USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 31 CYS SG : rot 25:sc= 0.139 USER MOD Set 1.2: A 52 SER OG : rot 120:sc= 0.72 USER MOD Set 1.3: A 54 SER OG : rot -79:sc= -0.52 USER MOD Set 2.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -2.66 K(o=-2.7,f=-3.3!) USER MOD Single : A 64 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.5) USER MOD Single : A 69 ASN : amide:sc= -7.32! C(o=-7.3!,f=-8.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.12) USER MOD Single : A 78 HIS : no HE2:sc= -0.893 K(o=-0.89,f=-2.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 66:sc= 0.229 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -53:sc= -2.87! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -5.068 -5.230 -13.660 1.00 0.00 N ATOM 188 CA GLU A 16 -3.693 -4.932 -13.299 1.00 0.00 C ATOM 189 C GLU A 16 -3.311 -3.529 -13.773 1.00 0.00 C ATOM 190 O GLU A 16 -2.792 -3.362 -14.876 1.00 0.00 O ATOM 191 CB GLU A 16 -2.737 -5.983 -13.868 1.00 0.00 C ATOM 192 CG GLU A 16 -2.650 -7.201 -12.947 1.00 0.00 C ATOM 193 CD GLU A 16 -2.048 -8.401 -13.681 1.00 0.00 C ATOM 194 OE1 GLU A 16 -1.142 -8.165 -14.508 1.00 0.00 O ATOM 195 OE2 GLU A 16 -2.509 -9.529 -13.399 1.00 0.00 O ATOM 0 HA GLU A 16 -3.609 -4.962 -12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.078 -6.293 -14.856 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.746 -5.547 -13.995 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.041 -6.960 -12.076 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.644 -7.456 -12.580 1.00 0.00 H new ATOM 202 N LYS A 17 -3.583 -2.555 -12.918 1.00 0.00 N ATOM 203 CA LYS A 17 -3.275 -1.171 -13.236 1.00 0.00 C ATOM 204 C LYS A 17 -2.119 -0.695 -12.354 1.00 0.00 C ATOM 205 O LYS A 17 -1.988 -1.127 -11.210 1.00 0.00 O ATOM 206 CB LYS A 17 -4.530 -0.303 -13.126 1.00 0.00 C ATOM 207 CG LYS A 17 -4.888 -0.039 -11.662 1.00 0.00 C ATOM 208 CD LYS A 17 -5.381 1.396 -11.468 1.00 0.00 C ATOM 209 CE LYS A 17 -6.763 1.418 -10.812 1.00 0.00 C ATOM 210 NZ LYS A 17 -7.794 1.835 -11.789 1.00 0.00 N ATOM 0 H LYS A 17 -4.014 -2.697 -12.004 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.945 -1.083 -14.271 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.368 0.644 -13.641 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.364 -0.798 -13.624 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.659 -0.739 -11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.015 -0.216 -11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.672 1.947 -10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.424 1.903 -12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.002 0.429 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.759 2.103 -9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.726 1.845 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.573 2.788 -12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.809 1.166 -12.585 1.00 0.00 H new ATOM 224 N LYS A 18 -1.311 0.190 -12.919 1.00 0.00 N ATOM 225 CA LYS A 18 -0.171 0.730 -12.198 1.00 0.00 C ATOM 226 C LYS A 18 -0.559 2.068 -11.566 1.00 0.00 C ATOM 227 O LYS A 18 -1.084 2.950 -12.244 1.00 0.00 O ATOM 228 CB LYS A 18 1.051 0.814 -13.114 1.00 0.00 C ATOM 229 CG LYS A 18 2.308 1.176 -12.321 1.00 0.00 C ATOM 230 CD LYS A 18 2.944 2.461 -12.856 1.00 0.00 C ATOM 231 CE LYS A 18 4.208 2.153 -13.660 1.00 0.00 C ATOM 232 NZ LYS A 18 4.669 3.360 -14.384 1.00 0.00 N ATOM 0 H LYS A 18 -1.423 0.547 -13.868 1.00 0.00 H new ATOM 0 HA LYS A 18 0.115 0.064 -11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.198 -0.141 -13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.878 1.561 -13.889 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.054 1.303 -11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.027 0.359 -12.379 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.229 2.991 -13.485 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.189 3.123 -12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.994 1.800 -12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.008 1.350 -14.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.528 3.134 -14.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.924 3.680 -15.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.879 4.115 -13.701 1.00 0.00 H new ATOM 246 N VAL A 19 -0.287 2.177 -10.274 1.00 0.00 N ATOM 247 CA VAL A 19 -0.601 3.392 -9.542 1.00 0.00 C ATOM 248 C VAL A 19 0.662 3.906 -8.849 1.00 0.00 C ATOM 249 O VAL A 19 1.587 3.139 -8.588 1.00 0.00 O ATOM 250 CB VAL A 19 -1.755 3.135 -8.570 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.053 2.843 -9.325 1.00 0.00 C ATOM 252 CG2 VAL A 19 -1.414 1.997 -7.605 1.00 0.00 C ATOM 0 H VAL A 19 0.148 1.443 -9.715 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.937 4.173 -10.225 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.906 4.040 -7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.857 2.664 -8.611 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.309 3.697 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.920 1.960 -9.950 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.250 1.834 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.223 1.085 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.525 2.260 -7.031 1.00 0.00 H new ATOM 262 N PHE A 20 0.659 5.201 -8.568 1.00 0.00 N ATOM 263 CA PHE A 20 1.794 5.826 -7.910 1.00 0.00 C ATOM 264 C PHE A 20 1.337 6.683 -6.727 1.00 0.00 C ATOM 265 O PHE A 20 0.698 7.718 -6.915 1.00 0.00 O ATOM 266 CB PHE A 20 2.471 6.726 -8.945 1.00 0.00 C ATOM 267 CG PHE A 20 3.994 6.793 -8.810 1.00 0.00 C ATOM 268 CD1 PHE A 20 4.772 5.862 -9.425 1.00 0.00 C ATOM 269 CD2 PHE A 20 4.569 7.782 -8.075 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.185 5.924 -9.299 1.00 0.00 C ATOM 271 CE2 PHE A 20 5.982 7.844 -7.950 1.00 0.00 C ATOM 272 CZ PHE A 20 6.760 6.913 -8.565 1.00 0.00 C ATOM 0 H PHE A 20 -0.111 5.834 -8.784 1.00 0.00 H new ATOM 0 HA PHE A 20 2.472 5.062 -7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.220 6.367 -9.943 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.064 7.733 -8.857 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.315 5.076 -10.009 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.951 8.520 -7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.803 5.185 -9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.439 8.630 -7.367 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.835 6.960 -8.470 1.00 0.00 H new ATOM 282 N ILE A 21 1.682 6.221 -5.535 1.00 0.00 N ATOM 283 CA ILE A 21 1.315 6.932 -4.322 1.00 0.00 C ATOM 284 C ILE A 21 2.475 7.833 -3.893 1.00 0.00 C ATOM 285 O ILE A 21 3.455 7.359 -3.320 1.00 0.00 O ATOM 286 CB ILE A 21 0.868 5.948 -3.238 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.657 5.924 -3.115 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.546 6.258 -1.902 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.292 5.204 -4.306 1.00 0.00 C ATOM 0 H ILE A 21 2.212 5.363 -5.383 1.00 0.00 H new ATOM 0 HA ILE A 21 0.458 7.580 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 21 1.183 4.947 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.943 5.425 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.037 6.944 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.211 5.544 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.627 6.183 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.284 7.268 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.376 5.201 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.024 5.720 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.929 4.177 -4.346 1.00 0.00 H new ATOM 301 N SER A 22 2.326 9.116 -4.188 1.00 0.00 N ATOM 302 CA SER A 22 3.350 10.087 -3.841 1.00 0.00 C ATOM 303 C SER A 22 3.013 10.745 -2.502 1.00 0.00 C ATOM 304 O SER A 22 2.066 11.525 -2.410 1.00 0.00 O ATOM 305 CB SER A 22 3.494 11.149 -4.933 1.00 0.00 C ATOM 306 OG SER A 22 4.577 12.038 -4.673 1.00 0.00 O ATOM 0 H SER A 22 1.512 9.506 -4.663 1.00 0.00 H new ATOM 0 HA SER A 22 4.302 9.564 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.648 10.661 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.568 11.718 -5.009 1.00 0.00 H new ATOM 0 HG SER A 22 4.637 12.700 -5.393 1.00 0.00 H new ATOM 312 N LEU A 23 3.807 10.407 -1.496 1.00 0.00 N ATOM 313 CA LEU A 23 3.605 10.956 -0.166 1.00 0.00 C ATOM 314 C LEU A 23 4.281 12.326 -0.076 1.00 0.00 C ATOM 315 O LEU A 23 5.308 12.473 0.586 1.00 0.00 O ATOM 316 CB LEU A 23 4.078 9.965 0.900 1.00 0.00 C ATOM 317 CG LEU A 23 3.005 9.043 1.482 1.00 0.00 C ATOM 318 CD1 LEU A 23 3.084 7.648 0.860 1.00 0.00 C ATOM 319 CD2 LEU A 23 3.093 8.996 3.009 1.00 0.00 C ATOM 0 H LEU A 23 4.591 9.760 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 23 2.543 11.111 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.865 9.347 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.527 10.529 1.718 1.00 0.00 H new ATOM 0 HG LEU A 23 2.028 9.453 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.310 7.013 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.935 7.721 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.064 7.215 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.319 8.334 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.073 8.623 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.949 9.998 3.413 1.00 0.00 H new ATOM 415 N GLY A 30 -4.854 7.678 2.075 1.00 0.00 N ATOM 416 CA GLY A 30 -6.146 7.894 2.704 1.00 0.00 C ATOM 417 C GLY A 30 -7.083 6.710 2.454 1.00 0.00 C ATOM 418 O GLY A 30 -8.270 6.898 2.194 1.00 0.00 O ATOM 0 HA2 GLY A 30 -6.013 8.037 3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.596 8.807 2.314 1.00 0.00 H new ATOM 422 N CYS A 31 -6.513 5.517 2.540 1.00 0.00 N ATOM 423 CA CYS A 31 -7.282 4.303 2.326 1.00 0.00 C ATOM 424 C CYS A 31 -6.844 3.268 3.364 1.00 0.00 C ATOM 425 O CYS A 31 -5.663 3.182 3.700 1.00 0.00 O ATOM 426 CB CYS A 31 -7.127 3.780 0.897 1.00 0.00 C ATOM 427 SG CYS A 31 -5.371 3.390 0.560 1.00 0.00 S ATOM 0 H CYS A 31 -5.528 5.365 2.755 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.344 4.515 2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.739 2.889 0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.485 4.526 0.187 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.763 3.126 1.678 1.00 0.00 H new ATOM 433 N SER A 32 -7.817 2.508 3.843 1.00 0.00 N ATOM 434 CA SER A 32 -7.547 1.481 4.835 1.00 0.00 C ATOM 435 C SER A 32 -7.176 0.168 4.143 1.00 0.00 C ATOM 436 O SER A 32 -7.848 -0.253 3.203 1.00 0.00 O ATOM 437 CB SER A 32 -8.751 1.274 5.756 1.00 0.00 C ATOM 438 OG SER A 32 -8.370 1.208 7.127 1.00 0.00 O ATOM 0 H SER A 32 -8.795 2.583 3.562 1.00 0.00 H new ATOM 0 HA SER A 32 -6.708 1.811 5.448 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.459 2.091 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.266 0.354 5.478 1.00 0.00 H new ATOM 0 HG SER A 32 -9.167 1.077 7.682 1.00 0.00 H new ATOM 444 N ILE A 33 -6.108 -0.441 4.634 1.00 0.00 N ATOM 445 CA ILE A 33 -5.639 -1.698 4.074 1.00 0.00 C ATOM 446 C ILE A 33 -5.831 -2.813 5.104 1.00 0.00 C ATOM 447 O ILE A 33 -5.655 -2.594 6.302 1.00 0.00 O ATOM 448 CB ILE A 33 -4.199 -1.560 3.578 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.265 -1.143 4.716 1.00 0.00 C ATOM 450 CG2 ILE A 33 -4.118 -0.600 2.389 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.833 -1.613 4.450 1.00 0.00 C ATOM 0 H ILE A 33 -5.553 -0.088 5.414 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.228 -1.968 3.198 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.864 -2.536 3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.281 -0.059 4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.621 -1.564 5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.083 -0.520 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.734 -0.979 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.479 0.383 2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.190 -1.304 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.817 -2.700 4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.471 -1.171 3.522 1.00 0.00 H new ATOM 463 N SER A 34 -6.188 -3.985 4.601 1.00 0.00 N ATOM 464 CA SER A 34 -6.406 -5.135 5.462 1.00 0.00 C ATOM 465 C SER A 34 -5.788 -6.385 4.832 1.00 0.00 C ATOM 466 O SER A 34 -5.439 -6.382 3.653 1.00 0.00 O ATOM 467 CB SER A 34 -7.897 -5.353 5.724 1.00 0.00 C ATOM 468 OG SER A 34 -8.139 -5.886 7.023 1.00 0.00 O ATOM 0 H SER A 34 -6.332 -4.163 3.607 1.00 0.00 H new ATOM 0 HA SER A 34 -5.922 -4.942 6.419 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.426 -4.406 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.302 -6.031 4.973 1.00 0.00 H new ATOM 0 HG SER A 34 -9.103 -6.009 7.152 1.00 0.00 H new ATOM 474 N SER A 35 -5.673 -7.424 5.646 1.00 0.00 N ATOM 475 CA SER A 35 -5.103 -8.678 5.183 1.00 0.00 C ATOM 476 C SER A 35 -6.215 -9.705 4.958 1.00 0.00 C ATOM 477 O SER A 35 -7.091 -9.872 5.804 1.00 0.00 O ATOM 478 CB SER A 35 -4.076 -9.218 6.180 1.00 0.00 C ATOM 479 OG SER A 35 -2.985 -8.319 6.361 1.00 0.00 O ATOM 0 H SER A 35 -5.965 -7.423 6.623 1.00 0.00 H new ATOM 0 HA SER A 35 -4.590 -8.493 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.561 -9.397 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.700 -10.179 5.829 1.00 0.00 H new ATOM 0 HG SER A 35 -2.352 -8.698 7.006 1.00 0.00 H new ATOM 485 N GLY A 36 -6.142 -10.366 3.812 1.00 0.00 N ATOM 486 CA GLY A 36 -7.131 -11.373 3.465 1.00 0.00 C ATOM 487 C GLY A 36 -6.937 -12.642 4.297 1.00 0.00 C ATOM 488 O GLY A 36 -6.013 -12.724 5.104 1.00 0.00 O ATOM 0 H GLY A 36 -5.414 -10.224 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.133 -10.976 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.054 -11.614 2.405 1.00 0.00 H new ATOM 492 N PRO A 37 -7.848 -13.625 4.066 1.00 0.00 N ATOM 493 CA PRO A 37 -7.787 -14.886 4.785 1.00 0.00 C ATOM 494 C PRO A 37 -6.652 -15.765 4.254 1.00 0.00 C ATOM 495 O PRO A 37 -5.839 -15.315 3.448 1.00 0.00 O ATOM 496 CB PRO A 37 -9.159 -15.512 4.599 1.00 0.00 C ATOM 497 CG PRO A 37 -9.781 -14.806 3.405 1.00 0.00 C ATOM 498 CD PRO A 37 -8.956 -13.562 3.117 1.00 0.00 C ATOM 0 HA PRO A 37 -7.564 -14.756 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.078 -16.584 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.771 -15.383 5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.794 -15.465 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.816 -14.537 3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.596 -13.555 2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.545 -12.655 3.255 1.00 0.00 H new ATOM 506 N ILE A 38 -6.634 -17.002 4.728 1.00 0.00 N ATOM 507 CA ILE A 38 -5.612 -17.948 4.312 1.00 0.00 C ATOM 508 C ILE A 38 -5.896 -18.401 2.878 1.00 0.00 C ATOM 509 O ILE A 38 -4.974 -18.722 2.130 1.00 0.00 O ATOM 510 CB ILE A 38 -5.510 -19.101 5.312 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.526 -20.166 4.823 1.00 0.00 C ATOM 512 CG2 ILE A 38 -6.889 -19.690 5.613 1.00 0.00 C ATOM 513 CD1 ILE A 38 -3.923 -20.937 5.998 1.00 0.00 C ATOM 0 H ILE A 38 -7.311 -17.371 5.396 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.631 -17.472 4.308 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.117 -18.706 6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.037 -20.858 4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.730 -19.694 4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.788 -20.508 6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.530 -18.917 6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.333 -20.066 4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.227 -21.687 5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.392 -20.246 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.719 -21.428 6.558 1.00 0.00 H new ATOM 525 N GLN A 39 -7.177 -18.413 2.538 1.00 0.00 N ATOM 526 CA GLN A 39 -7.594 -18.821 1.208 1.00 0.00 C ATOM 527 C GLN A 39 -7.349 -17.692 0.205 1.00 0.00 C ATOM 528 O GLN A 39 -7.102 -17.947 -0.973 1.00 0.00 O ATOM 529 CB GLN A 39 -9.063 -19.250 1.202 1.00 0.00 C ATOM 530 CG GLN A 39 -9.981 -18.068 1.519 1.00 0.00 C ATOM 531 CD GLN A 39 -11.371 -18.551 1.940 1.00 0.00 C ATOM 532 OE1 GLN A 39 -12.046 -19.277 1.228 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.759 -18.108 3.132 1.00 0.00 N ATOM 0 H GLN A 39 -7.939 -18.147 3.161 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.996 -19.682 0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.321 -19.664 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.217 -20.042 1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.544 -17.467 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.066 -17.424 0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.144 -17.503 3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.672 -18.373 3.502 1.00 0.00 H new ATOM 542 N LYS A 40 -7.425 -16.469 0.708 1.00 0.00 N ATOM 543 CA LYS A 40 -7.214 -15.301 -0.129 1.00 0.00 C ATOM 544 C LYS A 40 -6.357 -14.284 0.628 1.00 0.00 C ATOM 545 O LYS A 40 -6.806 -13.173 0.906 1.00 0.00 O ATOM 546 CB LYS A 40 -8.553 -14.738 -0.611 1.00 0.00 C ATOM 547 CG LYS A 40 -8.361 -13.839 -1.835 1.00 0.00 C ATOM 548 CD LYS A 40 -9.656 -13.101 -2.180 1.00 0.00 C ATOM 549 CE LYS A 40 -9.430 -12.101 -3.316 1.00 0.00 C ATOM 550 NZ LYS A 40 -9.749 -12.720 -4.623 1.00 0.00 N ATOM 0 H LYS A 40 -7.630 -16.262 1.685 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.665 -15.573 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.228 -15.557 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.023 -14.170 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.568 -13.117 -1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.043 -14.441 -2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.422 -13.820 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.027 -12.578 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.053 -11.220 -3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.394 -11.763 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.590 -12.028 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.137 -13.547 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.745 -13.021 -4.631 1.00 0.00 H new ATOM 564 N PRO A 41 -5.106 -14.712 0.948 1.00 0.00 N ATOM 565 CA PRO A 41 -4.182 -13.851 1.667 1.00 0.00 C ATOM 566 C PRO A 41 -3.614 -12.768 0.748 1.00 0.00 C ATOM 567 O PRO A 41 -3.423 -12.998 -0.445 1.00 0.00 O ATOM 568 CB PRO A 41 -3.116 -14.788 2.211 1.00 0.00 C ATOM 569 CG PRO A 41 -3.224 -16.064 1.393 1.00 0.00 C ATOM 570 CD PRO A 41 -4.541 -16.021 0.634 1.00 0.00 C ATOM 0 HA PRO A 41 -4.662 -13.301 2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.124 -14.347 2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.276 -14.989 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.387 -16.145 0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.186 -16.938 2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.384 -16.138 -0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.206 -16.825 0.949 1.00 0.00 H new ATOM 578 N GLY A 42 -3.359 -11.610 1.340 1.00 0.00 N ATOM 579 CA GLY A 42 -2.817 -10.490 0.589 1.00 0.00 C ATOM 580 C GLY A 42 -3.181 -9.159 1.251 1.00 0.00 C ATOM 581 O GLY A 42 -3.655 -9.135 2.386 1.00 0.00 O ATOM 0 H GLY A 42 -3.518 -11.423 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.733 -10.583 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.202 -10.511 -0.431 1.00 0.00 H new ATOM 585 N ILE A 43 -2.946 -8.084 0.512 1.00 0.00 N ATOM 586 CA ILE A 43 -3.243 -6.753 1.013 1.00 0.00 C ATOM 587 C ILE A 43 -4.308 -6.105 0.126 1.00 0.00 C ATOM 588 O ILE A 43 -4.067 -5.848 -1.053 1.00 0.00 O ATOM 589 CB ILE A 43 -1.961 -5.928 1.136 1.00 0.00 C ATOM 590 CG1 ILE A 43 -0.915 -6.663 1.977 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.258 -4.531 1.684 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.287 -6.636 3.461 1.00 0.00 C ATOM 0 H ILE A 43 -2.554 -8.108 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.656 -6.809 2.020 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.541 -5.800 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.831 -7.696 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.062 -6.200 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.329 -3.966 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.942 -4.014 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.714 -4.616 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.527 -7.165 4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.346 -5.603 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.253 -7.121 3.603 1.00 0.00 H new ATOM 604 N PHE A 44 -5.464 -5.860 0.726 1.00 0.00 N ATOM 605 CA PHE A 44 -6.566 -5.247 0.005 1.00 0.00 C ATOM 606 C PHE A 44 -7.038 -3.972 0.706 1.00 0.00 C ATOM 607 O PHE A 44 -6.810 -3.795 1.902 1.00 0.00 O ATOM 608 CB PHE A 44 -7.712 -6.262 -0.007 1.00 0.00 C ATOM 609 CG PHE A 44 -7.289 -7.672 -0.422 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.464 -8.398 0.380 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.738 -8.201 -1.592 1.00 0.00 C ATOM 612 CE1 PHE A 44 -6.071 -9.708 -0.005 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.346 -9.510 -1.976 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.521 -10.236 -1.175 1.00 0.00 C ATOM 0 H PHE A 44 -5.661 -6.075 1.703 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.248 -4.979 -1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.156 -6.305 0.987 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.488 -5.911 -0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.108 -7.979 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.393 -7.625 -2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.415 -10.284 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.703 -9.930 -2.905 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.223 -11.232 -1.468 1.00 0.00 H new ATOM 624 N ILE A 45 -7.688 -3.115 -0.068 1.00 0.00 N ATOM 625 CA ILE A 45 -8.194 -1.861 0.463 1.00 0.00 C ATOM 626 C ILE A 45 -9.581 -2.090 1.066 1.00 0.00 C ATOM 627 O ILE A 45 -10.373 -2.867 0.533 1.00 0.00 O ATOM 628 CB ILE A 45 -8.162 -0.772 -0.611 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.733 -0.280 -0.852 1.00 0.00 C ATOM 630 CG2 ILE A 45 -9.111 0.375 -0.258 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.712 0.870 -1.860 1.00 0.00 C ATOM 0 H ILE A 45 -7.876 -3.265 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.552 -1.501 1.267 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.515 -1.206 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.294 0.049 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.119 -1.102 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.069 1.135 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.129 -0.007 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.812 0.815 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.685 1.201 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.129 0.530 -2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.307 1.699 -1.478 1.00 0.00 H new ATOM 643 N SER A 46 -9.834 -1.400 2.168 1.00 0.00 N ATOM 644 CA SER A 46 -11.112 -1.518 2.849 1.00 0.00 C ATOM 645 C SER A 46 -11.956 -0.267 2.599 1.00 0.00 C ATOM 646 O SER A 46 -13.173 -0.355 2.444 1.00 0.00 O ATOM 647 CB SER A 46 -10.918 -1.737 4.350 1.00 0.00 C ATOM 648 OG SER A 46 -11.963 -1.143 5.116 1.00 0.00 O ATOM 0 H SER A 46 -9.175 -0.757 2.607 1.00 0.00 H new ATOM 0 HA SER A 46 -11.634 -2.386 2.448 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.879 -2.806 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.960 -1.317 4.657 1.00 0.00 H new ATOM 0 HG SER A 46 -11.803 -1.306 6.069 1.00 0.00 H new ATOM 654 N HIS A 47 -11.276 0.870 2.568 1.00 0.00 N ATOM 655 CA HIS A 47 -11.948 2.138 2.340 1.00 0.00 C ATOM 656 C HIS A 47 -10.985 3.114 1.662 1.00 0.00 C ATOM 657 O HIS A 47 -9.780 2.873 1.617 1.00 0.00 O ATOM 658 CB HIS A 47 -12.528 2.687 3.645 1.00 0.00 C ATOM 659 CG HIS A 47 -13.315 3.966 3.477 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.722 5.216 3.475 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.652 4.173 3.305 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.669 6.128 3.309 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.864 5.480 3.205 1.00 0.00 N ATOM 0 H HIS A 47 -10.267 0.939 2.697 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.794 1.991 1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.174 1.930 4.090 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.713 2.863 4.347 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.409 3.405 3.258 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.520 7.197 3.264 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.772 5.926 3.072 1.00 0.00 H new ATOM 671 N VAL A 48 -11.553 4.197 1.151 1.00 0.00 N ATOM 672 CA VAL A 48 -10.760 5.211 0.477 1.00 0.00 C ATOM 673 C VAL A 48 -11.326 6.595 0.804 1.00 0.00 C ATOM 674 O VAL A 48 -12.541 6.781 0.835 1.00 0.00 O ATOM 675 CB VAL A 48 -10.711 4.924 -1.025 1.00 0.00 C ATOM 676 CG1 VAL A 48 -10.280 6.167 -1.806 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.792 3.740 -1.327 1.00 0.00 C ATOM 0 H VAL A 48 -12.553 4.394 1.190 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.730 5.189 0.832 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.717 4.657 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.253 5.936 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.991 6.974 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.288 6.478 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.775 3.557 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.783 3.965 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.162 2.852 -0.814 1.00 0.00 H new ATOM 730 N SER A 52 -7.454 11.276 -1.812 1.00 0.00 N ATOM 731 CA SER A 52 -6.333 10.772 -1.038 1.00 0.00 C ATOM 732 C SER A 52 -5.249 10.236 -1.976 1.00 0.00 C ATOM 733 O SER A 52 -5.329 10.415 -3.190 1.00 0.00 O ATOM 734 CB SER A 52 -6.781 9.679 -0.066 1.00 0.00 C ATOM 735 OG SER A 52 -7.372 8.572 -0.742 1.00 0.00 O ATOM 0 HA SER A 52 -5.924 11.595 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.924 9.335 0.512 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.497 10.095 0.643 1.00 0.00 H new ATOM 0 HG SER A 52 -6.855 7.761 -0.556 1.00 0.00 H new ATOM 741 N LEU A 53 -4.259 9.590 -1.376 1.00 0.00 N ATOM 742 CA LEU A 53 -3.160 9.028 -2.143 1.00 0.00 C ATOM 743 C LEU A 53 -3.674 7.849 -2.972 1.00 0.00 C ATOM 744 O LEU A 53 -3.003 7.400 -3.901 1.00 0.00 O ATOM 745 CB LEU A 53 -1.993 8.669 -1.222 1.00 0.00 C ATOM 746 CG LEU A 53 -0.629 9.242 -1.613 1.00 0.00 C ATOM 747 CD1 LEU A 53 -0.750 10.707 -2.036 1.00 0.00 C ATOM 748 CD2 LEU A 53 0.389 9.053 -0.487 1.00 0.00 C ATOM 0 H LEU A 53 -4.195 9.444 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.768 9.765 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.233 9.010 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.910 7.583 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.261 8.687 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.234 11.089 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.420 10.784 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.150 11.293 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.349 9.469 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.039 9.565 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.505 7.990 -0.276 1.00 0.00 H new ATOM 760 N SER A 54 -4.858 7.381 -2.607 1.00 0.00 N ATOM 761 CA SER A 54 -5.469 6.263 -3.305 1.00 0.00 C ATOM 762 C SER A 54 -6.410 6.779 -4.397 1.00 0.00 C ATOM 763 O SER A 54 -6.391 6.282 -5.522 1.00 0.00 O ATOM 764 CB SER A 54 -6.229 5.356 -2.335 1.00 0.00 C ATOM 765 OG SER A 54 -6.394 5.962 -1.056 1.00 0.00 O ATOM 0 H SER A 54 -5.411 7.756 -1.836 1.00 0.00 H new ATOM 0 HA SER A 54 -4.676 5.673 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.207 5.118 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.692 4.414 -2.223 1.00 0.00 H new ATOM 0 HG SER A 54 -5.562 5.878 -0.545 1.00 0.00 H new ATOM 771 N ALA A 55 -7.209 7.768 -4.026 1.00 0.00 N ATOM 772 CA ALA A 55 -8.154 8.356 -4.959 1.00 0.00 C ATOM 773 C ALA A 55 -7.387 9.080 -6.067 1.00 0.00 C ATOM 774 O ALA A 55 -7.696 8.920 -7.247 1.00 0.00 O ATOM 775 CB ALA A 55 -9.105 9.287 -4.204 1.00 0.00 C ATOM 0 H ALA A 55 -7.221 8.177 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.761 7.582 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.814 9.728 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.647 8.718 -3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.532 10.078 -3.721 1.00 0.00 H new ATOM 781 N GLU A 56 -6.402 9.861 -5.648 1.00 0.00 N ATOM 782 CA GLU A 56 -5.589 10.610 -6.591 1.00 0.00 C ATOM 783 C GLU A 56 -5.193 9.722 -7.773 1.00 0.00 C ATOM 784 O GLU A 56 -5.069 10.202 -8.899 1.00 0.00 O ATOM 785 CB GLU A 56 -4.351 11.192 -5.905 1.00 0.00 C ATOM 786 CG GLU A 56 -3.412 10.081 -5.433 1.00 0.00 C ATOM 787 CD GLU A 56 -2.004 10.625 -5.177 1.00 0.00 C ATOM 788 OE1 GLU A 56 -1.919 11.781 -4.709 1.00 0.00 O ATOM 789 OE2 GLU A 56 -1.046 9.872 -5.455 1.00 0.00 O ATOM 0 H GLU A 56 -6.149 9.991 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.181 11.443 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.824 11.850 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.655 11.802 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.804 9.632 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.370 9.292 -6.184 1.00 0.00 H new ATOM 796 N VAL A 57 -5.007 8.444 -7.477 1.00 0.00 N ATOM 797 CA VAL A 57 -4.629 7.486 -8.501 1.00 0.00 C ATOM 798 C VAL A 57 -5.885 6.796 -9.037 1.00 0.00 C ATOM 799 O VAL A 57 -5.902 6.325 -10.173 1.00 0.00 O ATOM 800 CB VAL A 57 -3.599 6.502 -7.942 1.00 0.00 C ATOM 801 CG1 VAL A 57 -2.325 7.230 -7.507 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.187 5.689 -6.787 1.00 0.00 C ATOM 0 H VAL A 57 -5.111 8.050 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.153 7.993 -9.341 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.333 5.807 -8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.610 6.508 -7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.889 7.743 -8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.568 7.958 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.434 4.998 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.496 6.363 -5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.051 5.126 -7.141 1.00 0.00 H new ATOM 812 N GLY A 58 -6.906 6.758 -8.193 1.00 0.00 N ATOM 813 CA GLY A 58 -8.163 6.133 -8.567 1.00 0.00 C ATOM 814 C GLY A 58 -8.303 4.752 -7.923 1.00 0.00 C ATOM 815 O GLY A 58 -8.845 3.831 -8.531 1.00 0.00 O ATOM 0 H GLY A 58 -6.888 7.150 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.994 6.767 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.218 6.039 -9.652 1.00 0.00 H new ATOM 819 N LEU A 59 -7.805 4.653 -6.699 1.00 0.00 N ATOM 820 CA LEU A 59 -7.867 3.400 -5.965 1.00 0.00 C ATOM 821 C LEU A 59 -9.250 3.257 -5.326 1.00 0.00 C ATOM 822 O LEU A 59 -9.794 4.223 -4.793 1.00 0.00 O ATOM 823 CB LEU A 59 -6.714 3.308 -4.964 1.00 0.00 C ATOM 824 CG LEU A 59 -5.378 2.813 -5.523 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.293 2.830 -4.445 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.530 1.431 -6.162 1.00 0.00 C ATOM 0 H LEU A 59 -7.357 5.420 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.739 2.555 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.559 4.294 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.015 2.644 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.061 3.498 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.354 2.474 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.162 3.847 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.589 2.181 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.566 1.102 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.880 0.721 -5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.252 1.484 -6.977 1.00 0.00 H new ATOM 838 N GLU A 60 -9.778 2.045 -5.400 1.00 0.00 N ATOM 839 CA GLU A 60 -11.087 1.763 -4.835 1.00 0.00 C ATOM 840 C GLU A 60 -11.051 0.457 -4.038 1.00 0.00 C ATOM 841 O GLU A 60 -10.091 -0.306 -4.133 1.00 0.00 O ATOM 842 CB GLU A 60 -12.156 1.710 -5.928 1.00 0.00 C ATOM 843 CG GLU A 60 -12.242 3.041 -6.676 1.00 0.00 C ATOM 844 CD GLU A 60 -13.275 2.971 -7.803 1.00 0.00 C ATOM 845 OE1 GLU A 60 -12.896 2.486 -8.891 1.00 0.00 O ATOM 846 OE2 GLU A 60 -14.420 3.404 -7.551 1.00 0.00 O ATOM 0 H GLU A 60 -9.323 1.246 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.350 2.573 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.924 0.909 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.123 1.475 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.510 3.836 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.265 3.294 -7.088 1.00 0.00 H new ATOM 853 N ILE A 61 -12.109 0.240 -3.271 1.00 0.00 N ATOM 854 CA ILE A 61 -12.211 -0.961 -2.459 1.00 0.00 C ATOM 855 C ILE A 61 -12.092 -2.192 -3.359 1.00 0.00 C ATOM 856 O ILE A 61 -12.702 -2.247 -4.426 1.00 0.00 O ATOM 857 CB ILE A 61 -13.491 -0.933 -1.620 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.456 0.210 -0.604 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.737 -2.287 -0.952 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.871 0.651 -0.226 1.00 0.00 C ATOM 0 H ILE A 61 -12.903 0.875 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.390 -1.009 -1.744 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.333 -0.745 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.920 -0.109 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.907 1.055 -1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.652 -2.241 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.837 -3.057 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.897 -2.529 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.817 1.465 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.396 0.993 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.409 -0.189 0.212 1.00 0.00 H new ATOM 872 N GLY A 62 -11.303 -3.150 -2.896 1.00 0.00 N ATOM 873 CA GLY A 62 -11.096 -4.377 -3.646 1.00 0.00 C ATOM 874 C GLY A 62 -9.696 -4.414 -4.262 1.00 0.00 C ATOM 875 O GLY A 62 -9.111 -5.485 -4.419 1.00 0.00 O ATOM 0 H GLY A 62 -10.799 -3.101 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.231 -5.236 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.846 -4.457 -4.433 1.00 0.00 H new ATOM 879 N ASP A 63 -9.199 -3.232 -4.594 1.00 0.00 N ATOM 880 CA ASP A 63 -7.879 -3.115 -5.189 1.00 0.00 C ATOM 881 C ASP A 63 -6.855 -3.812 -4.290 1.00 0.00 C ATOM 882 O ASP A 63 -6.385 -3.232 -3.313 1.00 0.00 O ATOM 883 CB ASP A 63 -7.464 -1.649 -5.328 1.00 0.00 C ATOM 884 CG ASP A 63 -8.364 -0.806 -6.234 1.00 0.00 C ATOM 885 OD1 ASP A 63 -9.328 -1.388 -6.777 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.069 0.402 -6.362 1.00 0.00 O ATOM 0 H ASP A 63 -9.687 -2.346 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.913 -3.575 -6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.446 -1.196 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.446 -1.610 -5.715 1.00 0.00 H new ATOM 891 N GLN A 64 -6.541 -5.048 -4.652 1.00 0.00 N ATOM 892 CA GLN A 64 -5.583 -5.830 -3.890 1.00 0.00 C ATOM 893 C GLN A 64 -4.155 -5.479 -4.315 1.00 0.00 C ATOM 894 O GLN A 64 -3.818 -5.558 -5.495 1.00 0.00 O ATOM 895 CB GLN A 64 -5.849 -7.328 -4.047 1.00 0.00 C ATOM 896 CG GLN A 64 -4.774 -8.154 -3.338 1.00 0.00 C ATOM 897 CD GLN A 64 -4.779 -9.601 -3.833 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.616 -10.013 -4.619 1.00 0.00 O ATOM 899 NE2 GLN A 64 -3.799 -10.348 -3.332 1.00 0.00 N ATOM 0 H GLN A 64 -6.933 -5.526 -5.463 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.699 -5.583 -2.835 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.829 -7.572 -3.637 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.873 -7.588 -5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.794 -7.709 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.946 -8.134 -2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.131 -9.941 -2.678 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.716 -11.328 -3.602 1.00 0.00 H new ATOM 908 N ILE A 65 -3.355 -5.100 -3.329 1.00 0.00 N ATOM 909 CA ILE A 65 -1.971 -4.738 -3.585 1.00 0.00 C ATOM 910 C ILE A 65 -1.151 -6.008 -3.818 1.00 0.00 C ATOM 911 O ILE A 65 -0.893 -6.764 -2.883 1.00 0.00 O ATOM 912 CB ILE A 65 -1.432 -3.854 -2.459 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.339 -2.644 -2.229 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.016 -3.441 -2.732 1.00 0.00 C ATOM 915 CD1 ILE A 65 -2.199 -2.117 -0.799 1.00 0.00 C ATOM 0 H ILE A 65 -3.639 -5.036 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.895 -4.139 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.433 -4.436 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.086 -1.855 -2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.376 -2.921 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.375 -2.813 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.640 -4.331 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.065 -2.884 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.854 -1.257 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.477 -2.900 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.166 -1.818 -0.621 1.00 0.00 H new ATOM 927 N VAL A 66 -0.763 -6.203 -5.070 1.00 0.00 N ATOM 928 CA VAL A 66 0.024 -7.368 -5.437 1.00 0.00 C ATOM 929 C VAL A 66 1.499 -6.974 -5.530 1.00 0.00 C ATOM 930 O VAL A 66 2.380 -7.827 -5.437 1.00 0.00 O ATOM 931 CB VAL A 66 -0.516 -7.976 -6.733 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.997 -8.334 -6.596 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.286 -7.035 -7.917 1.00 0.00 C ATOM 0 H VAL A 66 -0.979 -5.574 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.057 -8.140 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 66 0.034 -8.897 -6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.355 -8.764 -7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.123 -9.058 -5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.569 -7.435 -6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.679 -7.491 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.797 -6.090 -7.735 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.782 -6.853 -8.035 1.00 0.00 H new ATOM 943 N GLU A 67 1.722 -5.680 -5.712 1.00 0.00 N ATOM 944 CA GLU A 67 3.076 -5.162 -5.819 1.00 0.00 C ATOM 945 C GLU A 67 3.122 -3.701 -5.367 1.00 0.00 C ATOM 946 O GLU A 67 2.124 -2.989 -5.455 1.00 0.00 O ATOM 947 CB GLU A 67 3.609 -5.312 -7.245 1.00 0.00 C ATOM 948 CG GLU A 67 4.949 -4.592 -7.408 1.00 0.00 C ATOM 949 CD GLU A 67 5.435 -4.658 -8.857 1.00 0.00 C ATOM 950 OE1 GLU A 67 4.725 -4.098 -9.720 1.00 0.00 O ATOM 951 OE2 GLU A 67 6.505 -5.268 -9.070 1.00 0.00 O ATOM 0 H GLU A 67 0.988 -4.975 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 67 3.721 -5.746 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.729 -6.369 -7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.886 -4.906 -7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.846 -3.551 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.691 -5.045 -6.751 1.00 0.00 H new ATOM 958 N VAL A 68 4.292 -3.299 -4.892 1.00 0.00 N ATOM 959 CA VAL A 68 4.482 -1.936 -4.426 1.00 0.00 C ATOM 960 C VAL A 68 5.953 -1.547 -4.585 1.00 0.00 C ATOM 961 O VAL A 68 6.825 -2.127 -3.940 1.00 0.00 O ATOM 962 CB VAL A 68 3.980 -1.800 -2.987 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.211 -0.384 -2.457 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.504 -2.191 -2.882 1.00 0.00 C ATOM 0 H VAL A 68 5.118 -3.893 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 68 3.895 -1.242 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 68 4.554 -2.488 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.845 -0.315 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.277 -0.157 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.676 0.330 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.172 -2.085 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.909 -1.540 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.378 -3.226 -3.199 1.00 0.00 H new ATOM 974 N ASN A 69 6.184 -0.569 -5.448 1.00 0.00 N ATOM 975 CA ASN A 69 7.534 -0.096 -5.700 1.00 0.00 C ATOM 976 C ASN A 69 8.406 -1.271 -6.146 1.00 0.00 C ATOM 977 O ASN A 69 9.627 -1.235 -5.996 1.00 0.00 O ATOM 978 CB ASN A 69 8.155 0.499 -4.434 1.00 0.00 C ATOM 979 CG ASN A 69 8.606 1.942 -4.670 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.516 2.477 -5.763 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.094 2.540 -3.588 1.00 0.00 N ATOM 0 H ASN A 69 5.458 -0.091 -5.982 1.00 0.00 H new ATOM 0 HA ASN A 69 7.484 0.672 -6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.430 0.469 -3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.007 -0.106 -4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.421 3.505 -3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.141 2.034 -2.703 1.00 0.00 H new ATOM 988 N GLY A 70 7.746 -2.284 -6.687 1.00 0.00 N ATOM 989 CA GLY A 70 8.446 -3.468 -7.157 1.00 0.00 C ATOM 990 C GLY A 70 8.584 -4.503 -6.038 1.00 0.00 C ATOM 991 O GLY A 70 9.417 -5.405 -6.122 1.00 0.00 O ATOM 0 H GLY A 70 6.734 -2.310 -6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.906 -3.905 -7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.434 -3.189 -7.524 1.00 0.00 H new ATOM 995 N VAL A 71 7.756 -4.338 -5.017 1.00 0.00 N ATOM 996 CA VAL A 71 7.776 -5.247 -3.884 1.00 0.00 C ATOM 997 C VAL A 71 6.742 -6.353 -4.104 1.00 0.00 C ATOM 998 O VAL A 71 5.805 -6.185 -4.883 1.00 0.00 O ATOM 999 CB VAL A 71 7.552 -4.469 -2.585 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.542 -5.408 -1.378 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.602 -3.369 -2.417 1.00 0.00 C ATOM 0 H VAL A 71 7.067 -3.589 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 71 8.751 -5.726 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 71 6.574 -3.992 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.381 -4.830 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.740 -6.137 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.498 -5.928 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.420 -2.831 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.596 -3.816 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.539 -2.675 -3.255 1.00 0.00 H new ATOM 1011 N ASP A 72 6.947 -7.459 -3.404 1.00 0.00 N ATOM 1012 CA ASP A 72 6.045 -8.592 -3.514 1.00 0.00 C ATOM 1013 C ASP A 72 4.966 -8.486 -2.434 1.00 0.00 C ATOM 1014 O ASP A 72 5.111 -9.049 -1.350 1.00 0.00 O ATOM 1015 CB ASP A 72 6.790 -9.912 -3.309 1.00 0.00 C ATOM 1016 CG ASP A 72 6.245 -11.095 -4.113 1.00 0.00 C ATOM 1017 OD1 ASP A 72 5.137 -10.938 -4.671 1.00 0.00 O ATOM 1018 OD2 ASP A 72 6.947 -12.128 -4.150 1.00 0.00 O ATOM 0 H ASP A 72 7.725 -7.594 -2.758 1.00 0.00 H new ATOM 0 HA ASP A 72 5.606 -8.577 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.837 -9.765 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.760 -10.168 -2.250 1.00 0.00 H new ATOM 1023 N PHE A 73 3.909 -7.760 -2.767 1.00 0.00 N ATOM 1024 CA PHE A 73 2.807 -7.573 -1.839 1.00 0.00 C ATOM 1025 C PHE A 73 1.714 -8.619 -2.067 1.00 0.00 C ATOM 1026 O PHE A 73 0.549 -8.384 -1.752 1.00 0.00 O ATOM 1027 CB PHE A 73 2.228 -6.182 -2.107 1.00 0.00 C ATOM 1028 CG PHE A 73 2.826 -5.080 -1.230 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.162 -4.830 -1.269 1.00 0.00 C ATOM 1030 CD2 PHE A 73 2.021 -4.350 -0.411 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.717 -3.807 -0.455 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.576 -3.327 0.402 1.00 0.00 C ATOM 1033 CZ PHE A 73 3.912 -3.077 0.363 1.00 0.00 C ATOM 0 H PHE A 73 3.792 -7.294 -3.667 1.00 0.00 H new ATOM 0 HA PHE A 73 3.163 -7.676 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.391 -5.927 -3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.150 -6.212 -1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.801 -5.409 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.960 -4.549 -0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.778 -3.609 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.937 -2.747 1.052 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.334 -2.299 0.982 1.00 0.00 H new ATOM 1043 N SER A 74 2.130 -9.753 -2.613 1.00 0.00 N ATOM 1044 CA SER A 74 1.201 -10.836 -2.886 1.00 0.00 C ATOM 1045 C SER A 74 0.940 -11.637 -1.609 1.00 0.00 C ATOM 1046 O SER A 74 -0.169 -12.122 -1.392 1.00 0.00 O ATOM 1047 CB SER A 74 1.735 -11.754 -3.988 1.00 0.00 C ATOM 1048 OG SER A 74 0.704 -12.173 -4.879 1.00 0.00 O ATOM 0 H SER A 74 3.097 -9.945 -2.873 1.00 0.00 H new ATOM 0 HA SER A 74 0.263 -10.403 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.510 -11.233 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.202 -12.629 -3.536 1.00 0.00 H new ATOM 0 HG SER A 74 1.085 -12.756 -5.569 1.00 0.00 H new ATOM 1054 N ASN A 75 1.981 -11.751 -0.797 1.00 0.00 N ATOM 1055 CA ASN A 75 1.878 -12.485 0.453 1.00 0.00 C ATOM 1056 C ASN A 75 2.575 -11.695 1.562 1.00 0.00 C ATOM 1057 O ASN A 75 3.343 -12.257 2.341 1.00 0.00 O ATOM 1058 CB ASN A 75 2.558 -13.851 0.347 1.00 0.00 C ATOM 1059 CG ASN A 75 2.089 -14.602 -0.901 1.00 0.00 C ATOM 1060 OD1 ASN A 75 2.859 -14.923 -1.791 1.00 0.00 O ATOM 1061 ND2 ASN A 75 0.785 -14.864 -0.916 1.00 0.00 N ATOM 0 H ASN A 75 2.900 -11.347 -0.980 1.00 0.00 H new ATOM 0 HA ASN A 75 0.820 -12.625 0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.640 -13.721 0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.336 -14.442 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.374 -15.362 -1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.196 -14.567 -0.138 1.00 0.00 H new ATOM 1068 N LEU A 76 2.283 -10.403 1.598 1.00 0.00 N ATOM 1069 CA LEU A 76 2.872 -9.530 2.598 1.00 0.00 C ATOM 1070 C LEU A 76 2.045 -9.602 3.883 1.00 0.00 C ATOM 1071 O LEU A 76 1.206 -10.489 4.036 1.00 0.00 O ATOM 1072 CB LEU A 76 3.028 -8.111 2.047 1.00 0.00 C ATOM 1073 CG LEU A 76 4.429 -7.729 1.564 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.499 -6.243 1.208 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.490 -8.123 2.593 1.00 0.00 C ATOM 0 H LEU A 76 1.646 -9.940 0.950 1.00 0.00 H new ATOM 0 HA LEU A 76 3.880 -9.863 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.333 -7.986 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.728 -7.406 2.823 1.00 0.00 H new ATOM 0 HG LEU A 76 4.641 -8.289 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.505 -5.997 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.784 -6.025 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.258 -5.646 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.476 -7.840 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.293 -7.609 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.458 -9.201 2.754 1.00 0.00 H new ATOM 1087 N ASP A 77 2.310 -8.658 4.774 1.00 0.00 N ATOM 1088 CA ASP A 77 1.600 -8.604 6.041 1.00 0.00 C ATOM 1089 C ASP A 77 1.130 -7.171 6.296 1.00 0.00 C ATOM 1090 O ASP A 77 1.520 -6.249 5.582 1.00 0.00 O ATOM 1091 CB ASP A 77 2.510 -9.017 7.200 1.00 0.00 C ATOM 1092 CG ASP A 77 1.834 -9.050 8.572 1.00 0.00 C ATOM 1093 OD1 ASP A 77 0.882 -9.846 8.717 1.00 0.00 O ATOM 1094 OD2 ASP A 77 2.285 -8.278 9.445 1.00 0.00 O ATOM 0 H ASP A 77 3.007 -7.924 4.644 1.00 0.00 H new ATOM 0 HA ASP A 77 0.755 -9.290 5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.917 -10.006 6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.353 -8.328 7.244 1.00 0.00 H new ATOM 1099 N HIS A 78 0.297 -7.028 7.317 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.231 -5.723 7.676 1.00 0.00 C ATOM 1101 C HIS A 78 0.880 -4.873 8.295 1.00 0.00 C ATOM 1102 O HIS A 78 0.682 -3.690 8.568 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.450 -5.862 8.590 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.150 -4.557 8.882 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.678 -3.644 9.808 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.292 -4.022 8.361 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.505 -2.609 9.836 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.505 -2.846 8.939 1.00 0.00 N ATOM 0 H HIS A 78 -0.025 -7.795 7.907 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.579 -5.209 6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.160 -6.548 8.129 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.136 -6.313 9.531 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -0.836 -3.750 10.374 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.916 -4.478 7.607 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.405 -1.733 10.459 1.00 0.00 H new ATOM 1116 N LYS A 79 2.025 -5.508 8.498 1.00 0.00 N ATOM 1117 CA LYS A 79 3.168 -4.825 9.079 1.00 0.00 C ATOM 1118 C LYS A 79 4.242 -4.633 8.007 1.00 0.00 C ATOM 1119 O LYS A 79 4.920 -3.607 7.979 1.00 0.00 O ATOM 1120 CB LYS A 79 3.664 -5.571 10.320 1.00 0.00 C ATOM 1121 CG LYS A 79 2.601 -5.571 11.420 1.00 0.00 C ATOM 1122 CD LYS A 79 3.128 -4.903 12.692 1.00 0.00 C ATOM 1123 CE LYS A 79 2.178 -5.136 13.868 1.00 0.00 C ATOM 1124 NZ LYS A 79 2.699 -4.488 15.092 1.00 0.00 N ATOM 0 H LYS A 79 2.186 -6.489 8.270 1.00 0.00 H new ATOM 0 HA LYS A 79 2.882 -3.832 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.918 -6.597 10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.576 -5.102 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.712 -5.046 11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.301 -6.595 11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.115 -5.299 12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.247 -3.833 12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.192 -4.738 13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.057 -6.206 14.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.042 -4.656 15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.630 -4.887 15.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.791 -3.465 14.931 1.00 0.00 H new ATOM 1138 N GLU A 80 4.363 -5.637 7.150 1.00 0.00 N ATOM 1139 CA GLU A 80 5.344 -5.592 6.078 1.00 0.00 C ATOM 1140 C GLU A 80 4.844 -4.700 4.939 1.00 0.00 C ATOM 1141 O GLU A 80 5.630 -3.996 4.307 1.00 0.00 O ATOM 1142 CB GLU A 80 5.668 -6.998 5.572 1.00 0.00 C ATOM 1143 CG GLU A 80 6.289 -7.850 6.681 1.00 0.00 C ATOM 1144 CD GLU A 80 7.309 -8.837 6.108 1.00 0.00 C ATOM 1145 OE1 GLU A 80 8.420 -8.374 5.773 1.00 0.00 O ATOM 1146 OE2 GLU A 80 6.953 -10.032 6.017 1.00 0.00 O ATOM 0 H GLU A 80 3.798 -6.486 7.176 1.00 0.00 H new ATOM 0 HA GLU A 80 6.265 -5.163 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.759 -7.476 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.355 -6.935 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.774 -7.204 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.506 -8.395 7.207 1.00 0.00 H new ATOM 1153 N ALA A 81 3.540 -4.761 4.712 1.00 0.00 N ATOM 1154 CA ALA A 81 2.926 -3.968 3.660 1.00 0.00 C ATOM 1155 C ALA A 81 2.908 -2.497 4.081 1.00 0.00 C ATOM 1156 O ALA A 81 3.002 -1.606 3.239 1.00 0.00 O ATOM 1157 CB ALA A 81 1.525 -4.508 3.365 1.00 0.00 C ATOM 0 H ALA A 81 2.892 -5.347 5.238 1.00 0.00 H new ATOM 0 HA ALA A 81 3.503 -4.040 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.065 -3.913 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.596 -5.547 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.915 -4.449 4.267 1.00 0.00 H new ATOM 1163 N VAL A 82 2.785 -2.289 5.384 1.00 0.00 N ATOM 1164 CA VAL A 82 2.753 -0.941 5.926 1.00 0.00 C ATOM 1165 C VAL A 82 4.183 -0.411 6.048 1.00 0.00 C ATOM 1166 O VAL A 82 4.442 0.757 5.760 1.00 0.00 O ATOM 1167 CB VAL A 82 1.997 -0.931 7.256 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.298 0.343 8.048 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.492 -1.094 7.033 1.00 0.00 C ATOM 0 H VAL A 82 2.706 -3.031 6.080 1.00 0.00 H new ATOM 0 HA VAL A 82 2.214 -0.272 5.255 1.00 0.00 H new ATOM 0 HB VAL A 82 2.343 -1.781 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.748 0.325 8.989 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.367 0.400 8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.994 1.213 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.022 -1.084 7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.125 -0.274 6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.299 -2.041 6.529 1.00 0.00 H new ATOM 1179 N ASN A 83 5.074 -1.294 6.474 1.00 0.00 N ATOM 1180 CA ASN A 83 6.471 -0.929 6.637 1.00 0.00 C ATOM 1181 C ASN A 83 7.048 -0.521 5.281 1.00 0.00 C ATOM 1182 O ASN A 83 7.778 0.465 5.184 1.00 0.00 O ATOM 1183 CB ASN A 83 7.290 -2.109 7.164 1.00 0.00 C ATOM 1184 CG ASN A 83 8.769 -1.736 7.292 1.00 0.00 C ATOM 1185 OD1 ASN A 83 9.127 -0.625 7.646 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.604 -2.724 6.986 1.00 0.00 N ATOM 0 H ASN A 83 4.856 -2.262 6.711 1.00 0.00 H new ATOM 0 HA ASN A 83 6.524 -0.106 7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.904 -2.419 8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.183 -2.960 6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.612 -2.575 7.041 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.237 -3.631 6.697 1.00 0.00 H new ATOM 1193 N VAL A 84 6.700 -1.299 4.266 1.00 0.00 N ATOM 1194 CA VAL A 84 7.175 -1.031 2.920 1.00 0.00 C ATOM 1195 C VAL A 84 6.430 0.180 2.353 1.00 0.00 C ATOM 1196 O VAL A 84 6.977 0.925 1.542 1.00 0.00 O ATOM 1197 CB VAL A 84 7.027 -2.283 2.053 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.390 -1.988 0.597 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.870 -3.434 2.606 1.00 0.00 C ATOM 0 H VAL A 84 6.094 -2.115 4.350 1.00 0.00 H new ATOM 0 HA VAL A 84 8.237 -0.784 2.932 1.00 0.00 H new ATOM 0 HB VAL A 84 5.981 -2.589 2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.276 -2.895 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.730 -1.213 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.423 -1.645 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.747 -4.312 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.920 -3.141 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.544 -3.670 3.619 1.00 0.00 H new ATOM 1209 N LEU A 85 5.194 0.338 2.803 1.00 0.00 N ATOM 1210 CA LEU A 85 4.368 1.444 2.351 1.00 0.00 C ATOM 1211 C LEU A 85 4.812 2.727 3.057 1.00 0.00 C ATOM 1212 O LEU A 85 4.708 3.817 2.496 1.00 0.00 O ATOM 1213 CB LEU A 85 2.885 1.119 2.540 1.00 0.00 C ATOM 1214 CG LEU A 85 2.229 0.308 1.421 1.00 0.00 C ATOM 1215 CD1 LEU A 85 0.820 -0.136 1.821 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.233 1.086 0.104 1.00 0.00 C ATOM 0 H LEU A 85 4.744 -0.282 3.477 1.00 0.00 H new ATOM 0 HA LEU A 85 4.500 1.606 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.770 0.571 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.339 2.056 2.651 1.00 0.00 H new ATOM 0 HG LEU A 85 2.819 -0.595 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.375 -0.711 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.874 -0.755 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.206 0.741 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.761 0.486 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.681 2.017 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.260 1.310 -0.183 1.00 0.00 H new ATOM 1228 N LYS A 86 5.296 2.555 4.278 1.00 0.00 N ATOM 1229 CA LYS A 86 5.756 3.686 5.067 1.00 0.00 C ATOM 1230 C LYS A 86 7.263 3.860 4.871 1.00 0.00 C ATOM 1231 O LYS A 86 7.838 4.856 5.307 1.00 0.00 O ATOM 1232 CB LYS A 86 5.340 3.522 6.530 1.00 0.00 C ATOM 1233 CG LYS A 86 6.427 2.804 7.332 1.00 0.00 C ATOM 1234 CD LYS A 86 6.007 2.630 8.793 1.00 0.00 C ATOM 1235 CE LYS A 86 4.809 1.686 8.910 1.00 0.00 C ATOM 1236 NZ LYS A 86 4.699 1.156 10.287 1.00 0.00 N ATOM 0 H LYS A 86 5.380 1.650 4.741 1.00 0.00 H new ATOM 0 HA LYS A 86 5.282 4.607 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.146 4.501 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.409 2.958 6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.626 1.828 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.356 3.372 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.843 2.236 9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.753 3.600 9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.894 2.215 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.917 0.862 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.881 0.517 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.565 0.633 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.574 1.944 10.953 1.00 0.00 H new ATOM 1250 N SER A 87 7.860 2.875 4.216 1.00 0.00 N ATOM 1251 CA SER A 87 9.289 2.906 3.958 1.00 0.00 C ATOM 1252 C SER A 87 9.667 4.217 3.265 1.00 0.00 C ATOM 1253 O SER A 87 10.429 5.014 3.809 1.00 0.00 O ATOM 1254 CB SER A 87 9.722 1.711 3.105 1.00 0.00 C ATOM 1255 OG SER A 87 10.419 0.733 3.872 1.00 0.00 O ATOM 0 H SER A 87 7.380 2.050 3.856 1.00 0.00 H new ATOM 0 HA SER A 87 9.810 2.843 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.844 1.255 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.361 2.058 2.293 1.00 0.00 H new ATOM 0 HG SER A 87 9.810 0.339 4.530 1.00 0.00 H new ATOM 1261 N SER A 88 9.116 4.399 2.073 1.00 0.00 N ATOM 1262 CA SER A 88 9.386 5.600 1.300 1.00 0.00 C ATOM 1263 C SER A 88 8.079 6.343 1.015 1.00 0.00 C ATOM 1264 O SER A 88 6.995 5.784 1.176 1.00 0.00 O ATOM 1265 CB SER A 88 10.101 5.262 -0.010 1.00 0.00 C ATOM 1266 OG SER A 88 11.175 6.159 -0.278 1.00 0.00 O ATOM 0 H SER A 88 8.485 3.735 1.624 1.00 0.00 H new ATOM 0 HA SER A 88 10.043 6.244 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.483 4.242 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.386 5.296 -0.832 1.00 0.00 H new ATOM 0 HG SER A 88 11.607 5.909 -1.121 1.00 0.00 H new ATOM 1272 N ARG A 89 8.225 7.592 0.598 1.00 0.00 N ATOM 1273 CA ARG A 89 7.070 8.418 0.289 1.00 0.00 C ATOM 1274 C ARG A 89 6.444 7.980 -1.037 1.00 0.00 C ATOM 1275 O ARG A 89 5.308 7.510 -1.065 1.00 0.00 O ATOM 1276 CB ARG A 89 7.457 9.895 0.199 1.00 0.00 C ATOM 1277 CG ARG A 89 8.264 10.326 1.425 1.00 0.00 C ATOM 1278 CD ARG A 89 7.387 10.352 2.678 1.00 0.00 C ATOM 1279 NE ARG A 89 7.984 11.244 3.697 1.00 0.00 N ATOM 1280 CZ ARG A 89 8.994 10.891 4.504 1.00 0.00 C ATOM 1281 NH1 ARG A 89 9.524 9.664 4.417 1.00 0.00 N ATOM 1282 NH2 ARG A 89 9.473 11.766 5.399 1.00 0.00 N ATOM 0 H ARG A 89 9.126 8.052 0.467 1.00 0.00 H new ATOM 0 HA ARG A 89 6.347 8.292 1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.042 10.067 -0.705 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.558 10.506 0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.098 9.641 1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.690 11.315 1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.385 10.697 2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.284 9.344 3.081 1.00 0.00 H new ATOM 0 HE ARG A 89 7.603 12.186 3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.159 8.998 3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.293 9.396 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.069 12.700 5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.242 11.498 6.013 1.00 0.00 H new ATOM 1296 N SER A 90 7.213 8.150 -2.102 1.00 0.00 N ATOM 1297 CA SER A 90 6.748 7.779 -3.428 1.00 0.00 C ATOM 1298 C SER A 90 6.925 6.274 -3.642 1.00 0.00 C ATOM 1299 O SER A 90 8.035 5.755 -3.534 1.00 0.00 O ATOM 1300 CB SER A 90 7.492 8.560 -4.512 1.00 0.00 C ATOM 1301 OG SER A 90 7.809 9.885 -4.093 1.00 0.00 O ATOM 0 H SER A 90 8.155 8.540 -2.074 1.00 0.00 H new ATOM 0 HA SER A 90 5.689 8.029 -3.501 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.410 8.033 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.881 8.601 -5.413 1.00 0.00 H new ATOM 0 HG SER A 90 8.285 10.350 -4.812 1.00 0.00 H new ATOM 1307 N LEU A 91 5.814 5.616 -3.942 1.00 0.00 N ATOM 1308 CA LEU A 91 5.833 4.182 -4.172 1.00 0.00 C ATOM 1309 C LEU A 91 4.888 3.843 -5.327 1.00 0.00 C ATOM 1310 O LEU A 91 3.885 4.524 -5.533 1.00 0.00 O ATOM 1311 CB LEU A 91 5.520 3.427 -2.879 1.00 0.00 C ATOM 1312 CG LEU A 91 6.424 3.739 -1.684 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.603 4.227 -0.489 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.296 2.534 -1.327 1.00 0.00 C ATOM 0 H LEU A 91 4.895 6.050 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 91 6.830 3.857 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.490 3.643 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.577 2.358 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 91 7.096 4.550 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.269 4.442 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.063 5.133 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.891 3.455 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.929 2.782 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.659 1.687 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.922 2.273 -2.180 1.00 0.00 H new ATOM 1326 N THR A 92 5.242 2.790 -6.049 1.00 0.00 N ATOM 1327 CA THR A 92 4.438 2.352 -7.177 1.00 0.00 C ATOM 1328 C THR A 92 3.646 1.095 -6.812 1.00 0.00 C ATOM 1329 O THR A 92 4.192 -0.008 -6.810 1.00 0.00 O ATOM 1330 CB THR A 92 5.370 2.157 -8.374 1.00 0.00 C ATOM 1331 OG1 THR A 92 5.722 3.482 -8.760 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.642 1.594 -9.597 1.00 0.00 C ATOM 0 H THR A 92 6.075 2.227 -5.875 1.00 0.00 H new ATOM 0 HA THR A 92 3.693 3.100 -7.446 1.00 0.00 H new ATOM 0 HB THR A 92 6.183 1.487 -8.095 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.908 4.010 -8.898 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.349 1.475 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.208 0.626 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.850 2.280 -9.897 1.00 0.00 H new ATOM 1340 N ILE A 93 2.373 1.302 -6.511 1.00 0.00 N ATOM 1341 CA ILE A 93 1.501 0.199 -6.145 1.00 0.00 C ATOM 1342 C ILE A 93 0.856 -0.376 -7.407 1.00 0.00 C ATOM 1343 O ILE A 93 0.489 0.367 -8.315 1.00 0.00 O ATOM 1344 CB ILE A 93 0.490 0.644 -5.086 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.199 1.129 -3.820 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.518 -0.468 -4.789 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.352 2.166 -3.080 1.00 0.00 C ATOM 0 H ILE A 93 1.924 2.218 -6.513 1.00 0.00 H new ATOM 0 HA ILE A 93 2.076 -0.605 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.071 1.489 -5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.399 0.282 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.164 1.563 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.225 -0.126 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.057 -0.723 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.009 -1.348 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.879 2.494 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.175 3.022 -3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.602 1.722 -2.797 1.00 0.00 H new ATOM 1359 N SER A 94 0.738 -1.696 -7.424 1.00 0.00 N ATOM 1360 CA SER A 94 0.144 -2.380 -8.560 1.00 0.00 C ATOM 1361 C SER A 94 -1.072 -3.190 -8.106 1.00 0.00 C ATOM 1362 O SER A 94 -0.925 -4.257 -7.512 1.00 0.00 O ATOM 1363 CB SER A 94 1.162 -3.292 -9.248 1.00 0.00 C ATOM 1364 OG SER A 94 1.374 -2.925 -10.608 1.00 0.00 O ATOM 0 H SER A 94 1.044 -2.310 -6.669 1.00 0.00 H new ATOM 0 HA SER A 94 -0.177 -1.629 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.109 -3.250 -8.709 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.814 -4.324 -9.201 1.00 0.00 H new ATOM 0 HG SER A 94 2.031 -3.530 -11.011 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.246 -2.651 -8.402 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.486 -3.310 -8.032 1.00 0.00 C ATOM 1372 C ILE A 95 -4.054 -4.041 -9.250 1.00 0.00 C ATOM 1373 O ILE A 95 -3.609 -3.818 -10.375 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.459 -2.309 -7.407 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.698 -1.121 -8.340 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.976 -1.864 -6.025 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -6.193 -0.920 -8.601 1.00 0.00 C ATOM 0 H ILE A 95 -2.364 -1.765 -8.894 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.303 -4.063 -7.265 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.418 -2.807 -7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.278 -0.217 -7.899 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.179 -1.286 -9.284 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.686 -1.153 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.899 -2.732 -5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.999 -1.390 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.335 -0.069 -9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.605 -1.816 -9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.705 -0.731 -7.657 1.00 0.00 H new ATOM 1389 N VAL A 96 -5.028 -4.899 -8.985 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.661 -5.664 -10.046 1.00 0.00 C ATOM 1391 C VAL A 96 -7.077 -5.130 -10.278 1.00 0.00 C ATOM 1392 O VAL A 96 -7.975 -5.885 -10.650 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.633 -7.155 -9.705 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.437 -7.966 -10.723 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.195 -7.668 -9.608 1.00 0.00 C ATOM 0 H VAL A 96 -5.394 -5.081 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.112 -5.548 -10.980 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.102 -7.284 -8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.401 -9.022 -10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.473 -7.627 -10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.011 -7.827 -11.717 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.203 -8.730 -9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.690 -7.518 -10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.665 -7.121 -8.828 1.00 0.00 H new ATOM 1405 N ALA A 97 -7.231 -3.835 -10.050 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.522 -3.192 -10.229 1.00 0.00 C ATOM 1407 C ALA A 97 -9.605 -4.033 -9.549 1.00 0.00 C ATOM 1408 O ALA A 97 -10.113 -4.987 -10.135 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.790 -2.993 -11.722 1.00 0.00 C ATOM 0 H ALA A 97 -6.483 -3.213 -9.743 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.528 -2.207 -9.762 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.758 -2.511 -11.857 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -8.009 -2.365 -12.151 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.794 -3.961 -12.223 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.925 -3.647 -8.323 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.938 -4.353 -7.557 1.00 0.00 C ATOM 1417 C ALA A 98 -10.700 -5.860 -7.672 1.00 0.00 C ATOM 1418 O ALA A 98 -11.576 -6.599 -8.118 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.328 -3.944 -8.048 1.00 0.00 C ATOM 0 H ALA A 98 -9.501 -2.854 -7.841 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.874 -4.088 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -13.087 -4.474 -7.473 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.458 -2.870 -7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.430 -4.197 -9.103 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.509 -6.272 -7.262 1.00 0.00 N ATOM 1426 CA ALA A 99 -9.144 -7.677 -7.314 1.00 0.00 C ATOM 1427 C ALA A 99 -10.054 -8.471 -6.374 1.00 0.00 C ATOM 1428 O ALA A 99 -10.791 -9.352 -6.815 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.664 -7.834 -6.961 1.00 0.00 C ATOM 0 H ALA A 99 -8.784 -5.657 -6.892 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.283 -8.072 -8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.390 -8.888 -7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.058 -7.275 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.487 -7.450 -5.956 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.973 -8.130 -5.096 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.781 -8.800 -4.090 1.00 0.00 C ATOM 1437 C GLY A 100 -11.838 -7.854 -3.517 1.00 0.00 C ATOM 1438 O GLY A 100 -11.854 -7.590 -2.316 1.00 0.00 O ATOM 0 H GLY A 100 -9.361 -7.399 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.267 -9.671 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.140 -9.164 -3.287 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.695 -7.370 -4.404 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.754 -6.459 -4.001 1.00 0.00 C ATOM 1444 C ARG A 101 -14.829 -7.210 -3.214 1.00 0.00 C ATOM 1445 O ARG A 101 -15.546 -6.614 -2.412 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.396 -5.789 -5.218 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.204 -4.272 -5.173 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.408 -3.549 -5.781 1.00 0.00 C ATOM 1449 NE ARG A 101 -16.085 -2.736 -4.745 1.00 0.00 N ATOM 1450 CZ ARG A 101 -17.228 -2.067 -4.945 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -17.829 -2.109 -6.142 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -17.771 -1.355 -3.948 1.00 0.00 N ATOM 0 H ARG A 101 -12.678 -7.591 -5.400 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.308 -5.690 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.956 -6.188 -6.132 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.460 -6.024 -5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.065 -3.950 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.299 -4.000 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -15.083 -2.910 -6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -16.106 -4.275 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.654 -2.682 -3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -17.416 -2.651 -6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -18.699 -1.599 -6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.314 -1.322 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -18.641 -0.846 -4.100 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.908 -8.508 -3.470 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.884 -9.346 -2.795 1.00 0.00 C ATOM 1468 C GLU A 102 -15.507 -9.519 -1.322 1.00 0.00 C ATOM 1469 O GLU A 102 -16.363 -9.817 -0.490 1.00 0.00 O ATOM 1470 CB GLU A 102 -16.014 -10.703 -3.490 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.665 -11.421 -3.550 1.00 0.00 C ATOM 1472 CD GLU A 102 -14.366 -11.910 -4.968 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -14.967 -12.936 -5.353 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -13.543 -11.247 -5.636 1.00 0.00 O ATOM 0 H GLU A 102 -14.312 -9.000 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.855 -8.853 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.735 -11.321 -2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.400 -10.563 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.875 -10.746 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.669 -12.267 -2.863 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.226 -9.324 -1.045 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.726 -9.454 0.313 1.00 0.00 C ATOM 1483 C LEU A 103 -14.412 -8.417 1.205 1.00 0.00 C ATOM 1484 O LEU A 103 -14.461 -8.578 2.424 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.199 -9.368 0.332 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.451 -10.652 -0.032 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -9.937 -10.437 0.016 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.892 -11.815 0.860 1.00 0.00 C ATOM 0 H LEU A 103 -13.519 -9.077 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.972 -10.436 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.890 -8.583 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.885 -9.058 1.329 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.707 -10.917 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.429 -11.365 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.658 -9.657 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.644 -10.135 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.345 -12.716 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.684 -11.573 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.961 -11.986 0.733 1.00 0.00 H new ATOM 1500 N PHE A 104 -14.922 -7.376 0.564 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.603 -6.313 1.285 1.00 0.00 C ATOM 1502 C PHE A 104 -17.063 -6.198 0.842 1.00 0.00 C ATOM 1503 O PHE A 104 -17.542 -5.102 0.554 1.00 0.00 O ATOM 1504 CB PHE A 104 -14.875 -5.010 0.950 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.366 -5.058 1.196 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -12.867 -4.748 2.422 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.524 -5.411 0.188 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.466 -4.793 2.651 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.123 -5.456 0.417 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.624 -5.146 1.643 1.00 0.00 C ATOM 0 H PHE A 104 -14.878 -7.245 -0.447 1.00 0.00 H new ATOM 0 HA PHE A 104 -15.592 -6.522 2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.054 -4.765 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.304 -4.203 1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.536 -4.467 3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.920 -5.657 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.070 -4.547 3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.454 -5.737 -0.383 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.559 -5.180 1.817 1.00 0.00 H new