ATOM 816 CA GLU A 54 -22.195 -2.855 -5.165 1.00 0.00 C ATOM 817 C GLU A 54 -20.770 -3.383 -5.343 1.00 0.00 C ATOM 818 O GLU A 54 -20.182 -3.922 -4.406 1.00 0.00 O ATOM 819 CB GLU A 54 -23.220 -3.979 -5.323 1.00 0.00 C ATOM 820 CG GLU A 54 -23.705 -4.475 -3.959 1.00 0.00 C ATOM 821 CD GLU A 54 -25.233 -4.447 -3.877 1.00 0.00 C ATOM 822 OE1 GLU A 54 -25.845 -5.417 -4.373 1.00 0.00 O ATOM 823 OE2 GLU A 54 -25.753 -3.456 -3.321 1.00 0.00 O ATOM 0 H GLU A 54 -22.933 -2.063 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.292 -2.460 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.069 -3.623 -5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.776 -4.806 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.347 -5.490 -3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -23.283 -3.852 -3.170 1.00 0.00 H new ATOM 830 N ASP A 55 -20.255 -3.211 -6.551 1.00 0.00 N ATOM 831 CA ASP A 55 -18.910 -3.663 -6.864 1.00 0.00 C ATOM 832 C ASP A 55 -17.902 -2.864 -6.036 1.00 0.00 C ATOM 833 O ASP A 55 -18.012 -1.643 -5.927 1.00 0.00 O ATOM 834 CB ASP A 55 -18.586 -3.446 -8.343 1.00 0.00 C ATOM 835 CG ASP A 55 -18.674 -4.700 -9.215 1.00 0.00 C ATOM 836 OD1 ASP A 55 -18.663 -5.802 -8.627 1.00 0.00 O ATOM 837 OD2 ASP A 55 -18.750 -4.527 -10.451 1.00 0.00 O ATOM 0 H ASP A 55 -20.745 -2.764 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.850 -4.727 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -19.268 -2.695 -8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.579 -3.036 -8.423 1.00 0.00 H new ATOM 842 N MET A 56 -16.943 -3.584 -5.473 1.00 0.00 N ATOM 843 CA MET A 56 -15.917 -2.957 -4.658 1.00 0.00 C ATOM 844 C MET A 56 -15.081 -1.979 -5.486 1.00 0.00 C ATOM 845 O MET A 56 -14.881 -0.833 -5.086 1.00 0.00 O ATOM 846 CB MET A 56 -15.005 -4.034 -4.066 1.00 0.00 C ATOM 847 CG MET A 56 -15.116 -4.068 -2.540 1.00 0.00 C ATOM 848 SD MET A 56 -16.101 -5.466 -2.031 1.00 0.00 S ATOM 849 CE MET A 56 -16.243 -5.126 -0.284 1.00 0.00 C ATOM 0 H MET A 56 -16.855 -4.596 -5.565 1.00 0.00 H new ATOM 0 HA MET A 56 -16.405 -2.402 -3.857 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.273 -5.008 -4.476 1.00 0.00 H new ATOM 0 HB3 MET A 56 -13.972 -3.840 -4.355 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.122 -4.132 -2.096 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.568 -3.144 -2.179 1.00 0.00 H new ATOM 0 HE1 MET A 56 -17.258 -5.346 0.048 1.00 0.00 H new ATOM 0 HE2 MET A 56 -15.538 -5.749 0.266 1.00 0.00 H new ATOM 0 HE3 MET A 56 -16.020 -4.075 -0.098 1.00 0.00 H new ATOM 859 N LYS A 57 -14.614 -2.467 -6.627 1.00 0.00 N ATOM 860 CA LYS A 57 -13.805 -1.651 -7.515 1.00 0.00 C ATOM 861 C LYS A 57 -14.528 -0.332 -7.790 1.00 0.00 C ATOM 862 O LYS A 57 -13.928 0.739 -7.709 1.00 0.00 O ATOM 863 CB LYS A 57 -13.446 -2.431 -8.781 1.00 0.00 C ATOM 864 CG LYS A 57 -12.382 -3.492 -8.489 1.00 0.00 C ATOM 865 CD LYS A 57 -12.114 -4.353 -9.725 1.00 0.00 C ATOM 866 CE LYS A 57 -12.061 -5.837 -9.357 1.00 0.00 C ATOM 867 NZ LYS A 57 -11.558 -6.636 -10.497 1.00 0.00 N ATOM 0 H LYS A 57 -14.781 -3.418 -6.956 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.855 -1.401 -7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.339 -2.908 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.080 -1.744 -9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.458 -3.008 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.711 -4.125 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.896 -4.186 -10.466 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.171 -4.054 -10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.414 -5.980 -8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.055 -6.183 -9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.528 -7.641 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.191 -6.513 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.601 -6.316 -10.750 1.00 0.00 H new ATOM 881 N MET A 58 -15.809 -0.451 -8.109 1.00 0.00 N ATOM 882 CA MET A 58 -16.621 0.719 -8.396 1.00 0.00 C ATOM 883 C MET A 58 -16.657 1.669 -7.198 1.00 0.00 C ATOM 884 O MET A 58 -16.321 2.846 -7.323 1.00 0.00 O ATOM 885 CB MET A 58 -18.045 0.280 -8.742 1.00 0.00 C ATOM 886 CG MET A 58 -18.146 -0.148 -10.208 1.00 0.00 C ATOM 887 SD MET A 58 -18.962 1.123 -11.160 1.00 0.00 S ATOM 888 CE MET A 58 -17.639 2.316 -11.282 1.00 0.00 C ATOM 0 H MET A 58 -16.304 -1.340 -8.175 1.00 0.00 H new ATOM 0 HA MET A 58 -16.178 1.246 -9.241 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.341 -0.547 -8.097 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.739 1.099 -8.550 1.00 0.00 H new ATOM 0 HG2 MET A 58 -17.150 -0.333 -10.611 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.700 -1.084 -10.285 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.885 3.055 -12.045 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.509 2.815 -10.322 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.714 1.807 -11.554 1.00 0.00 H new ATOM 898 N ARG A 59 -17.067 1.123 -6.062 1.00 0.00 N ATOM 899 CA ARG A 59 -17.151 1.907 -4.842 1.00 0.00 C ATOM 900 C ARG A 59 -15.808 2.580 -4.550 1.00 0.00 C ATOM 901 O ARG A 59 -15.694 3.803 -4.620 1.00 0.00 O ATOM 902 CB ARG A 59 -17.544 1.032 -3.650 1.00 0.00 C ATOM 903 CG ARG A 59 -18.889 0.345 -3.895 1.00 0.00 C ATOM 904 CD ARG A 59 -18.941 -1.021 -3.208 1.00 0.00 C ATOM 905 NE ARG A 59 -18.448 -0.907 -1.817 1.00 0.00 N ATOM 906 CZ ARG A 59 -18.572 -1.871 -0.895 1.00 0.00 C ATOM 907 NH1 ARG A 59 -19.172 -3.027 -1.210 1.00 0.00 N ATOM 908 NH2 ARG A 59 -18.095 -1.679 0.343 1.00 0.00 N ATOM 0 H ARG A 59 -17.345 0.147 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.919 2.667 -4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.774 0.280 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.602 1.643 -2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.696 0.975 -3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.049 0.223 -4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -19.963 -1.400 -3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.334 -1.738 -3.760 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.985 -0.040 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.535 -3.173 -2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.266 -3.761 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.638 -0.799 0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.189 -2.413 1.045 1.00 0.00 H new ATOM 922 N ALA A 60 -14.825 1.752 -4.228 1.00 0.00 N ATOM 923 CA ALA A 60 -13.494 2.252 -3.926 1.00 0.00 C ATOM 924 C ALA A 60 -13.156 3.399 -4.880 1.00 0.00 C ATOM 925 O ALA A 60 -12.581 4.405 -4.468 1.00 0.00 O ATOM 926 CB ALA A 60 -12.486 1.105 -4.012 1.00 0.00 C ATOM 0 H ALA A 60 -14.923 0.738 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.453 2.646 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.488 1.480 -3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.754 0.330 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.497 0.686 -5.018 1.00 0.00 H new ATOM 932 N LYS A 61 -13.526 3.209 -6.138 1.00 0.00 N ATOM 933 CA LYS A 61 -13.269 4.215 -7.154 1.00 0.00 C ATOM 934 C LYS A 61 -14.186 5.417 -6.919 1.00 0.00 C ATOM 935 O LYS A 61 -13.722 6.556 -6.871 1.00 0.00 O ATOM 936 CB LYS A 61 -13.397 3.609 -8.553 1.00 0.00 C ATOM 937 CG LYS A 61 -12.981 4.616 -9.627 1.00 0.00 C ATOM 938 CD LYS A 61 -13.699 4.335 -10.949 1.00 0.00 C ATOM 939 CE LYS A 61 -13.183 5.253 -12.059 1.00 0.00 C ATOM 940 NZ LYS A 61 -13.596 4.744 -13.386 1.00 0.00 N ATOM 0 H LYS A 61 -14.002 2.373 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.243 4.576 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.775 2.717 -8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.426 3.294 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.212 5.627 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.902 4.568 -9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.549 3.294 -11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.772 4.479 -10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.569 6.262 -11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.096 5.318 -12.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.238 5.378 -14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.207 3.790 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.634 4.705 -13.435 1.00 0.00 H new ATOM 954 N GLN A 62 -15.470 5.123 -6.778 1.00 0.00 N ATOM 955 CA GLN A 62 -16.456 6.166 -6.549 1.00 0.00 C ATOM 956 C GLN A 62 -15.991 7.099 -5.429 1.00 0.00 C ATOM 957 O GLN A 62 -16.195 8.310 -5.500 1.00 0.00 O ATOM 958 CB GLN A 62 -17.825 5.565 -6.228 1.00 0.00 C ATOM 959 CG GLN A 62 -18.726 5.561 -7.465 1.00 0.00 C ATOM 960 CD GLN A 62 -18.943 6.982 -7.990 1.00 0.00 C ATOM 961 OE1 GLN A 62 -18.385 7.392 -8.994 1.00 0.00 O ATOM 962 NE2 GLN A 62 -19.782 7.707 -7.256 1.00 0.00 N ATOM 0 H GLN A 62 -15.851 4.178 -6.818 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.558 6.750 -7.464 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.702 4.546 -5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.299 6.137 -5.430 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.276 4.946 -8.245 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.687 5.110 -7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.215 7.301 -6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -19.993 8.669 -7.523 1.00 0.00 H new ATOM 971 N LEU A 63 -15.374 6.500 -4.421 1.00 0.00 N ATOM 972 CA LEU A 63 -14.878 7.263 -3.288 1.00 0.00 C ATOM 973 C LEU A 63 -13.775 8.211 -3.760 1.00 0.00 C ATOM 974 O LEU A 63 -13.915 9.430 -3.664 1.00 0.00 O ATOM 975 CB LEU A 63 -14.442 6.325 -2.161 1.00 0.00 C ATOM 976 CG LEU A 63 -13.648 6.968 -1.022 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.551 7.841 -0.148 1.00 0.00 C ATOM 978 CD2 LEU A 63 -12.907 5.909 -0.203 1.00 0.00 C ATOM 0 H LEU A 63 -15.206 5.495 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.672 7.881 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.332 5.859 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.838 5.527 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.894 7.622 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.962 8.286 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.992 8.631 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.344 7.229 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.351 6.393 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.626 5.210 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.215 5.368 -0.849 1.00 0.00 H new ATOM 990 N LEU A 64 -12.702 7.617 -4.262 1.00 0.00 N ATOM 991 CA LEU A 64 -11.575 8.394 -4.749 1.00 0.00 C ATOM 992 C LEU A 64 -12.094 9.617 -5.507 1.00 0.00 C ATOM 993 O LEU A 64 -11.595 10.726 -5.319 1.00 0.00 O ATOM 994 CB LEU A 64 -10.634 7.513 -5.574 1.00 0.00 C ATOM 995 CG LEU A 64 -9.657 6.646 -4.778 1.00 0.00 C ATOM 996 CD1 LEU A 64 -9.983 6.683 -3.284 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.624 5.216 -5.322 1.00 0.00 C ATOM 0 H LEU A 64 -12.589 6.606 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.979 8.765 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.239 6.860 -6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.059 8.155 -6.241 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.656 7.060 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.274 6.058 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.914 7.709 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.994 6.308 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.922 4.621 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.619 4.777 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.308 5.231 -6.365 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.090 9.375 -6.347 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.682 10.443 -7.134 1.00 0.00 C ATOM 1011 C VAL A 65 -14.218 11.525 -6.195 1.00 0.00 C ATOM 1012 O VAL A 65 -13.788 12.676 -6.258 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.754 9.874 -8.065 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.243 10.937 -9.052 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.240 8.636 -8.802 1.00 0.00 C ATOM 0 H VAL A 65 -13.502 8.454 -6.500 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.931 10.909 -7.772 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.603 9.570 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -16.005 10.507 -9.702 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.668 11.776 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.405 11.286 -9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -15.022 8.252 -9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.367 8.903 -9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.964 7.870 -8.078 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.149 11.118 -5.345 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.749 12.038 -4.394 1.00 0.00 C ATOM 1027 C ALA A 66 -14.647 12.678 -3.546 1.00 0.00 C ATOM 1028 O ALA A 66 -14.677 13.880 -3.288 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.780 11.294 -3.544 1.00 0.00 C ATOM 0 H ALA A 66 -15.503 10.163 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.273 12.840 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.230 11.985 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.556 10.883 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.290 10.483 -3.005 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.701 11.846 -3.137 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.592 12.315 -2.323 1.00 0.00 C ATOM 1037 C TRP A 67 -11.754 13.272 -3.174 1.00 0.00 C ATOM 1038 O TRP A 67 -11.018 14.100 -2.639 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.781 11.141 -1.771 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.405 11.534 -1.231 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.111 12.086 -0.046 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.140 11.381 -1.909 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.754 12.300 0.089 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.145 11.857 -1.079 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.846 10.858 -3.180 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.790 11.858 -1.430 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.487 10.866 -3.516 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.473 11.342 -2.692 1.00 0.00 C ATOM 0 H TRP A 67 -13.679 10.850 -3.354 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.956 12.853 -1.448 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.350 10.663 -0.973 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.652 10.399 -2.559 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.843 12.332 0.708 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.285 12.708 0.897 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.608 10.480 -3.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.030 12.237 -0.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.206 10.475 -4.483 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.446 11.314 -3.024 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.894 13.127 -4.483 1.00 0.00 N ATOM 1060 CA GLN A 68 -11.160 13.969 -5.412 1.00 0.00 C ATOM 1061 C GLN A 68 -11.998 15.188 -5.800 1.00 0.00 C ATOM 1062 O GLN A 68 -11.469 16.170 -6.319 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.737 13.177 -6.652 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.878 14.035 -7.583 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.185 13.172 -8.640 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -8.350 12.268 -8.136 1.00 0.00 O flip ATOM 1067 NE2 GLN A 68 -9.395 13.318 -9.833 1.00 0.00 N flip ATOM 0 H GLN A 68 -12.505 12.439 -4.923 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.254 14.319 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.178 12.291 -6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.622 12.829 -7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.501 14.784 -8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.130 14.573 -7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.049 14.032 -10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.916 12.726 -10.511 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.292 15.087 -5.533 1.00 0.00 N ATOM 1077 CA ASP A 69 -14.208 16.170 -5.848 1.00 0.00 C ATOM 1078 C ASP A 69 -14.293 17.123 -4.654 1.00 0.00 C ATOM 1079 O ASP A 69 -14.361 18.339 -4.830 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.615 15.637 -6.128 1.00 0.00 C ATOM 1081 CG ASP A 69 -16.494 16.552 -6.983 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -16.831 17.646 -6.481 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -16.810 16.136 -8.119 1.00 0.00 O ATOM 0 H ASP A 69 -13.728 14.272 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.833 16.682 -6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.529 14.671 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.117 15.461 -5.176 1.00 0.00 H new ATOM 1088 N GLN A 70 -14.285 16.536 -3.467 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.361 17.318 -2.245 1.00 0.00 C ATOM 1090 C GLN A 70 -13.032 18.033 -1.989 1.00 0.00 C ATOM 1091 O GLN A 70 -13.013 19.225 -1.685 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.748 16.439 -1.054 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.529 15.699 -0.499 1.00 0.00 C ATOM 1094 CD GLN A 70 -13.922 14.794 0.670 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.088 14.574 0.954 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -12.887 14.284 1.331 1.00 0.00 N ATOM 0 H GLN A 70 -14.227 15.528 -3.325 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.140 18.071 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.191 17.055 -0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.507 15.719 -1.360 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.071 15.102 -1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.780 16.420 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.935 14.509 1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.045 13.668 2.128 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.954 17.275 -2.122 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.624 17.821 -1.910 1.00 0.00 C ATOM 1107 C GLU A 71 -10.215 18.698 -3.095 1.00 0.00 C ATOM 1108 O GLU A 71 -9.464 19.658 -2.931 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.604 16.705 -1.676 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.750 16.113 -0.272 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.990 16.952 0.758 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -9.454 18.082 1.022 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -7.964 16.443 1.257 1.00 0.00 O ATOM 0 H GLU A 71 -11.974 16.287 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.646 18.442 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.740 15.921 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.595 17.097 -1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.805 16.066 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.373 15.090 -0.263 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.727 18.337 -4.262 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.425 19.080 -5.474 1.00 0.00 C ATOM 1122 C GLY A 72 -9.014 18.762 -5.973 1.00 0.00 C ATOM 1123 O GLY A 72 -8.826 17.845 -6.771 1.00 0.00 O ATOM 0 H GLY A 72 -11.349 17.540 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.153 18.833 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.515 20.149 -5.282 1.00 0.00 H new ATOM 1127 N VAL A 73 -8.059 19.538 -5.483 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.670 19.351 -5.870 1.00 0.00 C ATOM 1129 C VAL A 73 -5.883 18.803 -4.678 1.00 0.00 C ATOM 1130 O VAL A 73 -4.806 18.234 -4.850 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.097 20.662 -6.412 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.051 21.300 -7.425 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.777 21.633 -5.274 1.00 0.00 C ATOM 0 H VAL A 73 -8.219 20.298 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.593 18.620 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.165 20.432 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.620 22.230 -7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.207 20.616 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.006 21.509 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.371 22.557 -5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.688 21.854 -4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.044 21.181 -4.606 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.451 18.993 -3.496 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.816 18.524 -2.276 1.00 0.00 C ATOM 1145 C HIS A 74 -5.777 16.995 -2.273 1.00 0.00 C ATOM 1146 O HIS A 74 -5.081 16.390 -1.459 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.513 19.103 -1.044 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.688 20.602 -1.084 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -6.167 21.538 -1.929 1.00 0.00 N flip ATOM 1150 CD2 HIS A 74 -7.479 21.289 -0.180 1.00 0.00 C flip ATOM 1151 CE1 HIS A 74 -6.616 22.732 -1.561 1.00 0.00 C flip ATOM 1152 NE2 HIS A 74 -7.429 22.580 -0.476 1.00 0.00 N flip ATOM 0 H HIS A 74 -7.344 19.465 -3.357 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.786 18.878 -2.238 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.492 18.636 -0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.938 18.838 -0.156 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.042 20.848 0.630 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.377 23.669 -2.041 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.913 23.328 0.020 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.535 16.414 -3.191 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.597 14.966 -3.304 1.00 0.00 C ATOM 1162 C ALA A 75 -5.348 14.462 -4.030 1.00 0.00 C ATOM 1163 O ALA A 75 -5.362 14.285 -5.247 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.889 14.564 -4.018 1.00 0.00 C ATOM 0 H ALA A 75 -7.112 16.919 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.614 14.504 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.935 13.478 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.746 14.920 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.907 15.007 -5.014 1.00 0.00 H new ATOM 1170 N THR A 76 -4.298 14.245 -3.253 1.00 0.00 N ATOM 1171 CA THR A 76 -3.043 13.765 -3.806 1.00 0.00 C ATOM 1172 C THR A 76 -2.789 12.319 -3.375 1.00 0.00 C ATOM 1173 O THR A 76 -3.389 11.839 -2.415 1.00 0.00 O ATOM 1174 CB THR A 76 -1.936 14.730 -3.378 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.083 14.820 -1.963 1.00 0.00 O ATOM 1176 CG2 THR A 76 -2.182 16.158 -3.869 1.00 0.00 C ATOM 0 H THR A 76 -4.290 14.393 -2.244 1.00 0.00 H new ATOM 0 HA THR A 76 -3.073 13.746 -4.895 1.00 0.00 H new ATOM 0 HB THR A 76 -0.978 14.375 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.403 15.426 -1.601 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.367 16.802 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.231 16.165 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.124 16.526 -3.461 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.873 11.648 -4.125 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.532 10.267 -3.830 1.00 0.00 C ATOM 1186 C PRO A 77 -0.636 10.176 -2.593 1.00 0.00 C ATOM 1187 O PRO A 77 -0.565 9.130 -1.950 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.858 9.751 -5.091 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.430 10.984 -5.870 1.00 0.00 C ATOM 1190 CD PRO A 77 -1.142 12.185 -5.269 1.00 0.00 C ATOM 0 HA PRO A 77 -2.404 9.661 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.001 9.126 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.543 9.137 -5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.651 11.114 -5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.685 10.877 -6.924 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.432 12.953 -4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.817 12.646 -5.989 1.00 0.00 H new ATOM 1198 N GLU A 78 0.025 11.285 -2.297 1.00 0.00 N ATOM 1199 CA GLU A 78 0.913 11.343 -1.149 1.00 0.00 C ATOM 1200 C GLU A 78 0.102 11.458 0.144 1.00 0.00 C ATOM 1201 O GLU A 78 0.435 10.830 1.148 1.00 0.00 O ATOM 1202 CB GLU A 78 1.903 12.502 -1.279 1.00 0.00 C ATOM 1203 CG GLU A 78 2.518 12.853 0.077 1.00 0.00 C ATOM 1204 CD GLU A 78 3.947 13.376 -0.088 1.00 0.00 C ATOM 1205 OE1 GLU A 78 4.838 12.531 -0.318 1.00 0.00 O ATOM 1206 OE2 GLU A 78 4.115 14.610 0.019 1.00 0.00 O ATOM 0 H GLU A 78 -0.037 12.151 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 78 1.489 10.418 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.692 12.234 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.395 13.375 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.906 13.606 0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.521 11.971 0.718 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.947 12.265 0.077 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.808 12.470 1.229 1.00 0.00 C ATOM 1215 C ASN A 79 -2.571 11.178 1.527 1.00 0.00 C ATOM 1216 O ASN A 79 -2.590 10.712 2.665 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.834 13.573 0.961 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.213 14.958 1.158 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.197 15.124 1.812 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -2.880 15.939 0.557 1.00 0.00 N ATOM 0 H ASN A 79 -1.220 12.784 -0.757 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.180 12.759 2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.214 13.482 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.685 13.453 1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.547 16.900 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.725 15.730 0.025 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.181 10.634 0.484 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.943 9.405 0.619 1.00 0.00 C ATOM 1229 C LEU A 80 -3.067 8.336 1.274 1.00 0.00 C ATOM 1230 O LEU A 80 -3.527 7.597 2.143 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.522 8.982 -0.733 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.760 8.084 -0.681 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.936 8.809 -0.023 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.116 7.560 -2.073 1.00 0.00 C ATOM 0 H LEU A 80 -3.163 11.023 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.801 9.559 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.773 9.881 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.744 8.463 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.528 7.218 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.803 8.149 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.666 9.091 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.178 9.704 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.999 6.925 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.322 8.400 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.281 6.981 -2.468 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.819 8.287 0.832 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.873 7.321 1.364 1.00 0.00 C ATOM 1248 C ILE A 81 -0.730 7.532 2.873 1.00 0.00 C ATOM 1249 O ILE A 81 -0.684 6.568 3.637 1.00 0.00 O ATOM 1250 CB ILE A 81 0.453 7.393 0.605 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.336 6.726 -0.767 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.594 6.802 1.435 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.552 7.047 -1.638 1.00 0.00 C ATOM 0 H ILE A 81 -1.441 8.901 0.111 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.242 6.306 1.216 1.00 0.00 H new ATOM 0 HB ILE A 81 0.691 8.443 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.247 5.647 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.572 7.066 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.525 6.866 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.694 7.360 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.377 5.758 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.444 6.561 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.624 8.125 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.456 6.684 -1.149 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.663 8.798 3.257 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.526 9.148 4.661 1.00 0.00 C ATOM 1267 C ASN A 82 -1.702 8.562 5.445 1.00 0.00 C ATOM 1268 O ASN A 82 -1.504 7.865 6.439 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.538 10.665 4.854 1.00 0.00 C ATOM 1270 CG ASN A 82 0.833 11.171 5.311 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.699 11.496 4.516 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.979 11.218 6.631 1.00 0.00 N ATOM 0 H ASN A 82 -0.701 9.594 2.621 1.00 0.00 H new ATOM 0 HA ASN A 82 0.423 8.747 5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.816 11.152 3.919 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.294 10.935 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.858 11.541 7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.212 10.931 7.239 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.900 8.868 4.969 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.108 8.380 5.614 1.00 0.00 C ATOM 1281 C ALA A 83 -4.073 6.852 5.663 1.00 0.00 C ATOM 1282 O ALA A 83 -4.287 6.256 6.718 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.334 8.912 4.869 1.00 0.00 C ATOM 0 H ALA A 83 -3.060 9.447 4.145 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.168 8.741 6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.240 8.546 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.327 10.002 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.310 8.567 3.835 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.803 6.260 4.509 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.737 4.812 4.407 1.00 0.00 C ATOM 1291 C LEU A 84 -2.920 4.260 5.576 1.00 0.00 C ATOM 1292 O LEU A 84 -3.325 3.293 6.220 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.207 4.395 3.034 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.141 4.648 1.849 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.345 4.855 0.559 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.172 3.526 1.713 1.00 0.00 C ATOM 0 H LEU A 84 -3.627 6.757 3.636 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.734 4.379 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.271 4.923 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.972 3.331 3.065 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.692 5.569 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.032 5.033 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.684 5.714 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.750 3.965 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.823 3.731 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.659 2.577 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.770 3.469 2.623 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.783 4.897 5.816 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.905 4.482 6.896 1.00 0.00 C ATOM 1310 C ASN A 85 -1.708 4.396 8.196 1.00 0.00 C ATOM 1311 O ASN A 85 -1.936 3.306 8.718 1.00 0.00 O ATOM 1312 CB ASN A 85 0.227 5.490 7.105 1.00 0.00 C ATOM 1313 CG ASN A 85 1.586 4.860 6.795 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.223 4.250 7.638 1.00 0.00 O ATOM 1315 ND2 ASN A 85 1.994 5.041 5.542 1.00 0.00 N ATOM 0 H ASN A 85 -1.450 5.698 5.280 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.480 3.513 6.632 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.069 6.357 6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.214 5.848 8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.889 4.659 5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.412 5.562 4.886 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.114 5.561 8.681 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.886 5.631 9.909 1.00 0.00 C ATOM 1324 C LYS A 86 -4.109 4.720 9.791 1.00 0.00 C ATOM 1325 O LYS A 86 -4.545 4.129 10.778 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.231 7.084 10.243 1.00 0.00 C ATOM 1327 CG LYS A 86 -3.983 7.748 9.087 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.242 9.227 9.379 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.233 9.392 10.533 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.314 10.810 10.948 1.00 0.00 N ATOM 0 H LYS A 86 -1.922 6.463 8.245 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.297 5.266 10.750 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.841 7.119 11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.317 7.639 10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.404 7.651 8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.930 7.235 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.303 9.722 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.633 9.715 8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.218 9.040 10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.922 8.777 11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.991 10.904 11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.376 11.135 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.632 11.389 10.145 1.00 0.00 H new ATOM 1344 N SER A 87 -4.628 4.634 8.575 1.00 0.00 N ATOM 1345 CA SER A 87 -5.792 3.805 8.314 1.00 0.00 C ATOM 1346 C SER A 87 -5.421 2.326 8.445 1.00 0.00 C ATOM 1347 O SER A 87 -6.291 1.458 8.399 1.00 0.00 O ATOM 1348 CB SER A 87 -6.370 4.086 6.926 1.00 0.00 C ATOM 1349 OG SER A 87 -5.888 3.166 5.951 1.00 0.00 O ATOM 0 H SER A 87 -4.263 5.125 7.759 1.00 0.00 H new ATOM 0 HA SER A 87 -6.557 4.048 9.052 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.458 4.032 6.969 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.113 5.101 6.625 1.00 0.00 H new ATOM 0 HG SER A 87 -4.919 3.061 6.051 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.128 2.085 8.606 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.631 0.727 8.744 1.00 0.00 C ATOM 1357 C GLY A 88 -3.614 0.009 7.393 1.00 0.00 C ATOM 1358 O GLY A 88 -3.683 -1.217 7.336 1.00 0.00 O ATOM 0 H GLY A 88 -3.409 2.808 8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.625 0.745 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.258 0.176 9.445 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.522 0.805 6.337 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.495 0.262 4.990 1.00 0.00 C ATOM 1364 C LEU A 89 -2.069 0.340 4.442 1.00 0.00 C ATOM 1365 O LEU A 89 -1.867 0.659 3.271 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.532 0.962 4.109 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.963 0.428 4.204 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.266 -0.080 5.615 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -6.973 1.481 3.744 1.00 0.00 C ATOM 0 H LEU A 89 -3.465 1.822 6.388 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.777 -0.791 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.543 2.021 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.206 0.889 3.071 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.056 -0.423 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.289 -0.454 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.575 -0.884 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.150 0.736 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.982 1.076 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.888 2.366 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.770 1.752 2.708 1.00 0.00 H new ATOM 1381 N SER A 90 -1.117 0.044 5.314 1.00 0.00 N ATOM 1382 CA SER A 90 0.285 0.077 4.932 1.00 0.00 C ATOM 1383 C SER A 90 0.461 -0.524 3.536 1.00 0.00 C ATOM 1384 O SER A 90 1.268 -0.038 2.745 1.00 0.00 O ATOM 1385 CB SER A 90 1.150 -0.675 5.946 1.00 0.00 C ATOM 1386 OG SER A 90 0.935 -2.082 5.891 1.00 0.00 O ATOM 0 H SER A 90 -1.289 -0.220 6.284 1.00 0.00 H new ATOM 0 HA SER A 90 0.611 1.117 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.202 -0.461 5.755 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.929 -0.313 6.950 1.00 0.00 H new ATOM 0 HG SER A 90 1.506 -2.526 6.552 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.308 -1.571 3.276 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.247 -2.243 1.989 1.00 0.00 C ATOM 1394 C ASP A 91 -0.403 -1.210 0.871 1.00 0.00 C ATOM 1395 O ASP A 91 0.492 -1.046 0.043 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.376 -3.266 1.848 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.191 -4.281 0.718 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -0.018 -4.599 0.427 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -2.228 -4.716 0.171 1.00 0.00 O ATOM 0 H ASP A 91 -0.977 -1.971 3.935 1.00 0.00 H new ATOM 0 HA ASP A 91 0.713 -2.754 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.476 -3.807 2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.312 -2.732 1.687 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.546 -0.539 0.884 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.830 0.474 -0.119 1.00 0.00 C ATOM 1406 C LEU A 92 -0.684 1.487 -0.153 1.00 0.00 C ATOM 1407 O LEU A 92 0.013 1.606 -1.160 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.201 1.105 0.131 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.369 0.506 -0.656 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.665 1.330 -1.910 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.111 -0.966 -0.985 1.00 0.00 C ATOM 0 H LEU A 92 -2.286 -0.677 1.573 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.888 0.024 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.427 1.026 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.138 2.168 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.259 0.544 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.499 0.883 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.924 2.349 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.784 1.346 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.956 -1.367 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.205 -1.051 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.988 -1.529 -0.060 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.525 2.190 0.958 1.00 0.00 N ATOM 1424 CA ALA A 93 0.525 3.189 1.067 1.00 0.00 C ATOM 1425 C ALA A 93 1.786 2.675 0.371 1.00 0.00 C ATOM 1426 O ALA A 93 2.324 3.338 -0.515 1.00 0.00 O ATOM 1427 CB ALA A 93 0.766 3.517 2.542 1.00 0.00 C ATOM 0 H ALA A 93 -1.105 2.088 1.791 1.00 0.00 H new ATOM 0 HA ALA A 93 0.228 4.113 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.553 4.266 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.152 3.905 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.068 2.613 3.071 1.00 0.00 H new ATOM 1433 N GLU A 94 2.222 1.499 0.797 1.00 0.00 N ATOM 1434 CA GLU A 94 3.410 0.889 0.225 1.00 0.00 C ATOM 1435 C GLU A 94 3.207 0.628 -1.269 1.00 0.00 C ATOM 1436 O GLU A 94 4.089 0.910 -2.078 1.00 0.00 O ATOM 1437 CB GLU A 94 3.773 -0.402 0.963 1.00 0.00 C ATOM 1438 CG GLU A 94 4.432 -0.098 2.309 1.00 0.00 C ATOM 1439 CD GLU A 94 4.835 -1.388 3.027 1.00 0.00 C ATOM 1440 OE1 GLU A 94 3.910 -2.110 3.458 1.00 0.00 O ATOM 1441 OE2 GLU A 94 6.058 -1.622 3.128 1.00 0.00 O ATOM 0 H GLU A 94 1.774 0.952 1.532 1.00 0.00 H new ATOM 0 HA GLU A 94 4.243 1.583 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.875 -1.000 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.449 -0.998 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.312 0.526 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.744 0.471 2.934 1.00 0.00 H new ATOM 1448 N SER A 95 2.038 0.092 -1.589 1.00 0.00 N ATOM 1449 CA SER A 95 1.707 -0.210 -2.972 1.00 0.00 C ATOM 1450 C SER A 95 1.909 1.033 -3.841 1.00 0.00 C ATOM 1451 O SER A 95 2.673 1.003 -4.805 1.00 0.00 O ATOM 1452 CB SER A 95 0.269 -0.717 -3.096 1.00 0.00 C ATOM 1453 OG SER A 95 0.185 -2.129 -2.926 1.00 0.00 O ATOM 0 H SER A 95 1.309 -0.141 -0.915 1.00 0.00 H new ATOM 0 HA SER A 95 2.373 -1.000 -3.319 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.355 -0.224 -2.350 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.128 -0.445 -4.074 1.00 0.00 H new ATOM 0 HG SER A 95 -0.749 -2.414 -3.010 1.00 0.00 H new ATOM 1459 N LEU A 96 1.210 2.096 -3.470 1.00 0.00 N ATOM 1460 CA LEU A 96 1.303 3.346 -4.204 1.00 0.00 C ATOM 1461 C LEU A 96 2.773 3.755 -4.322 1.00 0.00 C ATOM 1462 O LEU A 96 3.370 3.636 -5.391 1.00 0.00 O ATOM 1463 CB LEU A 96 0.418 4.414 -3.558 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.088 4.262 -3.783 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.433 4.364 -5.270 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.608 2.964 -3.162 1.00 0.00 C ATOM 0 H LEU A 96 0.577 2.117 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 96 0.924 3.221 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.607 4.414 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.725 5.389 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.593 5.085 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.509 4.253 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.119 5.336 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.917 3.576 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.681 2.881 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.100 2.114 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.414 2.971 -2.089 1.00 0.00 H new ATOM 1478 N THR A 97 3.313 4.229 -3.209 1.00 0.00 N ATOM 1479 CA THR A 97 4.701 4.657 -3.175 1.00 0.00 C ATOM 1480 C THR A 97 5.587 3.655 -3.919 1.00 0.00 C ATOM 1481 O THR A 97 6.421 4.045 -4.734 1.00 0.00 O ATOM 1482 CB THR A 97 5.101 4.849 -1.710 1.00 0.00 C ATOM 1483 OG1 THR A 97 6.249 5.691 -1.771 1.00 0.00 O ATOM 1484 CG2 THR A 97 5.617 3.560 -1.069 1.00 0.00 C ATOM 0 H THR A 97 2.815 4.326 -2.324 1.00 0.00 H new ATOM 0 HA THR A 97 4.834 5.608 -3.691 1.00 0.00 H new ATOM 0 HB THR A 97 4.244 5.216 -1.145 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.574 5.868 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.887 3.753 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.838 2.798 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.494 3.209 -1.612 1.00 0.00 H new